----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:24:18]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.533083500069637 0.000000000000000 0.000000000000000 b 0.000000000000000 4.923893149999999 0.000000000000000 c -4.777209849261962 0.000000000000000 8.901408242401182 Atomic positions (fractional): *1 Li 0.28345800372800 0.38818135879410 0.67214152796929 6.941 2 Li 0.71654199627200 0.88818135879410 0.82785847203071 6.941 3 Li 0.71654199627200 0.61181864120590 0.32785847203071 6.941 4 Li 0.28345800372800 0.11181864120590 0.17214152796929 6.941 *5 Li 0.27487495725083 0.65715295928783 0.97046428382357 6.941 6 Li 0.72512504274917 0.15715295928783 0.52953571617643 6.941 7 Li 0.72512504274917 0.34284704071217 0.02953571617643 6.941 8 Li 0.27487495725083 0.84284704071217 0.47046428382357 6.941 *9 P 0.18368039441035 0.89311228104855 0.70638924172477 30.974 10 P 0.81631960558965 0.39311228104855 0.79361075827523 30.974 11 P 0.81631960558965 0.10688771895145 0.29361075827523 30.974 12 P 0.18368039441035 0.60688771895145 0.20638924172477 30.974 *13 P 0.20015193708478 0.15471481398186 0.88995911668982 30.974 14 P 0.79984806291522 0.65471481398186 0.61004088331018 30.974 15 P 0.79984806291522 0.84528518601814 0.11004088331018 30.974 16 P 0.20015193708478 0.34528518601814 0.38995911668982 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.533083500069637 0.000000000000000 0.000000000000000 b 0.000000000000000 4.923893149999999 0.000000000000000 c -4.777209849261962 0.000000000000000 8.901408242401182 Atomic positions (fractional): *1 Li 0.28345800372800 0.38818135879410 0.67214152796929 6.941 > 1 2 Li 0.71654199627200 0.88818135879410 0.82785847203071 6.941 > 2 3 Li 0.71654199627200 0.61181864120590 0.32785847203071 6.941 > 3 4 Li 0.28345800372800 0.11181864120590 0.17214152796929 6.941 > 4 *5 Li 0.27487495725083 0.65715295928783 0.97046428382357 6.941 > 5 6 Li 0.72512504274917 0.15715295928783 0.52953571617643 6.941 > 6 7 Li 0.72512504274917 0.34284704071217 0.02953571617643 6.941 > 7 8 Li 0.27487495725083 0.84284704071217 0.47046428382357 6.941 > 8 *9 P 0.18368039441035 0.89311228104855 0.70638924172477 30.974 > 9 10 P 0.81631960558965 0.39311228104855 0.79361075827523 30.974 > 10 11 P 0.81631960558965 0.10688771895145 0.29361075827523 30.974 > 11 12 P 0.18368039441035 0.60688771895145 0.20638924172477 30.974 > 12 *13 P 0.20015193708478 0.15471481398186 0.88995911668982 30.974 > 13 14 P 0.79984806291522 0.65471481398186 0.61004088331018 30.974 > 14 15 P 0.79984806291522 0.84528518601814 0.11004088331018 30.974 > 15 16 P 0.20015193708478 0.34528518601814 0.38995911668982 30.974 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.066167000139274 0.000000000000000 0.000000000000000 b 0.000000000000000 14.771679449999997 0.000000000000000 c -4.777209849261962 0.000000000000000 8.901408242401182 Atomic positions (fractional): *1 Li 0.14172900186400 0.12939378626470 0.67214152796929 6.941 > 1 2 Li 0.64172900186400 0.12939378626470 0.67214152796929 6.941 > 1 3 Li 0.14172900186400 0.46272711959803 0.67214152796929 6.941 > 1 4 Li 0.64172900186400 0.46272711959803 0.67214152796929 6.941 > 1 5 Li 0.14172900186400 0.79606045293137 0.67214152796929 6.941 > 1 6 Li 0.64172900186400 0.79606045293137 0.67214152796929 6.941 > 1 7 Li 0.35827099813600 0.29606045293137 0.82785847203071 6.941 > 2 8 Li 0.85827099813600 0.29606045293137 0.82785847203071 6.941 > 2 9 Li 0.35827099813600 0.62939378626470 0.82785847203071 6.941 > 2 10 Li 0.85827099813600 0.62939378626470 0.82785847203071 6.941 > 2 11 Li 0.35827099813600 0.96272711959803 0.82785847203071 6.941 > 2 12 Li 0.85827099813600 0.96272711959803 0.82785847203071 6.941 > 2 13 Li 0.35827099813600 0.20393954706863 0.32785847203071 6.941 > 3 14 Li 0.85827099813600 0.20393954706863 0.32785847203071 6.941 > 3 15 Li 0.35827099813600 0.53727288040197 0.32785847203071 6.941 > 3 16 Li 0.85827099813600 0.53727288040197 0.32785847203071 6.941 > 3 17 Li 0.35827099813600 0.87060621373530 0.32785847203071 6.941 > 3 18 Li 0.85827099813600 0.87060621373530 0.32785847203071 6.941 > 3 19 Li 0.14172900186400 0.03727288040197 0.17214152796929 6.941 > 4 20 Li 0.64172900186400 0.03727288040197 0.17214152796929 6.941 > 4 21 Li 0.14172900186400 0.37060621373530 0.17214152796929 6.941 > 4 22 Li 0.64172900186400 0.37060621373530 0.17214152796929 6.941 > 4 23 Li 0.14172900186400 0.70393954706863 0.17214152796929 6.941 > 4 24 Li 0.64172900186400 0.70393954706863 0.17214152796929 6.941 > 4 *25 Li 0.13743747862541 0.21905098642928 0.97046428382357 6.941 > 5 26 Li 0.63743747862541 0.21905098642928 0.97046428382357 6.941 > 5 27 Li 0.13743747862541 0.55238431976261 0.97046428382357 6.941 > 5 28 Li 0.63743747862541 0.55238431976261 0.97046428382357 6.941 > 5 29 Li 0.13743747862541 0.88571765309594 0.97046428382357 6.941 > 5 30 Li 0.63743747862541 0.88571765309594 0.97046428382357 6.941 > 5 31 Li 0.36256252137459 0.05238431976261 0.52953571617643 6.941 > 6 32 Li 0.86256252137459 0.05238431976261 0.52953571617643 6.941 > 6 33 Li 0.36256252137459 0.38571765309594 0.52953571617643 6.941 > 6 34 Li 0.86256252137459 0.38571765309594 0.52953571617643 6.941 > 6 35 Li 0.36256252137459 0.71905098642928 0.52953571617643 6.941 > 6 36 Li 0.86256252137459 0.71905098642928 0.52953571617643 6.941 > 6 37 Li 0.36256252137459 0.11428234690406 0.02953571617643 6.941 > 7 38 Li 0.86256252137459 0.11428234690406 0.02953571617643 6.941 > 7 39 Li 0.36256252137459 0.44761568023739 0.02953571617643 6.941 > 7 40 Li 0.86256252137459 0.44761568023739 0.02953571617643 6.941 > 7 41 Li 0.36256252137459 0.78094901357072 0.02953571617643 6.941 > 7 42 Li 0.86256252137459 0.78094901357072 0.02953571617643 6.941 > 7 43 Li 0.13743747862541 0.28094901357072 0.47046428382357 6.941 > 8 44 Li 0.63743747862541 0.28094901357072 0.47046428382357 6.941 > 8 45 Li 0.13743747862541 0.61428234690406 0.47046428382357 6.941 > 8 46 Li 0.63743747862541 0.61428234690406 0.47046428382357 6.941 > 8 47 Li 0.13743747862541 0.94761568023739 0.47046428382357 6.941 > 8 48 Li 0.63743747862541 0.94761568023739 0.47046428382357 6.941 > 8 *49 P 0.09184019720518 0.29770409368285 0.70638924172477 30.974 > 9 50 P 0.59184019720518 0.29770409368285 0.70638924172477 30.974 > 9 51 P 0.09184019720518 0.63103742701618 0.70638924172477 30.974 > 9 52 P 0.59184019720518 0.63103742701618 0.70638924172477 30.974 > 9 53 P 0.09184019720518 0.96437076034952 0.70638924172477 30.974 > 9 54 P 0.59184019720518 0.96437076034952 0.70638924172477 30.974 > 9 55 P 0.40815980279482 0.13103742701618 0.79361075827523 30.974 > 10 56 P 0.90815980279482 0.13103742701618 0.79361075827523 30.974 > 10 57 P 0.40815980279482 0.46437076034952 0.79361075827523 30.974 > 10 58 P 0.90815980279482 0.46437076034952 0.79361075827523 30.974 > 10 59 P 0.40815980279482 0.79770409368285 0.79361075827523 30.974 > 10 60 P 0.90815980279482 0.79770409368285 0.79361075827523 30.974 > 10 61 P 0.40815980279482 0.03562923965048 0.29361075827523 30.974 > 11 62 P 0.90815980279482 0.03562923965048 0.29361075827523 30.974 > 11 63 P 0.40815980279482 0.36896257298382 0.29361075827523 30.974 > 11 64 P 0.90815980279482 0.36896257298382 0.29361075827523 30.974 > 11 65 P 0.40815980279482 0.70229590631715 0.29361075827523 30.974 > 11 66 P 0.90815980279482 0.70229590631715 0.29361075827523 30.974 > 11 67 P 0.09184019720518 0.20229590631715 0.20638924172477 30.974 > 12 68 P 0.59184019720518 0.20229590631715 0.20638924172477 30.974 > 12 69 P 0.09184019720518 0.53562923965048 0.20638924172477 30.974 > 12 70 P 0.59184019720518 0.53562923965048 0.20638924172477 30.974 > 12 71 P 0.09184019720518 0.86896257298382 0.20638924172477 30.974 > 12 72 P 0.59184019720518 0.86896257298382 0.20638924172477 30.974 > 12 *73 P 0.10007596854239 0.05157160466062 0.88995911668982 30.974 > 13 74 P 0.60007596854239 0.05157160466062 0.88995911668982 30.974 > 13 75 P 0.10007596854239 0.38490493799395 0.88995911668982 30.974 > 13 76 P 0.60007596854239 0.38490493799395 0.88995911668982 30.974 > 13 77 P 0.10007596854239 0.71823827132729 0.88995911668982 30.974 > 13 78 P 0.60007596854239 0.71823827132729 0.88995911668982 30.974 > 13 79 P 0.39992403145761 0.21823827132729 0.61004088331018 30.974 > 14 80 P 0.89992403145761 0.21823827132729 0.61004088331018 30.974 > 14 81 P 0.39992403145761 0.55157160466062 0.61004088331018 30.974 > 14 82 P 0.89992403145761 0.55157160466062 0.61004088331018 30.974 > 14 83 P 0.39992403145761 0.88490493799395 0.61004088331018 30.974 > 14 84 P 0.89992403145761 0.88490493799395 0.61004088331018 30.974 > 14 85 P 0.39992403145761 0.28176172867271 0.11004088331018 30.974 > 15 86 P 0.89992403145761 0.28176172867271 0.11004088331018 30.974 > 15 87 P 0.39992403145761 0.61509506200605 0.11004088331018 30.974 > 15 88 P 0.89992403145761 0.61509506200605 0.11004088331018 30.974 > 15 89 P 0.39992403145761 0.94842839533938 0.11004088331018 30.974 > 15 90 P 0.89992403145761 0.94842839533938 0.11004088331018 30.974 > 15 91 P 0.10007596854239 0.11509506200605 0.38995911668982 30.974 > 16 92 P 0.60007596854239 0.11509506200605 0.38995911668982 30.974 > 16 93 P 0.10007596854239 0.44842839533938 0.38995911668982 30.974 > 16 94 P 0.60007596854239 0.44842839533938 0.38995911668982 30.974 > 16 95 P 0.10007596854239 0.78176172867271 0.38995911668982 30.974 > 16 96 P 0.60007596854239 0.78176172867271 0.38995911668982 30.974 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.6300827 0.0000000 0.0469693 0.0000000 12.8148489 0.0000000 0.0470137 0.0000000 12.5298404 -------------------------- Born effective charges -------------------------- 1 Li 1.4413445 0.0153993 -0.0747749 -0.0705032 1.2371474 -0.2174598 -0.2042029 0.0654354 1.0278795 2 Li 1.4413445 -0.0153993 -0.0747749 0.0705032 1.2371474 0.2174598 -0.2042029 -0.0654354 1.0278795 3 Li 1.4413445 0.0153993 -0.0747749 -0.0705032 1.2371474 -0.2174598 -0.2042029 0.0654354 1.0278795 4 Li 1.4413445 -0.0153993 -0.0747749 0.0705032 1.2371474 0.2174598 -0.2042029 -0.0654354 1.0278795 5 Li 0.9885410 0.1375118 -0.0442281 0.2867791 1.3357587 -0.0464999 0.0331321 0.0549962 1.4672451 6 Li 0.9885410 -0.1375118 -0.0442281 -0.2867791 1.3357587 0.0464999 0.0331321 -0.0549962 1.4672451 7 Li 0.9885410 0.1375118 -0.0442281 0.2867791 1.3357587 -0.0464999 0.0331321 0.0549962 1.4672451 8 Li 0.9885410 -0.1375118 -0.0442281 -0.2867791 1.3357587 0.0464999 0.0331321 -0.0549962 1.4672451 9 P -1.2266500 0.2473339 0.0671766 0.1463403 -1.2833737 0.1439393 -0.0168173 0.3093853 -1.4231241 10 P -1.2266500 -0.2473339 0.0671766 -0.1463403 -1.2833737 -0.1439393 -0.0168173 -0.3093853 -1.4231241 11 P -1.2266500 0.2473339 0.0671766 0.1463403 -1.2833737 0.1439393 -0.0168173 0.3093853 -1.4231241 12 P -1.2266500 -0.2473339 0.0671766 -0.1463403 -1.2833737 -0.1439393 -0.0168173 -0.3093853 -1.4231241 13 P -1.2032354 -0.5346019 0.0518263 -0.3645383 -1.2895324 -0.0301054 0.1878881 0.1709137 -1.0720005 14 P -1.2032354 0.5346019 0.0518263 0.3645383 -1.2895324 0.0301054 0.1878881 -0.1709137 -1.0720005 15 P -1.2032354 -0.5346019 0.0518263 -0.3645383 -1.2895324 -0.0301054 0.1878881 0.1709137 -1.0720005 16 P -1.2032354 0.5346019 0.0518263 0.3645383 -1.2895324 0.0301054 0.1878881 -0.1709137 -1.0720005 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1824 Number of blocks in projector: 1824 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1824, 1789), data: False |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True |-- (384, 376), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.498 Solver_block: 200 / 480 - Time: 2.454 Solver_block: 300 / 480 - Time: 2.454 Solver_block: 400 / 480 - Time: 2.448 Solver_block: 480 / 480 - Time: 1.984 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.883 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1824 Number of blocks in projector: 1824 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1824, 1789), data: False |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True |-- (384, 376), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:24:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:24:48]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.533083500069637 0.000000000000000 0.000000000000000 b 0.000000000000000 4.923893149999999 0.000000000000000 c -4.777209849261962 0.000000000000000 8.901408242401182 Atomic positions (fractional): 1 Li 0.28345800372800 0.38818135879410 0.67214152796929 6.941 2 Li 0.71654199627200 0.88818135879410 0.82785847203071 6.941 3 Li 0.71654199627200 0.61181864120590 0.32785847203071 6.941 4 Li 0.28345800372800 0.11181864120590 0.17214152796929 6.941 5 Li 0.27487495725083 0.65715295928783 0.97046428382357 6.941 6 Li 0.72512504274917 0.15715295928783 0.52953571617643 6.941 7 Li 0.72512504274917 0.34284704071217 0.02953571617643 6.941 8 Li 0.27487495725083 0.84284704071217 0.47046428382357 6.941 9 P 0.18368039441035 0.89311228104855 0.70638924172477 30.974 10 P 0.81631960558965 0.39311228104855 0.79361075827523 30.974 11 P 0.81631960558965 0.10688771895145 0.29361075827523 30.974 12 P 0.18368039441035 0.60688771895145 0.20638924172477 30.974 13 P 0.20015193708478 0.15471481398186 0.88995911668982 30.974 14 P 0.79984806291522 0.65471481398186 0.61004088331018 30.974 15 P 0.79984806291522 0.84528518601814 0.11004088331018 30.974 16 P 0.20015193708478 0.34528518601814 0.38995911668982 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.066167000139274 0.000000000000000 0.000000000000000 b 0.000000000000000 14.771679449999997 0.000000000000000 c -4.777209849261962 0.000000000000000 8.901408242401182 Atomic positions (fractional): 1 Li 0.14172900186400 0.12939378626470 0.67214152796929 6.941 > 1 2 Li 0.64172900186400 0.12939378626470 0.67214152796929 6.941 > 1 3 Li 0.14172900186400 0.46272711959803 0.67214152796929 6.941 > 1 4 Li 0.64172900186400 0.46272711959803 0.67214152796929 6.941 > 1 5 Li 0.14172900186400 0.79606045293137 0.67214152796929 6.941 > 1 6 Li 0.64172900186400 0.79606045293137 0.67214152796929 6.941 > 1 7 Li 0.35827099813600 0.29606045293137 0.82785847203071 6.941 > 7 8 Li 0.85827099813600 0.29606045293137 0.82785847203071 6.941 > 7 9 Li 0.35827099813600 0.62939378626470 0.82785847203071 6.941 > 7 10 Li 0.85827099813600 0.62939378626470 0.82785847203071 6.941 > 7 11 Li 0.35827099813600 0.96272711959803 0.82785847203071 6.941 > 7 12 Li 0.85827099813600 0.96272711959803 0.82785847203071 6.941 > 7 13 Li 0.35827099813600 0.20393954706863 0.32785847203071 6.941 > 13 14 Li 0.85827099813600 0.20393954706863 0.32785847203071 6.941 > 13 15 Li 0.35827099813600 0.53727288040197 0.32785847203071 6.941 > 13 16 Li 0.85827099813600 0.53727288040197 0.32785847203071 6.941 > 13 17 Li 0.35827099813600 0.87060621373530 0.32785847203071 6.941 > 13 18 Li 0.85827099813600 0.87060621373530 0.32785847203071 6.941 > 13 19 Li 0.14172900186400 0.03727288040197 0.17214152796929 6.941 > 19 20 Li 0.64172900186400 0.03727288040197 0.17214152796929 6.941 > 19 21 Li 0.14172900186400 0.37060621373530 0.17214152796929 6.941 > 19 22 Li 0.64172900186400 0.37060621373530 0.17214152796929 6.941 > 19 23 Li 0.14172900186400 0.70393954706863 0.17214152796929 6.941 > 19 24 Li 0.64172900186400 0.70393954706863 0.17214152796929 6.941 > 19 25 Li 0.13743747862541 0.21905098642928 0.97046428382357 6.941 > 25 26 Li 0.63743747862541 0.21905098642928 0.97046428382357 6.941 > 25 27 Li 0.13743747862541 0.55238431976261 0.97046428382357 6.941 > 25 28 Li 0.63743747862541 0.55238431976261 0.97046428382357 6.941 > 25 29 Li 0.13743747862541 0.88571765309594 0.97046428382357 6.941 > 25 30 Li 0.63743747862541 0.88571765309594 0.97046428382357 6.941 > 25 31 Li 0.36256252137459 0.05238431976261 0.52953571617643 6.941 > 31 32 Li 0.86256252137459 0.05238431976261 0.52953571617643 6.941 > 31 33 Li 0.36256252137459 0.38571765309594 0.52953571617643 6.941 > 31 34 Li 0.86256252137459 0.38571765309594 0.52953571617643 6.941 > 31 35 Li 0.36256252137459 0.71905098642928 0.52953571617643 6.941 > 31 36 Li 0.86256252137459 0.71905098642928 0.52953571617643 6.941 > 31 37 Li 0.36256252137459 0.11428234690406 0.02953571617643 6.941 > 37 38 Li 0.86256252137459 0.11428234690406 0.02953571617643 6.941 > 37 39 Li 0.36256252137459 0.44761568023739 0.02953571617643 6.941 > 37 40 Li 0.86256252137459 0.44761568023739 0.02953571617643 6.941 > 37 41 Li 0.36256252137459 0.78094901357072 0.02953571617643 6.941 > 37 42 Li 0.86256252137459 0.78094901357072 0.02953571617643 6.941 > 37 43 Li 0.13743747862541 0.28094901357072 0.47046428382357 6.941 > 43 44 Li 0.63743747862541 0.28094901357072 0.47046428382357 6.941 > 43 45 Li 0.13743747862541 0.61428234690406 0.47046428382357 6.941 > 43 46 Li 0.63743747862541 0.61428234690406 0.47046428382357 6.941 > 43 47 Li 0.13743747862541 0.94761568023739 0.47046428382357 6.941 > 43 48 Li 0.63743747862541 0.94761568023739 0.47046428382357 6.941 > 43 49 P 0.09184019720518 0.29770409368285 0.70638924172477 30.974 > 49 50 P 0.59184019720518 0.29770409368285 0.70638924172477 30.974 > 49 51 P 0.09184019720518 0.63103742701618 0.70638924172477 30.974 > 49 52 P 0.59184019720518 0.63103742701618 0.70638924172477 30.974 > 49 53 P 0.09184019720518 0.96437076034952 0.70638924172477 30.974 > 49 54 P 0.59184019720518 0.96437076034952 0.70638924172477 30.974 > 49 55 P 0.40815980279482 0.13103742701618 0.79361075827523 30.974 > 55 56 P 0.90815980279482 0.13103742701618 0.79361075827523 30.974 > 55 57 P 0.40815980279482 0.46437076034952 0.79361075827523 30.974 > 55 58 P 0.90815980279482 0.46437076034952 0.79361075827523 30.974 > 55 59 P 0.40815980279482 0.79770409368285 0.79361075827523 30.974 > 55 60 P 0.90815980279482 0.79770409368285 0.79361075827523 30.974 > 55 61 P 0.40815980279482 0.03562923965048 0.29361075827523 30.974 > 61 62 P 0.90815980279482 0.03562923965048 0.29361075827523 30.974 > 61 63 P 0.40815980279482 0.36896257298382 0.29361075827523 30.974 > 61 64 P 0.90815980279482 0.36896257298382 0.29361075827523 30.974 > 61 65 P 0.40815980279482 0.70229590631715 0.29361075827523 30.974 > 61 66 P 0.90815980279482 0.70229590631715 0.29361075827523 30.974 > 61 67 P 0.09184019720518 0.20229590631715 0.20638924172477 30.974 > 67 68 P 0.59184019720518 0.20229590631715 0.20638924172477 30.974 > 67 69 P 0.09184019720518 0.53562923965048 0.20638924172477 30.974 > 67 70 P 0.59184019720518 0.53562923965048 0.20638924172477 30.974 > 67 71 P 0.09184019720518 0.86896257298382 0.20638924172477 30.974 > 67 72 P 0.59184019720518 0.86896257298382 0.20638924172477 30.974 > 67 73 P 0.10007596854239 0.05157160466062 0.88995911668982 30.974 > 73 74 P 0.60007596854239 0.05157160466062 0.88995911668982 30.974 > 73 75 P 0.10007596854239 0.38490493799395 0.88995911668982 30.974 > 73 76 P 0.60007596854239 0.38490493799395 0.88995911668982 30.974 > 73 77 P 0.10007596854239 0.71823827132729 0.88995911668982 30.974 > 73 78 P 0.60007596854239 0.71823827132729 0.88995911668982 30.974 > 73 79 P 0.39992403145761 0.21823827132729 0.61004088331018 30.974 > 79 80 P 0.89992403145761 0.21823827132729 0.61004088331018 30.974 > 79 81 P 0.39992403145761 0.55157160466062 0.61004088331018 30.974 > 79 82 P 0.89992403145761 0.55157160466062 0.61004088331018 30.974 > 79 83 P 0.39992403145761 0.88490493799395 0.61004088331018 30.974 > 79 84 P 0.89992403145761 0.88490493799395 0.61004088331018 30.974 > 79 85 P 0.39992403145761 0.28176172867271 0.11004088331018 30.974 > 85 86 P 0.89992403145761 0.28176172867271 0.11004088331018 30.974 > 85 87 P 0.39992403145761 0.61509506200605 0.11004088331018 30.974 > 85 88 P 0.89992403145761 0.61509506200605 0.11004088331018 30.974 > 85 89 P 0.39992403145761 0.94842839533938 0.11004088331018 30.974 > 85 90 P 0.89992403145761 0.94842839533938 0.11004088331018 30.974 > 85 91 P 0.10007596854239 0.11509506200605 0.38995911668982 30.974 > 91 92 P 0.60007596854239 0.11509506200605 0.38995911668982 30.974 > 91 93 P 0.10007596854239 0.44842839533938 0.38995911668982 30.974 > 91 94 P 0.60007596854239 0.44842839533938 0.38995911668982 30.974 > 91 95 P 0.10007596854239 0.78176172867271 0.38995911668982 30.974 > 91 96 P 0.60007596854239 0.78176172867271 0.38995911668982 30.974 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.6300827 0.0000000 0.0469693 0.0000000 12.8148489 0.0000000 0.0470137 0.0000000 12.5298404 -------------------------- Born effective charges -------------------------- 1 Li 1.4413445 0.0153993 -0.0747749 -0.0705032 1.2371474 -0.2174598 -0.2042029 0.0654354 1.0278795 2 Li 1.4413445 -0.0153993 -0.0747749 0.0705032 1.2371474 0.2174598 -0.2042029 -0.0654354 1.0278795 3 Li 1.4413445 0.0153993 -0.0747749 -0.0705032 1.2371474 -0.2174598 -0.2042029 0.0654354 1.0278795 4 Li 1.4413445 -0.0153993 -0.0747749 0.0705032 1.2371474 0.2174598 -0.2042029 -0.0654354 1.0278795 5 Li 0.9885410 0.1375118 -0.0442281 0.2867791 1.3357587 -0.0464999 0.0331321 0.0549962 1.4672451 6 Li 0.9885410 -0.1375118 -0.0442281 -0.2867791 1.3357587 0.0464999 0.0331321 -0.0549962 1.4672451 7 Li 0.9885410 0.1375118 -0.0442281 0.2867791 1.3357587 -0.0464999 0.0331321 0.0549962 1.4672451 8 Li 0.9885410 -0.1375118 -0.0442281 -0.2867791 1.3357587 0.0464999 0.0331321 -0.0549962 1.4672451 9 P -1.2266500 0.2473339 0.0671766 0.1463403 -1.2833737 0.1439393 -0.0168173 0.3093853 -1.4231241 10 P -1.2266500 -0.2473339 0.0671766 -0.1463403 -1.2833737 -0.1439393 -0.0168173 -0.3093853 -1.4231241 11 P -1.2266500 0.2473339 0.0671766 0.1463403 -1.2833737 0.1439393 -0.0168173 0.3093853 -1.4231241 12 P -1.2266500 -0.2473339 0.0671766 -0.1463403 -1.2833737 -0.1439393 -0.0168173 -0.3093853 -1.4231241 13 P -1.2032354 -0.5346019 0.0518263 -0.3645383 -1.2895324 -0.0301054 0.1878881 0.1709137 -1.0720005 14 P -1.2032354 0.5346019 0.0518263 0.3645383 -1.2895324 0.0301054 0.1878881 -0.1709137 -1.0720005 15 P -1.2032354 -0.5346019 0.0518263 -0.3645383 -1.2895324 -0.0301054 0.1878881 0.1709137 -1.0720005 16 P -1.2032354 0.5346019 0.0518263 0.3645383 -1.2895324 0.0301054 0.1878881 -0.1709137 -1.0720005 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:25:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:03]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.533083500069637 0.000000000000000 0.000000000000000 b 0.000000000000000 4.923893149999999 0.000000000000000 c -4.777209849261962 0.000000000000000 8.901408242401182 Atomic positions (fractional): 1 Li 0.28345800372800 0.38818135879410 0.67214152796929 6.941 2 Li 0.71654199627200 0.88818135879410 0.82785847203071 6.941 3 Li 0.71654199627200 0.61181864120590 0.32785847203071 6.941 4 Li 0.28345800372800 0.11181864120590 0.17214152796929 6.941 5 Li 0.27487495725083 0.65715295928783 0.97046428382357 6.941 6 Li 0.72512504274917 0.15715295928783 0.52953571617643 6.941 7 Li 0.72512504274917 0.34284704071217 0.02953571617643 6.941 8 Li 0.27487495725083 0.84284704071217 0.47046428382357 6.941 9 P 0.18368039441035 0.89311228104855 0.70638924172477 30.974 10 P 0.81631960558965 0.39311228104855 0.79361075827523 30.974 11 P 0.81631960558965 0.10688771895145 0.29361075827523 30.974 12 P 0.18368039441035 0.60688771895145 0.20638924172477 30.974 13 P 0.20015193708478 0.15471481398186 0.88995911668982 30.974 14 P 0.79984806291522 0.65471481398186 0.61004088331018 30.974 15 P 0.79984806291522 0.84528518601814 0.11004088331018 30.974 16 P 0.20015193708478 0.34528518601814 0.38995911668982 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.066167000139274 0.000000000000000 0.000000000000000 b 0.000000000000000 14.771679449999997 0.000000000000000 c -4.777209849261962 0.000000000000000 8.901408242401182 Atomic positions (fractional): 1 Li 0.14172900186400 0.12939378626470 0.67214152796929 6.941 > 1 2 Li 0.64172900186400 0.12939378626470 0.67214152796929 6.941 > 1 3 Li 0.14172900186400 0.46272711959803 0.67214152796929 6.941 > 1 4 Li 0.64172900186400 0.46272711959803 0.67214152796929 6.941 > 1 5 Li 0.14172900186400 0.79606045293137 0.67214152796929 6.941 > 1 6 Li 0.64172900186400 0.79606045293137 0.67214152796929 6.941 > 1 7 Li 0.35827099813600 0.29606045293137 0.82785847203071 6.941 > 7 8 Li 0.85827099813600 0.29606045293137 0.82785847203071 6.941 > 7 9 Li 0.35827099813600 0.62939378626470 0.82785847203071 6.941 > 7 10 Li 0.85827099813600 0.62939378626470 0.82785847203071 6.941 > 7 11 Li 0.35827099813600 0.96272711959803 0.82785847203071 6.941 > 7 12 Li 0.85827099813600 0.96272711959803 0.82785847203071 6.941 > 7 13 Li 0.35827099813600 0.20393954706863 0.32785847203071 6.941 > 13 14 Li 0.85827099813600 0.20393954706863 0.32785847203071 6.941 > 13 15 Li 0.35827099813600 0.53727288040197 0.32785847203071 6.941 > 13 16 Li 0.85827099813600 0.53727288040197 0.32785847203071 6.941 > 13 17 Li 0.35827099813600 0.87060621373530 0.32785847203071 6.941 > 13 18 Li 0.85827099813600 0.87060621373530 0.32785847203071 6.941 > 13 19 Li 0.14172900186400 0.03727288040197 0.17214152796929 6.941 > 19 20 Li 0.64172900186400 0.03727288040197 0.17214152796929 6.941 > 19 21 Li 0.14172900186400 0.37060621373530 0.17214152796929 6.941 > 19 22 Li 0.64172900186400 0.37060621373530 0.17214152796929 6.941 > 19 23 Li 0.14172900186400 0.70393954706863 0.17214152796929 6.941 > 19 24 Li 0.64172900186400 0.70393954706863 0.17214152796929 6.941 > 19 25 Li 0.13743747862541 0.21905098642928 0.97046428382357 6.941 > 25 26 Li 0.63743747862541 0.21905098642928 0.97046428382357 6.941 > 25 27 Li 0.13743747862541 0.55238431976261 0.97046428382357 6.941 > 25 28 Li 0.63743747862541 0.55238431976261 0.97046428382357 6.941 > 25 29 Li 0.13743747862541 0.88571765309594 0.97046428382357 6.941 > 25 30 Li 0.63743747862541 0.88571765309594 0.97046428382357 6.941 > 25 31 Li 0.36256252137459 0.05238431976261 0.52953571617643 6.941 > 31 32 Li 0.86256252137459 0.05238431976261 0.52953571617643 6.941 > 31 33 Li 0.36256252137459 0.38571765309594 0.52953571617643 6.941 > 31 34 Li 0.86256252137459 0.38571765309594 0.52953571617643 6.941 > 31 35 Li 0.36256252137459 0.71905098642928 0.52953571617643 6.941 > 31 36 Li 0.86256252137459 0.71905098642928 0.52953571617643 6.941 > 31 37 Li 0.36256252137459 0.11428234690406 0.02953571617643 6.941 > 37 38 Li 0.86256252137459 0.11428234690406 0.02953571617643 6.941 > 37 39 Li 0.36256252137459 0.44761568023739 0.02953571617643 6.941 > 37 40 Li 0.86256252137459 0.44761568023739 0.02953571617643 6.941 > 37 41 Li 0.36256252137459 0.78094901357072 0.02953571617643 6.941 > 37 42 Li 0.86256252137459 0.78094901357072 0.02953571617643 6.941 > 37 43 Li 0.13743747862541 0.28094901357072 0.47046428382357 6.941 > 43 44 Li 0.63743747862541 0.28094901357072 0.47046428382357 6.941 > 43 45 Li 0.13743747862541 0.61428234690406 0.47046428382357 6.941 > 43 46 Li 0.63743747862541 0.61428234690406 0.47046428382357 6.941 > 43 47 Li 0.13743747862541 0.94761568023739 0.47046428382357 6.941 > 43 48 Li 0.63743747862541 0.94761568023739 0.47046428382357 6.941 > 43 49 P 0.09184019720518 0.29770409368285 0.70638924172477 30.974 > 49 50 P 0.59184019720518 0.29770409368285 0.70638924172477 30.974 > 49 51 P 0.09184019720518 0.63103742701618 0.70638924172477 30.974 > 49 52 P 0.59184019720518 0.63103742701618 0.70638924172477 30.974 > 49 53 P 0.09184019720518 0.96437076034952 0.70638924172477 30.974 > 49 54 P 0.59184019720518 0.96437076034952 0.70638924172477 30.974 > 49 55 P 0.40815980279482 0.13103742701618 0.79361075827523 30.974 > 55 56 P 0.90815980279482 0.13103742701618 0.79361075827523 30.974 > 55 57 P 0.40815980279482 0.46437076034952 0.79361075827523 30.974 > 55 58 P 0.90815980279482 0.46437076034952 0.79361075827523 30.974 > 55 59 P 0.40815980279482 0.79770409368285 0.79361075827523 30.974 > 55 60 P 0.90815980279482 0.79770409368285 0.79361075827523 30.974 > 55 61 P 0.40815980279482 0.03562923965048 0.29361075827523 30.974 > 61 62 P 0.90815980279482 0.03562923965048 0.29361075827523 30.974 > 61 63 P 0.40815980279482 0.36896257298382 0.29361075827523 30.974 > 61 64 P 0.90815980279482 0.36896257298382 0.29361075827523 30.974 > 61 65 P 0.40815980279482 0.70229590631715 0.29361075827523 30.974 > 61 66 P 0.90815980279482 0.70229590631715 0.29361075827523 30.974 > 61 67 P 0.09184019720518 0.20229590631715 0.20638924172477 30.974 > 67 68 P 0.59184019720518 0.20229590631715 0.20638924172477 30.974 > 67 69 P 0.09184019720518 0.53562923965048 0.20638924172477 30.974 > 67 70 P 0.59184019720518 0.53562923965048 0.20638924172477 30.974 > 67 71 P 0.09184019720518 0.86896257298382 0.20638924172477 30.974 > 67 72 P 0.59184019720518 0.86896257298382 0.20638924172477 30.974 > 67 73 P 0.10007596854239 0.05157160466062 0.88995911668982 30.974 > 73 74 P 0.60007596854239 0.05157160466062 0.88995911668982 30.974 > 73 75 P 0.10007596854239 0.38490493799395 0.88995911668982 30.974 > 73 76 P 0.60007596854239 0.38490493799395 0.88995911668982 30.974 > 73 77 P 0.10007596854239 0.71823827132729 0.88995911668982 30.974 > 73 78 P 0.60007596854239 0.71823827132729 0.88995911668982 30.974 > 73 79 P 0.39992403145761 0.21823827132729 0.61004088331018 30.974 > 79 80 P 0.89992403145761 0.21823827132729 0.61004088331018 30.974 > 79 81 P 0.39992403145761 0.55157160466062 0.61004088331018 30.974 > 79 82 P 0.89992403145761 0.55157160466062 0.61004088331018 30.974 > 79 83 P 0.39992403145761 0.88490493799395 0.61004088331018 30.974 > 79 84 P 0.89992403145761 0.88490493799395 0.61004088331018 30.974 > 79 85 P 0.39992403145761 0.28176172867271 0.11004088331018 30.974 > 85 86 P 0.89992403145761 0.28176172867271 0.11004088331018 30.974 > 85 87 P 0.39992403145761 0.61509506200605 0.11004088331018 30.974 > 85 88 P 0.89992403145761 0.61509506200605 0.11004088331018 30.974 > 85 89 P 0.39992403145761 0.94842839533938 0.11004088331018 30.974 > 85 90 P 0.89992403145761 0.94842839533938 0.11004088331018 30.974 > 85 91 P 0.10007596854239 0.11509506200605 0.38995911668982 30.974 > 91 92 P 0.60007596854239 0.11509506200605 0.38995911668982 30.974 > 91 93 P 0.10007596854239 0.44842839533938 0.38995911668982 30.974 > 91 94 P 0.60007596854239 0.44842839533938 0.38995911668982 30.974 > 91 95 P 0.10007596854239 0.78176172867271 0.38995911668982 30.974 > 91 96 P 0.60007596854239 0.78176172867271 0.38995911668982 30.974 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.6300827 0.0000000 0.0469693 0.0000000 12.8148489 0.0000000 0.0470137 0.0000000 12.5298404 -------------------------- Born effective charges -------------------------- 1 Li 1.4413445 0.0153993 -0.0747749 -0.0705032 1.2371474 -0.2174598 -0.2042029 0.0654354 1.0278795 2 Li 1.4413445 -0.0153993 -0.0747749 0.0705032 1.2371474 0.2174598 -0.2042029 -0.0654354 1.0278795 3 Li 1.4413445 0.0153993 -0.0747749 -0.0705032 1.2371474 -0.2174598 -0.2042029 0.0654354 1.0278795 4 Li 1.4413445 -0.0153993 -0.0747749 0.0705032 1.2371474 0.2174598 -0.2042029 -0.0654354 1.0278795 5 Li 0.9885410 0.1375118 -0.0442281 0.2867791 1.3357587 -0.0464999 0.0331321 0.0549962 1.4672451 6 Li 0.9885410 -0.1375118 -0.0442281 -0.2867791 1.3357587 0.0464999 0.0331321 -0.0549962 1.4672451 7 Li 0.9885410 0.1375118 -0.0442281 0.2867791 1.3357587 -0.0464999 0.0331321 0.0549962 1.4672451 8 Li 0.9885410 -0.1375118 -0.0442281 -0.2867791 1.3357587 0.0464999 0.0331321 -0.0549962 1.4672451 9 P -1.2266500 0.2473339 0.0671766 0.1463403 -1.2833737 0.1439393 -0.0168173 0.3093853 -1.4231241 10 P -1.2266500 -0.2473339 0.0671766 -0.1463403 -1.2833737 -0.1439393 -0.0168173 -0.3093853 -1.4231241 11 P -1.2266500 0.2473339 0.0671766 0.1463403 -1.2833737 0.1439393 -0.0168173 0.3093853 -1.4231241 12 P -1.2266500 -0.2473339 0.0671766 -0.1463403 -1.2833737 -0.1439393 -0.0168173 -0.3093853 -1.4231241 13 P -1.2032354 -0.5346019 0.0518263 -0.3645383 -1.2895324 -0.0301054 0.1878881 0.1709137 -1.0720005 14 P -1.2032354 0.5346019 0.0518263 0.3645383 -1.2895324 0.0301054 0.1878881 -0.1709137 -1.0720005 15 P -1.2032354 -0.5346019 0.0518263 -0.3645383 -1.2895324 -0.0301054 0.1878881 0.1709137 -1.0720005 16 P -1.2032354 0.5346019 0.0518263 0.3645383 -1.2895324 0.0301054 0.1878881 -0.1709137 -1.0720005 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 6 ] 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: 0.67, Number of G-points: 297, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/192) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.234 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 10.290 ( 0.000 0.000 0.000) 0.000 10.427 ( 0.000 0.000 0.000) 0.000 10.462 ( 0.000 0.000 0.000) 0.000 10.853 ( 0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 0.000) 0.000 11.371 ( 0.000 0.000 0.000) 0.000 11.409 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.593 ( 0.000 0.000 0.000) 0.000 11.819 ( 0.000 0.000 0.000) 0.000 12.376 ( 0.000 0.000 0.000) 0.000 12.379 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.500 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 12.710 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/192) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 24.965 0.000 22.326) 33.492 0.726 ( 29.679 0.000 17.672) 34.542 1.307 ( 55.627 0.000 26.912) 61.795 2.452 ( 5.285 0.000 -2.426) 5.815 2.921 ( 5.290 0.000 -15.372) 16.257 3.283 ( -1.912 0.000 12.720) 12.862 4.144 ( -4.365 0.000 -2.968) 5.278 4.321 ( -8.184 0.000 -2.901) 8.683 4.848 ( 5.745 0.000 -3.388) 6.669 5.084 ( 0.781 0.000 2.897) 3.000 5.106 ( -4.721 0.000 -0.837) 4.795 5.158 ( -1.498 0.000 -5.244) 5.454 5.528 ( -1.169 0.000 -11.093) 11.155 5.871 ( -1.818 0.000 18.459) 18.549 6.068 ( -1.174 0.000 -2.979) 3.202 6.203 ( 0.034 0.000 -4.594) 4.594 6.864 ( 7.429 0.000 -22.172) 23.383 7.012 ( -3.342 0.000 0.787) 3.434 7.043 ( 9.218 0.000 -6.932) 11.534 7.130 ( -8.305 0.000 11.872) 14.488 7.285 ( -21.764 0.000 25.468) 33.500 7.368 ( 14.877 0.000 -5.186) 15.755 7.703 ( -5.224 0.000 0.133) 5.226 7.708 ( -0.027 0.000 -0.642) 0.642 8.152 ( -10.624 0.000 4.592) 11.573 8.252 ( 3.574 0.000 1.793) 3.999 8.518 ( -3.255 0.000 -1.414) 3.549 8.547 ( 4.176 0.000 0.249) 4.183 8.788 ( 5.606 0.000 7.025) 8.987 9.087 ( -4.254 0.000 -1.801) 4.619 9.477 ( 12.127 0.000 -17.136) 20.993 9.477 ( 0.818 0.000 1.260) 1.502 10.290 ( -0.270 0.000 0.833) 0.876 10.428 ( 0.053 0.000 -0.382) 0.385 10.497 ( -2.774 0.000 0.811) 2.890 10.839 ( -5.218 0.000 4.586) 6.947 10.888 ( 3.836 0.000 -2.554) 4.609 11.391 ( 0.798 0.000 -1.347) 1.566 11.404 ( -0.143 0.000 -0.306) 0.338 11.419 ( -1.794 0.000 -0.484) 1.858 11.605 ( 0.960 0.000 -0.151) 0.972 11.808 ( -0.921 0.000 -0.331) 0.979 12.375 ( -0.101 0.000 -0.617) 0.626 12.388 ( 0.840 0.000 0.818) 1.173 12.458 ( -0.236 0.000 -0.284) 0.369 12.503 ( 0.019 0.000 0.507) 0.507 12.708 ( -0.068 0.000 -0.179) 0.192 12.771 ( 2.630 0.000 -5.592) 6.180 ======================= Grid point 2 (3/192) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 22.102 0.000 20.594) 30.209 1.395 ( 26.070 0.000 15.160) 30.158 2.473 ( 38.696 0.000 14.225) 41.228 2.555 ( 16.626 0.000 2.830) 16.865 2.878 ( 6.074 0.000 -12.217) 13.644 3.393 ( 1.445 0.000 8.097) 8.225 3.965 ( -10.425 0.000 -7.171) 12.653 4.138 ( -6.930 0.000 -3.143) 7.610 4.927 ( 4.540 0.000 -0.614) 4.581 4.971 ( -7.459 0.000 -2.848) 7.984 5.067 ( -2.118 0.000 -5.508) 5.901 5.110 ( 0.916 0.000 -0.783) 1.205 5.448 ( 3.081 0.000 -9.730) 10.206 5.964 ( -4.287 0.000 12.436) 13.154 6.007 ( -1.383 0.000 -4.620) 4.823 6.174 ( 2.527 0.000 -5.490) 6.044 6.803 ( 3.793 0.000 -9.179) 9.932 6.936 ( -7.356 0.000 2.864) 7.894 7.101 ( -5.794 0.000 10.192) 11.724 7.125 ( 3.036 0.000 -2.285) 3.800 7.199 ( -10.736 0.000 18.643) 21.513 7.524 ( -11.829 0.000 1.189) 11.889 7.587 ( 8.991 0.000 -0.948) 9.041 7.697 ( 1.178 0.000 -3.672) 3.857 8.066 ( 0.655 0.000 -4.996) 5.038 8.302 ( 0.145 0.000 4.024) 4.027 8.428 ( -3.386 0.000 -6.401) 7.241 8.634 ( 5.697 0.000 -1.374) 5.860 8.924 ( 3.036 0.000 2.935) 4.223 9.040 ( 0.949 0.000 0.165) 0.963 9.489 ( -0.706 0.000 1.926) 2.052 9.532 ( 5.630 0.000 -5.107) 7.601 10.303 ( 0.301 0.000 1.899) 1.923 10.404 ( -2.543 0.000 -1.500) 2.952 10.438 ( -3.793 0.000 -0.448) 3.820 10.770 ( -5.547 0.000 1.824) 5.840 10.957 ( 3.831 0.000 1.852) 4.255 11.370 ( -1.619 0.000 0.272) 1.642 11.401 ( 0.595 0.000 -1.627) 1.732 11.404 ( 0.763 0.000 -0.911) 1.188 11.607 ( -0.691 0.000 -0.457) 0.828 11.790 ( -0.625 0.000 0.076) 0.630 12.367 ( 0.122 0.000 -0.866) 0.874 12.418 ( 1.287 0.000 1.253) 1.796 12.444 ( -0.617 0.000 -0.973) 1.152 12.511 ( 0.167 0.000 0.937) 0.952 12.706 ( 0.099 0.000 -0.234) 0.254 12.760 ( 0.572 0.000 -2.548) 2.612 ======================= Grid point 3 (4/192) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 17.518 0.000 17.721) 24.919 1.940 ( 19.856 0.000 10.764) 22.586 2.601 ( 5.852 0.000 -6.062) 8.425 2.932 ( 9.975 0.000 -7.017) 12.195 3.413 ( -5.305 0.000 0.715) 5.354 3.426 ( 35.233 0.000 12.925) 37.529 3.626 ( -16.316 0.000 -11.441) 19.927 4.094 ( 3.475 0.000 3.163) 4.698 4.810 ( -7.747 0.000 -1.079) 7.822 4.961 ( -2.436 0.000 2.646) 3.596 4.998 ( -0.951 0.000 -2.718) 2.879 5.142 ( 6.896 0.000 -5.570) 8.864 5.429 ( 4.075 0.000 -8.099) 9.067 5.917 ( -3.524 0.000 -5.038) 6.148 6.004 ( -1.150 0.000 9.244) 9.315 6.194 ( 5.483 0.000 -5.433) 7.719 6.807 ( -9.813 0.000 2.442) 10.112 6.810 ( 0.051 0.000 -2.653) 2.653 7.065 ( -4.598 0.000 -3.157) 5.577 7.122 ( -2.539 0.000 9.631) 9.960 7.224 ( -3.384 0.000 12.875) 13.313 7.437 ( -1.167 0.000 5.611) 5.731 7.621 ( -3.843 0.000 2.876) 4.800 7.650 ( -2.521 0.000 -5.294) 5.863 8.058 ( 3.106 0.000 -3.676) 4.813 8.188 ( -9.750 0.000 -9.811) 13.832 8.505 ( 14.032 0.000 3.979) 14.585 8.723 ( 5.962 0.000 -1.778) 6.222 8.932 ( -2.620 0.000 -2.129) 3.376 9.079 ( 0.984 0.000 0.666) 1.188 9.511 ( 0.761 0.000 2.286) 2.409 9.584 ( 3.742 0.000 -1.223) 3.937 10.279 ( -8.105 0.000 -4.174) 9.116 10.339 ( 1.299 0.000 2.398) 2.727 10.361 ( -3.902 0.000 -1.194) 4.080 10.683 ( -5.231 0.000 0.990) 5.324 11.055 ( 3.839 0.000 3.616) 5.273 11.361 ( -1.206 0.000 0.584) 1.340 11.408 ( 1.004 0.000 -2.378) 2.581 11.409 ( 3.094 0.000 -0.126) 3.096 11.570 ( -2.809 0.000 -0.168) 2.814 11.786 ( -0.436 0.000 0.402) 0.593 12.364 ( 0.486 0.000 -0.756) 0.898 12.418 ( -1.030 0.000 -1.117) 1.519 12.455 ( 1.427 0.000 1.244) 1.893 12.526 ( 0.284 0.000 1.114) 1.149 12.708 ( 0.257 0.000 -0.240) 0.351 12.743 ( -0.287 0.000 -1.516) 1.543 ======================= Grid point 4 (5/192) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 11.876 0.000 13.443) 17.938 2.311 ( 11.925 0.000 6.040) 13.367 2.626 ( 2.745 0.000 -4.441) 5.221 3.053 ( 11.334 0.000 -11.929) 16.455 3.209 ( -14.922 0.000 -12.271) 19.319 3.273 ( -11.338 0.000 7.344) 13.509 4.005 ( 19.713 0.000 3.893) 20.093 4.273 ( 8.641 0.000 5.711) 10.358 4.679 ( -6.756 0.000 1.422) 6.904 4.922 ( -2.554 0.000 0.305) 2.572 4.974 ( -0.246 0.000 -0.548) 0.600 5.222 ( 5.723 0.000 -3.514) 6.716 5.432 ( 2.814 0.000 -4.493) 5.301 5.797 ( -3.929 0.000 -4.059) 5.650 6.135 ( 5.635 0.000 9.118) 10.719 6.263 ( 7.878 0.000 -4.824) 9.238 6.618 ( -12.680 0.000 0.666) 12.697 6.642 ( -11.197 0.000 -6.431) 12.912 7.042 ( 1.682 0.000 0.264) 1.702 7.198 ( 0.898 0.000 8.600) 8.647 7.313 ( 1.116 0.000 7.347) 7.431 7.506 ( 1.934 0.000 4.209) 4.632 7.556 ( -6.952 0.000 6.919) 9.808 7.562 ( -1.398 0.000 -4.321) 4.541 7.912 ( -7.230 0.000 -12.125) 14.117 8.109 ( 3.903 0.000 0.613) 3.951 8.790 ( -1.277 0.000 -5.098) 5.255 8.827 ( 14.414 0.000 4.372) 15.062 8.842 ( 1.289 0.000 0.258) 1.315 9.075 ( -1.260 0.000 0.179) 1.273 9.524 ( -1.556 0.000 0.071) 1.557 9.633 ( 1.859 0.000 -0.494) 1.924 10.068 ( -8.438 0.000 -4.678) 9.648 10.282 ( -3.285 0.000 -0.774) 3.375 10.389 ( 1.607 0.000 2.039) 2.596 10.614 ( -2.871 0.000 0.344) 2.892 11.158 ( 3.172 0.000 4.112) 5.193 11.331 ( -1.285 0.000 -0.707) 1.467 11.378 ( -0.904 0.000 -4.093) 4.192 11.514 ( 5.932 0.000 2.608) 6.481 11.523 ( -2.103 0.000 0.681) 2.211 11.764 ( -2.331 0.000 -0.542) 2.393 12.369 ( 0.608 0.000 -0.500) 0.787 12.391 ( -0.896 0.000 -0.603) 1.080 12.490 ( 1.131 0.000 0.818) 1.396 12.540 ( 0.129 0.000 0.795) 0.806 12.710 ( 0.190 0.000 -0.205) 0.279 12.724 ( -0.429 0.000 -0.806) 0.913 ======================= Grid point 5 (6/192) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 -0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.072 ( -0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 -0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.376 ( -0.000 0.000 -0.000) 0.000 6.399 ( -0.000 0.000 0.000) 0.000 6.403 ( 0.000 0.000 -0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.513 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.895 ( 0.000 0.000 0.000) 0.000 9.011 ( -0.000 0.000 0.000) 0.000 9.057 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 10.419 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 11.224 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.329 ( 0.000 0.000 -0.000) 0.000 11.509 ( 0.000 0.000 0.000) 0.000 11.613 ( 0.000 0.000 -0.000) 0.000 11.712 ( 0.000 0.000 0.000) 0.000 12.376 ( -0.567 0.000 0.123) 0.580 12.376 ( 0.567 0.000 -0.123) 0.580 12.506 ( 0.000 0.000 0.000) 0.000 12.545 ( 0.000 0.000 0.000) 0.000 12.710 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/192) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 36.683 0.000) 36.683 0.778 ( 0.000 37.666 0.000) 37.666 1.346 ( 0.000 64.970 0.000) 64.970 2.632 ( 0.000 19.845 0.000) 19.845 3.020 ( 0.000 6.567 0.000) 6.567 3.285 ( 0.000 4.376 0.000) 4.376 4.158 ( 0.000 -2.914 0.000) 2.914 4.257 ( 0.000 -13.088 0.000) 13.088 4.848 ( 0.000 2.506 0.000) 2.506 5.118 ( 0.000 5.665 0.000) 5.665 5.176 ( 0.000 2.307 0.000) 2.307 5.344 ( 0.000 12.262 0.000) 12.262 5.612 ( 0.000 -7.341 0.000) 7.341 5.659 ( 0.000 4.483 0.000) 4.483 6.117 ( 0.000 0.907 0.000) 0.907 6.363 ( 0.000 10.866 0.000) 10.866 6.696 ( 0.000 9.040 0.000) 9.040 6.852 ( 0.000 -5.706 0.000) 5.706 7.094 ( 0.000 -3.182 0.000) 3.182 7.154 ( 0.000 -5.463 0.000) 5.463 7.178 ( 0.000 7.506 0.000) 7.506 7.210 ( 0.000 7.359 0.000) 7.359 7.667 ( 0.000 -3.911 0.000) 3.911 7.674 ( 0.000 -5.137 0.000) 5.137 8.026 ( 0.000 -0.986 0.000) 0.986 8.202 ( 0.000 0.388 0.000) 0.388 8.273 ( 0.000 -15.218 0.000) 15.218 8.464 ( 0.000 -9.900 0.000) 9.900 8.729 ( 0.000 3.332 0.000) 3.332 8.794 ( 0.000 4.005 0.000) 4.005 9.092 ( 0.000 -9.683 0.000) 9.683 9.492 ( 0.000 3.593 0.000) 3.593 10.423 ( 0.000 -3.510 0.000) 3.510 10.541 ( 0.000 9.885 0.000) 9.885 10.637 ( 0.000 11.949 0.000) 11.949 10.849 ( 0.000 -2.928 0.000) 2.928 11.321 ( 0.000 -4.910 0.000) 4.910 11.379 ( 0.000 -3.039 0.000) 3.039 11.479 ( 0.000 5.111 0.000) 5.111 11.664 ( 0.000 6.336 0.000) 6.336 11.716 ( 0.000 -5.947 0.000) 5.947 12.199 ( 0.000 6.342 0.000) 6.342 12.362 ( 0.000 -8.142 0.000) 8.142 12.388 ( 0.000 1.012 0.000) 1.012 12.407 ( 0.000 -7.070 0.000) 7.070 12.419 ( 0.000 -0.534 0.000) 0.534 12.705 ( 0.000 1.721 0.000) 1.721 12.751 ( 0.000 2.167 0.000) 2.167 ======================= Grid point 12 (8/192) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 16.492 27.186 11.954) 33.970 1.168 ( 25.349 26.594 11.817) 38.594 1.775 ( 32.806 44.049 18.884) 58.079 2.649 ( 3.695 18.070 -3.145) 18.710 2.992 ( 4.940 6.749 -14.185) 16.467 3.323 ( -2.036 3.950 11.545) 12.371 4.110 ( -3.199 -3.184 -4.642) 6.474 4.188 ( -5.662 -10.084 -1.516) 11.663 4.873 ( 3.480 1.240 -1.577) 4.017 5.061 ( -4.229 -0.035 0.514) 4.260 5.213 ( -0.866 7.613 0.709) 7.695 5.296 ( -2.779 11.856 -4.099) 12.848 5.514 ( 1.487 -0.823 -8.244) 8.418 5.836 ( 2.335 -1.451 13.223) 13.506 6.223 ( 3.438 7.337 1.599) 8.258 6.308 ( -3.383 8.436 -1.511) 9.214 6.687 ( 2.015 -6.859 -12.304) 14.230 6.915 ( 4.783 -6.424 1.729) 8.194 7.055 ( -2.792 -2.213 0.320) 3.577 7.115 ( -1.474 -1.647 2.030) 3.001 7.232 ( -8.652 1.305 17.873) 19.900 7.348 ( 10.906 1.821 -1.828) 11.207 7.634 ( -3.744 -3.096 -0.260) 4.865 7.732 ( 2.997 -3.040 -0.201) 4.273 7.990 ( -7.053 -6.666 4.229) 10.586 8.277 ( 4.123 -8.154 -1.617) 9.279 8.389 ( -0.926 0.512 3.303) 3.469 8.455 ( 11.554 -16.568 -1.578) 20.260 8.606 ( 3.106 -0.866 -1.339) 3.492 8.952 ( -1.233 -12.094 -2.217) 12.357 9.177 ( 12.054 1.695 5.747) 13.461 9.505 ( -0.051 0.227 -0.842) 0.874 10.394 ( -1.883 -2.374 -1.878) 3.565 10.530 ( -2.432 8.532 1.681) 9.030 10.627 ( -0.929 11.545 0.074) 11.583 10.831 ( -1.646 -1.517 -0.756) 2.363 11.308 ( -3.691 -0.436 -0.765) 3.795 11.371 ( 0.178 -2.865 -3.244) 4.331 11.395 ( -8.086 3.749 -3.991) 9.766 11.510 ( -7.452 9.244 -2.196) 12.075 11.702 ( 1.112 6.297 0.613) 6.424 11.969 ( -6.409 15.996 -4.360) 17.775 12.360 ( -0.617 -6.513 0.663) 6.576 12.380 ( 0.596 -1.539 0.253) 1.670 12.392 ( 0.701 -0.325 -0.453) 0.895 12.445 ( 0.969 -4.680 -1.613) 5.044 12.714 ( 0.638 1.157 -0.511) 1.417 12.783 ( 1.369 0.653 -0.706) 1.673 ======================= Grid point 13 (9/192) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 19.648 16.119 15.562) 29.800 1.731 ( 22.797 24.410 13.304) 35.952 2.627 ( 34.141 16.920 14.564) 40.793 2.701 ( 7.571 14.305 -5.199) 16.999 2.974 ( 8.982 8.603 -8.327) 14.968 3.408 ( 0.288 1.477 6.954) 7.115 3.948 ( -8.224 -1.518 -7.290) 11.094 4.063 ( -5.672 -5.372 -1.175) 7.900 4.929 ( 3.071 -5.208 -3.586) 7.029 4.983 ( -3.989 2.754 1.800) 5.170 5.120 ( -5.823 5.139 -3.355) 8.460 5.192 ( -2.612 11.460 -5.171) 12.841 5.542 ( 5.877 7.171 -3.625) 9.955 5.948 ( -2.095 0.856 9.512) 9.777 6.198 ( 2.007 8.534 -9.397) 12.852 6.298 ( -1.613 15.930 3.009) 16.291 6.602 ( 0.641 -13.325 -5.092) 14.279 6.934 ( -6.156 -1.631 3.807) 7.420 7.064 ( 3.296 -5.386 0.333) 6.323 7.140 ( 2.305 -1.010 1.428) 2.893 7.221 ( -9.572 2.413 13.903) 17.051 7.422 ( -5.326 -8.020 3.327) 10.187 7.569 ( -0.434 1.617 -1.271) 2.101 7.745 ( 0.188 2.551 -2.125) 3.325 7.956 ( 3.034 -7.955 -2.136) 8.778 8.279 ( -3.745 -8.535 -1.331) 9.415 8.325 ( 0.653 -2.129 -0.584) 2.302 8.645 ( 6.055 -2.235 -3.168) 7.190 8.731 ( 5.044 -12.481 2.861) 13.763 8.967 ( 6.841 -6.753 -0.089) 9.613 9.412 ( 4.558 -2.876 0.604) 5.423 9.457 ( -0.362 -2.405 1.475) 2.844 10.333 ( -2.485 -1.628 -1.856) 3.503 10.479 ( -4.437 6.994 0.931) 8.335 10.599 ( -1.871 10.808 -1.441) 11.063 10.775 ( -4.051 1.254 -0.012) 4.241 11.145 ( -4.784 9.751 -0.591) 10.877 11.322 ( -1.531 -3.574 -2.256) 4.495 11.369 ( 1.805 -1.631 -1.759) 3.002 11.452 ( -0.660 5.800 0.803) 5.892 11.729 ( 0.563 7.864 1.039) 7.952 11.879 ( -2.411 9.231 -1.457) 9.652 12.352 ( -0.581 -4.600 0.104) 4.638 12.397 ( 0.882 -1.067 -0.483) 1.466 12.407 ( 0.790 -2.668 0.564) 2.839 12.446 ( 0.463 -3.680 -0.296) 3.721 12.720 ( 0.497 1.735 -0.377) 1.844 12.785 ( 0.111 1.157 -0.876) 1.456 ======================= Grid point 14 (10/192) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 16.889 10.283 14.559) 24.555 2.219 ( 17.457 22.731 10.468) 30.512 2.758 ( 6.376 13.773 -5.925) 16.293 2.954 ( 10.120 3.666 -6.372) 12.508 3.378 ( 6.518 0.504 -1.229) 6.652 3.499 ( 17.233 4.167 11.326) 21.038 3.653 ( -14.708 2.799 -9.601) 17.786 4.029 ( 1.874 -4.579 3.425) 6.018 4.814 ( -7.324 -4.338 -2.592) 8.898 4.980 ( -5.043 1.830 -1.215) 5.501 5.063 ( 6.787 0.780 -1.650) 7.028 5.127 ( -0.480 11.074 -2.884) 11.453 5.597 ( 2.742 12.228 -2.073) 12.702 5.981 ( -0.950 4.168 4.700) 6.354 6.178 ( 3.442 6.957 -4.989) 9.227 6.266 ( -0.819 15.482 -2.081) 15.643 6.621 ( 1.742 -11.311 -0.603) 11.460 6.831 ( -8.784 1.107 3.180) 9.407 7.063 ( -3.420 -0.141 -3.088) 4.610 7.200 ( -2.011 -2.925 10.717) 11.289 7.221 ( 4.181 -0.885 2.434) 4.918 7.390 ( -4.351 -3.130 9.882) 11.242 7.518 ( -4.977 -3.424 1.099) 6.140 7.694 ( -2.672 4.018 -2.659) 5.510 7.992 ( 1.843 -5.558 -2.686) 6.442 8.131 ( -6.615 -6.246 -7.180) 11.590 8.468 ( 12.449 -3.043 3.814) 13.371 8.695 ( 4.624 -1.994 -4.394) 6.683 8.783 ( -0.222 -11.588 -0.445) 11.599 9.061 ( 0.788 -1.105 -1.308) 1.885 9.383 ( 1.455 -10.826 -0.002) 10.923 9.564 ( 2.344 -1.278 2.396) 3.587 10.277 ( -2.077 -2.509 -1.235) 3.483 10.396 ( -4.717 9.568 -0.889) 10.705 10.532 ( -3.325 8.599 -1.440) 9.332 10.685 ( -5.450 2.046 -0.467) 5.841 11.135 ( 0.884 3.916 3.647) 5.424 11.267 ( -2.041 -3.610 -1.654) 4.465 11.405 ( 3.392 -0.168 -2.035) 3.959 11.469 ( 1.771 5.817 0.518) 6.102 11.738 ( -0.817 10.718 1.445) 10.845 11.834 ( -1.701 5.084 -0.452) 5.380 12.340 ( -0.725 -4.835 -0.559) 4.920 12.398 ( -0.031 0.165 -0.222) 0.279 12.425 ( 0.777 -5.844 0.148) 5.897 12.465 ( 1.036 -1.022 0.937) 1.731 12.724 ( 0.402 2.093 -0.368) 2.163 12.776 ( -0.258 1.625 -0.670) 1.777 ======================= Grid point 15 (11/192) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 11.985 7.162 10.537) 17.492 2.537 ( 8.608 20.179 5.183) 22.542 2.816 ( 5.087 15.775 -2.549) 16.770 3.068 ( 8.581 2.132 -9.697) 13.123 3.276 ( -11.900 5.599 -11.937) 17.761 3.303 ( -8.813 4.441 6.238) 11.675 3.914 ( 13.089 -7.209 4.297) 15.549 4.174 ( 7.809 -7.073 4.209) 11.346 4.671 ( -6.025 -4.160 -1.158) 7.412 4.890 ( -3.264 -0.058 -1.312) 3.519 5.101 ( -0.221 9.970 -1.201) 10.045 5.189 ( 6.738 0.555 0.145) 6.763 5.601 ( -0.529 13.116 -0.638) 13.142 5.986 ( -0.379 11.868 -2.379) 12.110 6.237 ( 2.908 9.979 6.377) 12.194 6.283 ( 6.552 3.302 -4.414) 8.563 6.561 ( -5.916 -2.593 -4.202) 7.706 6.672 ( -9.945 1.637 -0.299) 10.083 7.003 ( -0.547 -0.776 -0.433) 1.043 7.312 ( 2.369 -0.675 8.069) 8.436 7.339 ( 3.239 3.041 7.743) 8.927 7.421 ( 0.326 -6.890 2.329) 7.280 7.457 ( -3.204 -2.057 3.915) 5.461 7.622 ( -3.220 4.298 -0.776) 5.427 7.839 ( -8.277 -3.537 -9.628) 13.180 8.105 ( 4.753 -2.457 0.960) 5.436 8.612 ( -1.841 -13.475 -5.638) 14.722 8.736 ( 3.806 -4.601 -1.826) 6.244 8.855 ( 9.100 -3.791 5.039) 11.071 9.021 ( -0.297 -3.816 -0.612) 3.876 9.425 ( -0.308 -6.777 -0.647) 6.815 9.558 ( -2.565 -6.741 -0.891) 7.267 10.233 ( -1.490 -1.215 -0.796) 2.081 10.304 ( -3.467 16.196 -1.599) 16.640 10.482 ( -1.277 5.871 0.487) 6.028 10.594 ( -3.395 -0.861 -0.654) 3.563 11.197 ( -0.276 -4.589 2.322) 5.150 11.235 ( 1.109 1.178 1.464) 2.182 11.403 ( -0.541 4.636 -3.756) 5.991 11.552 ( 5.808 3.879 1.252) 7.096 11.729 ( -1.716 11.090 1.185) 11.284 11.799 ( -1.941 4.898 -0.234) 5.274 12.316 ( -0.974 -5.968 -0.650) 6.082 12.403 ( 0.539 1.334 0.094) 1.442 12.435 ( 0.178 -7.216 0.108) 7.219 12.490 ( 0.745 -0.240 0.738) 1.075 12.727 ( 0.243 2.258 -0.250) 2.284 12.766 ( -0.237 2.083 -0.391) 2.133 ======================= Grid point 16 (12/192) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -0.000 5.032 0.000) 5.032 2.624 ( 0.000 17.400 0.000) 17.400 2.874 ( 0.000 19.363 0.000) 19.363 3.019 ( -0.000 5.190 0.000) 5.190 3.120 ( -0.000 4.629 0.000) 4.629 3.266 ( 0.000 5.469 -0.000) 5.469 4.055 ( 0.000 -11.730 0.000) 11.730 4.288 ( 0.000 -9.136 0.000) 9.136 4.599 ( 0.000 -4.253 0.000) 4.253 4.849 ( 0.000 -0.037 0.000) 0.037 5.093 ( 0.000 9.190 0.000) 9.190 5.264 ( 0.000 0.756 0.000) 0.756 5.586 ( 0.000 12.567 0.000) 12.567 5.960 ( 0.000 16.445 0.000) 16.445 6.360 ( 0.000 -0.801 0.000) 0.801 6.373 ( -0.000 -1.830 0.000) 1.830 6.407 ( 0.000 9.444 -0.000) 9.444 6.532 ( 0.000 6.248 -0.000) 6.248 7.002 ( 0.000 -2.535 0.000) 2.535 7.374 ( 0.000 1.988 -0.000) 1.988 7.422 ( 0.000 -8.995 -0.000) 8.995 7.438 ( -0.000 10.170 0.000) 10.170 7.517 ( 0.000 -5.343 0.000) 5.343 7.546 ( -0.000 3.092 -0.000) 3.092 7.678 ( 0.000 -3.803 0.000) 3.803 8.186 ( 0.000 2.017 0.000) 2.017 8.517 ( 0.000 -17.146 0.000) 17.146 8.769 ( 0.000 -6.936 0.000) 6.936 8.934 ( -0.000 -9.994 -0.000) 9.994 9.126 ( -0.000 6.350 0.000) 6.350 9.337 ( 0.000 -10.672 0.000) 10.672 9.535 ( 0.000 -8.413 0.000) 8.413 10.219 ( -0.000 -2.434 0.000) 2.434 10.258 ( 0.000 21.854 0.000) 21.854 10.481 ( -0.000 4.824 -0.000) 4.824 10.558 ( 0.000 -2.704 0.000) 2.704 11.187 ( 0.000 -6.398 0.000) 6.398 11.297 ( 0.000 -3.257 0.000) 3.257 11.351 ( 0.000 11.166 -0.000) 11.166 11.649 ( 0.000 9.376 0.000) 9.376 11.693 ( 0.000 -1.963 0.000) 1.963 11.775 ( 0.000 12.483 0.000) 12.483 12.303 ( 0.000 -6.590 0.000) 6.590 12.410 ( 0.000 3.258 0.000) 3.258 12.436 ( 0.000 -9.169 0.000) 9.169 12.501 ( 0.000 -0.137 0.000) 0.137 12.728 ( 0.000 2.309 0.000) 2.309 12.761 ( 0.000 2.292 0.000) 2.292 ======================= Grid point 22 (13/192) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 35.930 0.000) 35.930 1.516 ( 0.000 34.647 0.000) 34.647 2.605 ( 0.000 57.614 0.000) 57.614 3.099 ( 0.000 21.757 0.000) 21.757 3.201 ( 0.000 10.734 0.000) 10.734 3.443 ( 0.000 13.164 0.000) 13.164 3.995 ( 0.000 -11.397 0.000) 11.397 4.121 ( 0.000 0.542 0.000) 0.542 4.814 ( 0.000 -7.894 0.000) 7.894 5.233 ( 0.000 1.857 0.000) 1.857 5.254 ( 0.000 6.843 0.000) 6.843 5.447 ( 0.000 -8.215 0.000) 8.215 5.619 ( 0.000 13.660 0.000) 13.660 5.751 ( 0.000 3.739 0.000) 3.739 6.116 ( 0.000 -0.269 0.000) 0.269 6.619 ( 0.000 12.833 0.000) 12.833 6.727 ( 0.000 -5.942 0.000) 5.942 6.865 ( 0.000 -9.192 0.000) 9.192 6.877 ( 0.000 7.029 0.000) 7.029 7.207 ( 0.000 4.431 0.000) 4.431 7.344 ( 0.000 5.445 0.000) 5.445 7.410 ( 0.000 6.682 0.000) 6.682 7.482 ( 0.000 -13.058 0.000) 13.058 7.628 ( 0.000 6.205 0.000) 6.205 8.001 ( 0.000 -9.869 0.000) 9.869 8.031 ( 0.000 2.107 0.000) 2.107 8.212 ( 0.000 1.384 0.000) 1.384 8.310 ( 0.000 -3.832 0.000) 3.832 8.736 ( 0.000 -5.405 0.000) 5.405 8.898 ( 0.000 5.790 0.000) 5.790 8.903 ( 0.000 -4.810 0.000) 4.810 9.572 ( 0.000 3.386 0.000) 3.386 10.350 ( 0.000 -2.594 0.000) 2.594 10.735 ( 0.000 8.102 0.000) 8.102 10.741 ( 0.000 -8.809 0.000) 8.809 10.832 ( 0.000 4.717 0.000) 4.717 11.193 ( 0.000 -6.252 0.000) 6.252 11.286 ( 0.000 -5.623 0.000) 5.623 11.513 ( 0.000 -4.192 0.000) 4.192 11.713 ( 0.000 9.578 0.000) 9.578 11.807 ( 0.000 4.689 0.000) 4.689 12.184 ( 0.000 -8.080 0.000) 8.080 12.244 ( 0.000 -8.611 0.000) 8.611 12.305 ( 0.000 3.360 0.000) 3.360 12.403 ( 0.000 -0.360 0.000) 0.360 12.445 ( 0.000 4.488 0.000) 4.488 12.744 ( 0.000 2.074 0.000) 2.074 12.770 ( 0.000 -0.341 0.000) 0.341 ======================= Grid point 23 (14/192) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 8.799 31.279 6.335) 33.105 1.717 ( 17.400 28.026 6.719) 33.666 2.797 ( 14.325 50.429 9.829) 53.338 3.086 ( 0.709 21.499 -2.647) 21.673 3.181 ( 4.083 11.808 -11.334) 16.869 3.455 ( -2.105 9.973 5.310) 11.493 3.959 ( -2.018 -8.317 -2.043) 8.798 4.098 ( -2.340 0.582 -0.937) 2.587 4.797 ( -1.790 -9.646 -0.154) 9.812 5.113 ( -5.822 3.214 2.194) 7.003 5.365 ( -2.656 4.032 -2.013) 5.231 5.474 ( 10.977 -0.813 -1.635) 11.128 5.576 ( -2.388 14.042 -3.566) 14.683 5.832 ( 3.519 0.607 7.560) 8.361 6.191 ( 4.371 -4.572 4.787) 7.933 6.536 ( -7.210 12.399 -1.433) 14.414 6.712 ( -2.442 -1.071 0.237) 2.677 6.851 ( 3.556 -3.272 -6.881) 8.408 6.894 ( -1.806 -0.625 5.007) 5.359 7.125 ( -1.608 -0.165 -3.361) 3.730 7.327 ( -5.798 2.376 4.480) 7.703 7.406 ( -1.950 -0.461 0.170) 2.011 7.577 ( 7.770 -2.561 -0.219) 8.184 7.669 ( 3.296 5.905 -1.422) 6.911 7.948 ( -6.132 0.454 5.887) 8.512 8.121 ( 5.208 -4.033 -1.180) 6.692 8.201 ( 0.762 -8.172 -1.549) 8.352 8.418 ( 10.047 1.495 2.708) 10.512 8.591 ( -8.926 -0.928 -5.207) 10.375 8.740 ( 1.243 -9.095 -2.196) 9.438 9.231 ( 11.935 2.695 8.376) 14.828 9.540 ( -3.187 2.801 -2.175) 4.768 10.334 ( -1.001 -2.121 -1.744) 2.922 10.634 ( -5.130 -2.522 -1.381) 5.881 10.786 ( -1.211 2.930 -0.289) 3.183 10.843 ( 1.411 3.944 2.149) 4.708 11.204 ( 1.074 -5.858 0.427) 5.971 11.269 ( 0.120 -6.941 -4.444) 8.243 11.449 ( -6.371 1.653 1.165) 6.684 11.674 ( -2.439 8.764 -2.131) 9.343 11.819 ( 0.991 3.986 0.563) 4.145 12.187 ( -1.493 -7.403 2.509) 7.958 12.222 ( -2.823 4.150 -2.509) 5.612 12.285 ( 0.003 -3.979 -1.570) 4.277 12.396 ( 0.859 -0.840 -0.633) 1.358 12.429 ( 0.106 3.786 -0.824) 3.876 12.750 ( 0.614 2.012 -0.015) 2.104 12.784 ( 0.669 -0.608 0.389) 0.984 ======================= Grid point 24 (15/192) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 13.270 23.855 10.423) 29.219 2.167 ( 21.644 18.513 9.566) 30.045 3.056 ( 4.986 17.506 -8.377) 20.037 3.140 ( 5.366 20.274 -7.470) 22.262 3.267 ( 17.940 30.084 9.727) 36.353 3.450 ( -2.185 2.787 2.368) 4.260 3.922 ( -1.353 -0.326 0.687) 1.552 3.999 ( -6.673 0.561 -2.960) 7.322 4.736 ( -4.187 -12.172 -1.808) 12.999 5.066 ( -2.484 1.809 2.509) 3.967 5.250 ( -3.968 6.450 -4.984) 9.066 5.476 ( -3.493 14.648 -3.812) 15.534 5.685 ( 10.418 6.518 1.126) 12.340 5.968 ( 1.300 0.393 9.664) 9.759 6.316 ( 5.257 -9.227 1.052) 10.671 6.377 ( -6.401 10.377 -3.693) 12.739 6.665 ( -1.909 8.825 2.105) 9.272 6.891 ( 3.800 -8.985 0.546) 9.771 6.898 ( -2.308 0.131 4.173) 4.770 7.102 ( 2.693 -1.341 -5.068) 5.893 7.265 ( -7.818 0.042 -1.645) 7.990 7.330 ( -4.124 0.132 6.772) 7.930 7.645 ( -0.383 4.396 -3.273) 5.494 7.707 ( 3.851 -3.653 -1.520) 5.522 7.897 ( -4.637 2.579 4.046) 6.673 8.138 ( -0.979 -4.237 -1.982) 4.779 8.237 ( 3.901 -4.606 -0.525) 6.059 8.497 ( 0.828 -8.993 1.484) 9.152 8.613 ( 7.346 -0.182 -1.198) 7.445 8.852 ( 11.858 -5.421 1.888) 13.175 9.385 ( -9.026 -0.686 -4.805) 10.248 9.466 ( 5.467 2.669 4.644) 7.653 10.281 ( -2.275 -2.103 -2.588) 4.037 10.543 ( -3.308 -2.319 -1.031) 4.169 10.721 ( -4.260 2.183 -1.048) 4.900 10.890 ( 0.276 7.955 2.257) 8.274 11.202 ( -1.198 -5.112 -5.612) 7.685 11.237 ( 0.324 -3.059 1.861) 3.596 11.359 ( -2.810 2.935 -0.410) 4.084 11.627 ( -0.431 8.474 -0.263) 8.490 11.846 ( 0.985 3.029 1.083) 3.364 12.094 ( -5.526 8.906 -2.536) 10.783 12.199 ( 0.095 -7.672 0.205) 7.675 12.283 ( -0.906 -6.540 0.856) 6.658 12.430 ( 2.065 2.133 0.443) 3.002 12.435 ( 1.438 1.916 -0.396) 2.428 12.762 ( 0.717 1.836 -0.149) 1.977 12.793 ( 0.289 -0.024 -0.090) 0.304 ======================= Grid point 25 (16/192) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 13.087 17.425 11.178) 24.492 2.638 ( 19.002 14.320 9.899) 25.771 3.078 ( 6.051 17.718 -6.583) 19.846 3.145 ( 6.484 12.338 -12.063) 18.433 3.452 ( 0.017 4.933 3.151) 5.854 3.653 ( 11.727 14.718 6.746) 19.991 3.752 ( -11.649 8.027 -7.380) 15.956 3.956 ( -0.379 -2.089 4.963) 5.398 4.616 ( -5.613 -12.183 -3.445) 13.849 5.023 ( -3.622 -0.551 -1.347) 3.903 5.194 ( 1.649 9.790 -0.398) 9.936 5.385 ( -2.697 12.850 -3.431) 13.571 5.849 ( 5.066 10.893 2.458) 12.262 6.063 ( -0.397 3.113 8.547) 9.105 6.262 ( -1.225 4.660 -3.210) 5.790 6.388 ( 2.343 -5.312 -1.274) 5.944 6.704 ( 2.392 13.010 1.112) 13.274 6.864 ( -6.627 2.189 4.325) 8.210 7.001 ( 5.579 -11.511 2.121) 12.966 7.094 ( 1.688 1.918 -7.888) 8.291 7.125 ( -2.508 -3.009 3.466) 5.231 7.336 ( -1.552 0.928 4.477) 4.828 7.581 ( -4.158 3.241 1.323) 5.435 7.751 ( 0.559 -3.777 0.799) 3.901 7.870 ( 0.204 -1.021 0.230) 1.066 8.028 ( -6.264 -1.818 -2.897) 7.136 8.400 ( 9.646 -3.264 1.092) 10.242 8.550 ( 2.776 -9.104 2.087) 9.744 8.685 ( 4.232 1.126 -3.407) 5.548 9.074 ( 1.148 2.016 -4.095) 4.706 9.153 ( -1.517 -10.052 -0.264) 10.169 9.539 ( -1.428 -1.619 1.579) 2.674 10.214 ( -2.260 -2.923 -2.002) 4.203 10.497 ( -0.689 -0.924 -1.085) 1.583 10.637 ( -3.914 4.016 -0.295) 5.616 10.860 ( -4.519 11.645 -1.092) 12.539 11.153 ( -0.961 -2.085 0.229) 2.308 11.207 ( -2.682 -1.770 -0.924) 3.343 11.393 ( 5.865 -0.991 -0.522) 5.971 11.646 ( 1.145 9.061 0.807) 9.169 11.880 ( 1.674 2.773 1.799) 3.705 11.984 ( -4.215 7.352 -2.190) 8.752 12.201 ( -0.625 -8.304 0.923) 8.379 12.257 ( -2.523 -6.311 0.419) 6.809 12.449 ( 1.271 2.680 -0.533) 3.013 12.485 ( 2.227 2.985 1.155) 3.899 12.773 ( 0.629 2.063 -0.256) 2.172 12.795 ( 0.174 0.644 -0.243) 0.710 ======================= Grid point 26 (17/192) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 9.534 13.062 8.222) 18.141 3.001 ( 10.013 15.959 6.938) 20.078 3.108 ( 2.939 13.910 -3.948) 14.755 3.174 ( 6.575 10.518 -7.103) 14.294 3.401 ( -6.588 7.857 -8.541) 13.345 3.555 ( -2.862 18.681 3.292) 19.184 3.802 ( 2.243 -1.164 2.429) 3.505 4.032 ( 2.871 -6.470 3.414) 7.859 4.491 ( -4.251 -10.905 -2.997) 12.082 4.951 ( -2.198 2.507 -1.174) 3.534 5.256 ( 3.694 5.467 0.418) 6.612 5.314 ( -2.151 10.134 -1.627) 10.487 5.898 ( -1.811 14.533 2.292) 14.824 6.122 ( 2.858 2.915 0.669) 4.137 6.279 ( 0.675 -2.260 2.852) 3.701 6.387 ( -0.199 2.017 -0.694) 2.143 6.657 ( -5.172 3.305 -3.493) 7.062 6.796 ( -1.777 13.522 0.418) 13.645 7.038 ( 0.231 5.064 -4.665) 6.889 7.119 ( 2.277 -10.160 8.068) 13.172 7.269 ( 9.816 -4.449 3.125) 11.221 7.375 ( 2.585 1.989 1.234) 3.487 7.531 ( -3.016 2.513 1.108) 4.079 7.705 ( -4.557 -1.159 -0.005) 4.702 7.882 ( -6.882 7.940 1.007) 10.555 7.966 ( 6.722 -9.067 2.143) 11.489 8.397 ( -4.449 -5.533 -6.164) 9.402 8.704 ( 4.714 1.716 -3.787) 6.285 8.725 ( 1.866 -6.446 2.459) 7.147 8.913 ( 1.932 -6.116 -0.524) 6.435 9.292 ( 4.762 -6.100 1.217) 7.834 9.439 ( -8.594 -4.690 -2.294) 10.056 10.170 ( -0.998 -3.153 -0.861) 3.418 10.495 ( 1.027 -0.407 -0.388) 1.171 10.580 ( -2.012 4.935 -0.280) 5.336 10.752 ( -4.563 15.203 -1.333) 15.929 11.136 ( -2.402 -0.251 1.110) 2.658 11.180 ( 0.983 -6.356 -0.834) 6.486 11.512 ( 6.491 1.424 0.445) 6.660 11.656 ( -0.587 7.467 0.004) 7.491 11.895 ( -3.616 7.369 -1.350) 8.319 11.948 ( 3.432 4.624 1.949) 6.080 12.179 ( -3.052 -6.128 0.321) 6.853 12.222 ( -0.886 -10.584 0.156) 10.622 12.465 ( 0.755 2.087 -0.187) 2.227 12.528 ( 1.312 4.634 0.714) 4.869 12.779 ( 0.309 2.440 -0.315) 2.479 12.797 ( 0.190 1.147 -0.054) 1.164 ======================= Grid point 27 (18/192) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 0.000 10.833 0.000) 10.833 3.049 ( 0.000 15.230 0.000) 15.230 3.167 ( 0.000 8.444 0.000) 8.444 3.239 ( 0.000 21.066 -0.000) 21.066 3.248 ( 0.000 7.380 0.000) 7.380 3.557 ( 0.000 23.832 0.000) 23.832 3.838 ( 0.000 -8.837 0.000) 8.837 4.080 ( 0.000 -10.617 0.000) 10.617 4.430 ( 0.000 -10.100 0.000) 10.100 4.926 ( 0.000 4.184 0.000) 4.184 5.278 ( 0.000 7.584 0.000) 7.584 5.305 ( 0.000 3.987 0.000) 3.987 5.880 ( 0.000 14.929 0.000) 14.929 6.174 ( 0.000 4.434 -0.000) 4.434 6.266 ( 0.000 -6.206 0.000) 6.206 6.400 ( 0.000 3.903 0.000) 3.903 6.582 ( 0.000 0.801 0.000) 0.801 6.780 ( 0.000 18.064 0.000) 18.064 7.019 ( 0.000 5.603 0.000) 5.603 7.189 ( 0.000 -10.088 -0.000) 10.088 7.407 ( 0.000 -4.357 0.000) 4.357 7.421 ( 0.000 3.232 0.000) 3.232 7.496 ( 0.000 1.308 0.000) 1.308 7.649 ( -0.000 -0.936 0.000) 0.936 7.804 ( 0.000 14.135 0.000) 14.135 8.113 ( -0.000 -19.786 -0.000) 19.786 8.249 ( 0.000 4.276 0.000) 4.276 8.700 ( 0.000 -12.488 -0.000) 12.488 8.716 ( 0.000 4.147 0.000) 4.147 9.106 ( -0.000 -11.428 -0.000) 11.428 9.211 ( 0.000 1.248 0.000) 1.248 9.365 ( 0.000 -7.508 0.000) 7.508 10.158 ( 0.000 -3.010 0.000) 3.010 10.509 ( 0.000 -1.014 -0.000) 1.014 10.559 ( 0.000 4.204 0.000) 4.204 10.700 ( 0.000 18.004 0.000) 18.004 11.116 ( 0.000 -0.523 0.000) 0.523 11.189 ( 0.000 -7.528 0.000) 7.528 11.593 ( 0.000 10.134 0.000) 10.134 11.639 ( -0.000 -2.744 0.000) 2.744 11.847 ( 0.000 9.348 0.000) 9.348 12.004 ( 0.000 8.835 0.000) 8.835 12.136 ( 0.000 -9.252 0.000) 9.252 12.217 ( 0.000 -11.580 0.000) 11.580 12.471 ( 0.000 1.847 0.000) 1.847 12.543 ( 0.000 5.248 0.000) 5.248 12.779 ( 0.000 2.369 0.000) 2.369 12.799 ( 0.000 1.564 0.000) 1.564 ======================= Grid point 33 (19/192) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 0.000 30.111 0.000) 30.111 2.203 ( 0.000 34.114 0.000) 34.114 3.310 ( 0.000 7.364 0.000) 7.364 3.436 ( 0.000 12.023 0.000) 12.023 3.620 ( 0.000 24.434 0.000) 24.434 3.821 ( 0.000 -5.462 0.000) 5.462 3.890 ( 0.000 34.944 0.000) 34.944 4.264 ( 0.000 15.243 0.000) 15.243 4.518 ( 0.000 -19.747 0.000) 19.747 5.035 ( 0.000 -19.419 0.000) 19.419 5.364 ( 0.000 3.385 0.000) 3.385 5.434 ( 0.000 5.295 0.000) 5.295 5.784 ( 0.000 -0.627 0.000) 0.627 5.832 ( 0.000 5.010 0.000) 5.010 6.143 ( 0.000 3.827 0.000) 3.827 6.647 ( 0.000 -2.843 0.000) 2.843 6.760 ( 0.000 2.184 0.000) 2.184 6.854 ( 0.000 4.188 0.000) 4.188 6.976 ( 0.000 2.766 0.000) 2.766 7.225 ( 0.000 -2.678 0.000) 2.678 7.315 ( 0.000 -6.824 0.000) 6.824 7.386 ( 0.000 8.672 0.000) 8.672 7.426 ( 0.000 -0.493 0.000) 0.493 7.882 ( 0.000 10.619 0.000) 10.619 7.890 ( 0.000 -0.550 0.000) 0.550 8.079 ( 0.000 1.991 0.000) 1.991 8.305 ( 0.000 2.499 0.000) 2.499 8.320 ( 0.000 8.610 0.000) 8.610 8.538 ( 0.000 -10.561 0.000) 10.561 8.914 ( 0.000 3.413 0.000) 3.413 8.985 ( 0.000 0.207 0.000) 0.207 9.631 ( 0.000 4.485 0.000) 4.485 10.328 ( 0.000 -3.411 0.000) 3.411 10.477 ( 0.000 -12.658 0.000) 12.658 10.768 ( 0.000 -7.615 0.000) 7.615 10.889 ( 0.000 5.069 0.000) 5.069 11.103 ( 0.000 -3.102 0.000) 3.102 11.227 ( 0.000 2.381 0.000) 2.381 11.424 ( 0.000 -5.577 0.000) 5.577 11.828 ( 0.000 -0.968 0.000) 0.968 11.917 ( 0.000 6.861 0.000) 6.861 12.046 ( 0.000 -6.541 0.000) 6.541 12.096 ( 0.000 -4.127 0.000) 4.127 12.346 ( 0.000 1.436 0.000) 1.436 12.396 ( 0.000 -0.573 0.000) 0.573 12.561 ( 0.000 6.352 0.000) 6.352 12.737 ( 0.000 -2.728 0.000) 2.728 12.786 ( 0.000 1.717 0.000) 1.717 ======================= Grid point 34 (20/192) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 5.135 29.285 2.956) 29.878 2.294 ( 8.183 28.748 3.623) 30.109 3.344 ( 2.262 7.346 0.625) 7.712 3.398 ( -1.795 11.669 -0.756) 11.830 3.584 ( 0.938 10.781 -11.525) 15.809 3.856 ( 2.500 4.895 3.421) 6.475 3.933 ( 1.794 35.544 4.978) 35.935 4.239 ( -1.974 14.708 -1.469) 14.913 4.493 ( -3.326 -19.636 1.469) 19.969 5.001 ( -4.063 -15.633 2.466) 16.340 5.353 ( 1.132 1.307 -2.121) 2.736 5.577 ( 11.746 6.127 1.511) 13.334 5.789 ( -2.437 3.703 -1.995) 4.861 5.844 ( 4.575 0.712 1.585) 4.894 6.152 ( -0.488 2.040 2.954) 3.623 6.633 ( -3.654 -2.813 3.492) 5.784 6.731 ( -4.412 3.676 0.784) 5.796 6.840 ( -2.204 3.063 5.001) 6.265 7.013 ( 5.210 6.919 -7.183) 11.252 7.059 ( -8.514 -3.371 -0.852) 9.196 7.250 ( -1.967 -4.701 -1.623) 5.349 7.396 ( 2.202 1.149 -3.433) 4.237 7.621 ( 4.358 5.104 5.190) 8.484 7.805 ( 1.960 1.269 -1.201) 2.626 7.965 ( -3.096 2.132 1.411) 4.015 8.126 ( 3.869 0.766 -0.628) 3.994 8.197 ( -0.090 9.271 0.226) 9.274 8.446 ( -2.156 -4.895 -1.939) 5.690 8.510 ( 5.472 0.507 -1.571) 5.715 8.684 ( -4.470 2.880 -3.859) 6.571 9.236 ( 7.811 -3.765 7.668) 11.575 9.611 ( -2.094 4.837 -1.656) 5.525 10.308 ( -1.640 -4.846 -1.535) 5.341 10.484 ( 0.940 -5.495 0.381) 5.588 10.744 ( -1.987 -6.624 -0.817) 6.963 10.917 ( 2.600 2.461 0.739) 3.656 11.107 ( -0.000 -4.992 -1.777) 5.299 11.181 ( -1.134 1.834 -1.801) 2.810 11.462 ( -0.128 -1.140 4.943) 5.075 11.792 ( -1.666 -0.079 -4.320) 4.630 11.868 ( -2.279 2.521 -1.968) 3.927 12.056 ( -0.270 -5.064 1.427) 5.268 12.140 ( 0.920 -3.829 4.912) 6.295 12.324 ( -2.953 0.285 -2.927) 4.168 12.395 ( 1.847 1.330 0.442) 2.318 12.546 ( -0.301 7.012 -1.170) 7.115 12.744 ( 0.451 -2.507 0.227) 2.558 12.798 ( 1.220 1.660 -0.194) 2.070 ======================= Grid point 35 (21/192) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 8.330 24.893 6.285) 26.992 2.545 ( 13.586 19.405 5.881) 24.407 3.336 ( 2.868 11.560 -7.509) 14.080 3.436 ( 1.532 7.222 4.514) 8.653 3.465 ( -0.198 4.146 -10.980) 11.738 3.909 ( -1.187 -0.930 3.333) 3.658 4.049 ( 4.609 35.276 2.309) 35.650 4.171 ( -3.687 16.985 -0.193) 17.382 4.434 ( -4.148 -17.307 0.727) 17.812 4.955 ( -3.391 -12.093 1.701) 12.674 5.356 ( 1.124 3.532 -1.730) 4.090 5.697 ( -4.072 4.418 -3.421) 6.914 5.820 ( 11.264 6.852 2.593) 13.437 5.979 ( 6.268 1.546 3.412) 7.302 6.197 ( 3.163 -1.982 2.543) 4.516 6.566 ( -8.044 3.942 5.829) 10.688 6.670 ( -1.590 -0.706 -0.281) 1.762 6.854 ( -0.910 3.532 3.169) 4.832 6.909 ( -6.631 -1.093 5.037) 8.398 7.100 ( 8.538 2.066 -7.009) 11.238 7.233 ( 0.838 -3.508 -0.867) 3.709 7.337 ( -6.105 3.474 -2.764) 7.549 7.632 ( -0.897 -0.725 -1.408) 1.820 7.814 ( -2.788 2.560 -1.481) 4.065 7.932 ( -0.483 0.934 3.108) 3.281 8.140 ( -2.788 3.729 -6.235) 7.782 8.222 ( 4.244 4.599 -1.973) 6.561 8.384 ( 3.065 -0.596 2.756) 4.165 8.631 ( 5.157 -0.562 -0.702) 5.235 8.772 ( 10.596 0.059 4.560) 11.536 9.335 ( -3.492 -5.035 0.631) 6.159 9.524 ( -3.706 1.449 -1.801) 4.368 10.246 ( -2.576 -2.923 -2.424) 4.589 10.508 ( 1.105 2.750 -0.469) 3.000 10.697 ( -1.945 -3.992 -0.685) 4.493 10.982 ( 2.485 -0.307 -0.473) 2.548 11.059 ( 0.813 -6.465 -3.576) 7.433 11.210 ( 2.084 1.620 3.226) 4.169 11.457 ( -5.177 4.600 1.716) 7.135 11.725 ( 0.602 0.802 -3.267) 3.417 11.840 ( 0.003 -3.084 -0.271) 3.096 12.053 ( -1.757 -5.198 1.676) 5.737 12.167 ( -3.332 -3.254 1.044) 4.772 12.227 ( -2.914 1.326 -0.575) 3.252 12.464 ( 3.879 2.408 1.765) 4.895 12.540 ( 0.950 7.013 -1.421) 7.218 12.758 ( 0.895 -1.715 0.285) 1.955 12.816 ( 1.076 1.530 -0.657) 1.982 ======================= Grid point 36 (22/192) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 9.236 19.784 8.098) 23.287 2.868 ( 14.396 10.975 6.644) 19.283 3.326 ( 4.554 7.353 -9.882) 13.133 3.400 ( 3.605 10.402 -5.874) 12.478 3.516 ( 1.101 2.003 4.981) 5.481 3.857 ( -3.298 1.364 -5.388) 6.462 4.035 ( -5.949 12.529 3.150) 14.223 4.164 ( -1.810 23.364 2.310) 23.547 4.372 ( -2.033 -7.109 -1.097) 7.475 4.912 ( -1.970 -9.684 -0.061) 9.883 5.360 ( 0.861 4.988 -1.152) 5.191 5.581 ( -5.149 4.313 -2.906) 7.318 6.009 ( 7.540 6.334 0.706) 9.873 6.099 ( 1.851 1.807 6.448) 6.948 6.258 ( -1.370 -1.363 0.833) 2.104 6.539 ( 1.290 13.999 2.133) 14.219 6.676 ( 3.584 -8.354 -1.578) 9.226 6.869 ( -5.493 -2.181 7.010) 9.169 6.901 ( 0.151 0.318 7.373) 7.382 7.132 ( -4.741 2.838 -3.162) 6.366 7.181 ( 7.575 4.053 -6.915) 11.028 7.305 ( 2.287 -5.947 3.638) 7.337 7.617 ( 1.396 1.978 -2.868) 3.754 7.726 ( -6.295 1.772 -0.482) 6.557 7.927 ( -0.195 4.049 -1.587) 4.353 8.049 ( -2.876 4.645 0.157) 5.466 8.349 ( 9.532 -1.490 -1.475) 9.760 8.443 ( 1.503 -0.079 1.674) 2.251 8.724 ( 3.541 0.164 -0.441) 3.572 9.006 ( 8.299 -2.152 4.920) 9.885 9.145 ( -9.119 3.162 -7.021) 11.935 9.457 ( -5.085 -7.650 0.216) 9.188 10.182 ( -1.636 0.587 -2.240) 2.835 10.515 ( 0.838 4.635 -0.933) 4.801 10.666 ( -1.089 -1.037 -0.459) 1.572 10.958 ( 0.646 -5.121 -5.483) 7.530 11.092 ( 0.251 1.980 2.030) 2.847 11.253 ( -3.798 2.760 2.062) 5.128 11.391 ( 2.925 1.648 -0.553) 3.403 11.748 ( 2.194 0.403 -0.221) 2.241 11.850 ( 0.768 -4.274 0.774) 4.411 12.030 ( -2.099 -6.611 1.176) 7.035 12.077 ( -3.217 0.669 -2.725) 4.269 12.194 ( -4.032 -1.591 3.013) 5.279 12.531 ( 1.170 5.425 -0.065) 5.550 12.568 ( 3.542 4.892 0.746) 6.086 12.784 ( 1.486 -0.446 0.503) 1.630 12.823 ( 0.496 1.401 -0.848) 1.711 ======================= Grid point 37 (23/192) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 7.214 16.544 6.589) 19.214 3.147 ( 8.735 5.379 4.807) 11.329 3.309 ( 0.970 7.768 -5.380) 9.499 3.409 ( 1.032 5.476 -4.720) 7.303 3.591 ( 4.582 2.685 3.359) 6.284 3.776 ( 3.539 8.459 -8.105) 12.238 3.956 ( -8.519 5.319 7.535) 12.556 4.102 ( -4.518 13.907 -0.975) 14.655 4.329 ( -1.656 3.247 -1.786) 4.059 4.895 ( 0.356 -7.749 -0.255) 7.761 5.362 ( 0.444 3.492 -0.996) 3.659 5.465 ( -4.564 3.091 -1.932) 5.841 6.103 ( 1.649 5.499 1.105) 5.847 6.163 ( 0.221 1.972 2.350) 3.076 6.217 ( -1.632 -0.684 1.073) 2.069 6.567 ( -0.424 12.873 1.644) 12.984 6.659 ( -3.260 -1.487 -5.045) 6.188 6.841 ( -0.729 -4.035 3.328) 5.281 7.011 ( 1.695 -2.380 8.253) 8.755 7.175 ( 7.713 1.898 -2.352) 8.284 7.262 ( 7.468 4.163 -0.909) 8.598 7.424 ( 4.194 -2.876 7.796) 9.308 7.596 ( -6.047 3.298 2.270) 7.252 7.613 ( 2.979 0.933 -10.274) 10.738 7.917 ( -1.754 4.844 -1.020) 5.252 7.997 ( -4.576 2.042 5.615) 7.525 8.376 ( 0.540 3.597 -3.891) 5.326 8.587 ( -1.323 -4.881 -2.364) 5.582 8.695 ( 6.383 -5.967 0.049) 8.738 8.986 ( -1.345 13.017 -1.169) 13.139 9.180 ( 5.048 -4.910 1.639) 7.230 9.310 ( -9.935 -9.527 -2.044) 13.915 10.149 ( -0.360 2.474 -1.071) 2.720 10.528 ( 1.097 4.088 -0.095) 4.233 10.638 ( -1.144 1.044 -1.016) 1.852 10.942 ( 2.601 -1.141 -3.163) 4.251 11.070 ( -3.555 1.759 0.538) 4.003 11.178 ( -3.450 2.951 0.503) 4.568 11.510 ( 7.062 -0.344 1.006) 7.142 11.749 ( -2.355 0.566 -0.244) 2.434 11.892 ( 3.123 -6.818 0.698) 7.532 12.006 ( -1.143 -8.732 0.124) 8.808 12.023 ( -1.011 3.669 -1.193) 3.988 12.136 ( -4.617 -2.038 2.138) 5.481 12.539 ( 0.336 5.762 -0.399) 5.786 12.637 ( 2.418 5.284 0.941) 5.887 12.814 ( 1.180 0.821 0.386) 1.489 12.820 ( 0.049 1.219 -0.552) 1.339 ======================= Grid point 38 (24/192) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 0.000 16.227 0.000) 16.227 3.208 ( 0.000 4.654 0.000) 4.654 3.308 ( 0.000 6.487 0.000) 6.487 3.383 ( 0.000 4.753 0.000) 4.753 3.697 ( 0.000 -5.148 0.000) 5.148 3.782 ( 0.000 25.263 0.000) 25.263 3.893 ( 0.000 -6.842 0.000) 6.842 4.043 ( 0.000 14.182 0.000) 14.182 4.297 ( 0.000 5.541 0.000) 5.541 4.903 ( 0.000 -6.960 0.000) 6.960 5.360 ( 0.000 2.181 0.000) 2.181 5.407 ( 0.000 2.251 0.000) 2.251 6.107 ( 0.000 6.256 0.000) 6.256 6.197 ( 0.000 -0.708 -0.000) 0.708 6.198 ( -0.000 1.329 0.000) 1.329 6.572 ( 0.000 12.213 0.000) 12.213 6.590 ( 0.000 -0.099 0.000) 0.099 6.856 ( 0.000 -4.619 0.000) 4.619 7.070 ( 0.000 -2.895 -0.000) 2.895 7.222 ( 0.000 5.288 0.000) 5.288 7.389 ( 0.000 5.087 0.000) 5.087 7.540 ( 0.000 7.960 -0.000) 7.960 7.555 ( -0.000 -9.668 0.000) 9.668 7.556 ( 0.000 3.503 -0.000) 3.503 7.856 ( 0.000 -2.683 0.000) 2.683 8.003 ( 0.000 7.439 -0.000) 7.439 8.369 ( 0.000 7.839 -0.000) 7.839 8.457 ( 0.000 -10.566 0.000) 10.566 8.902 ( -0.000 -8.082 0.000) 8.082 8.956 ( -0.000 15.689 0.000) 15.689 9.143 ( 0.000 -8.325 0.000) 8.325 9.234 ( 0.000 -5.558 0.000) 5.558 10.142 ( 0.000 2.946 0.000) 2.946 10.541 ( 0.000 3.427 -0.000) 3.427 10.619 ( 0.000 1.784 0.000) 1.784 10.971 ( -0.000 8.441 0.000) 8.441 11.018 ( 0.000 -6.617 -0.000) 6.617 11.149 ( 0.000 2.641 -0.000) 2.641 11.608 ( 0.000 -0.320 0.000) 0.320 11.696 ( -0.000 -0.006 -0.000) 0.006 11.945 ( 0.000 -9.140 -0.000) 9.140 11.996 ( -0.000 4.595 0.000) 4.595 11.997 ( 0.000 -9.198 -0.000) 9.198 12.098 ( 0.000 -0.385 0.000) 0.385 12.539 ( 0.000 5.597 0.000) 5.597 12.664 ( 0.000 5.761 0.000) 5.761 12.817 ( 0.000 1.187 0.000) 1.187 12.828 ( 0.000 1.245 0.000) 1.245 ======================= Grid point 44 (25/192) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 0.000 25.294 0.000) 25.294 2.865 ( 0.000 30.624 0.000) 30.624 3.351 ( 0.000 -2.703 0.000) 2.703 3.687 ( 0.000 13.120 0.000) 13.120 3.771 ( 0.000 0.198 0.000) 0.198 3.789 ( 0.000 0.045 0.000) 0.045 4.009 ( 0.000 -25.337 0.000) 25.337 4.443 ( 0.000 -16.974 0.000) 16.974 4.691 ( 0.000 34.284 0.000) 34.284 4.868 ( 0.000 18.855 0.000) 18.855 5.367 ( 0.000 -3.730 0.000) 3.730 5.549 ( 0.000 5.479 0.000) 5.479 5.729 ( 0.000 -5.686 0.000) 5.686 5.768 ( 0.000 -9.845 0.000) 9.845 6.270 ( 0.000 7.584 0.000) 7.584 6.563 ( 0.000 -5.695 0.000) 5.695 6.808 ( 0.000 2.026 0.000) 2.026 6.894 ( 0.000 3.473 0.000) 3.473 6.980 ( 0.000 -2.388 0.000) 2.388 7.155 ( 0.000 -8.253 0.000) 8.253 7.329 ( 0.000 7.329 0.000) 7.329 7.415 ( 0.000 -0.308 0.000) 0.308 7.595 ( 0.000 11.834 0.000) 11.834 7.939 ( 0.000 -2.661 0.000) 2.661 8.027 ( 0.000 13.405 0.000) 13.405 8.189 ( 0.000 7.067 0.000) 7.067 8.358 ( 0.000 -4.260 0.000) 4.260 8.384 ( 0.000 2.375 0.000) 2.375 8.430 ( 0.000 0.738 0.000) 0.738 8.814 ( 0.000 -15.916 0.000) 15.916 9.034 ( 0.000 9.321 0.000) 9.321 9.704 ( 0.000 -8.737 0.000) 8.737 10.120 ( 0.000 0.826 0.000) 0.826 10.492 ( 0.000 7.585 0.000) 7.585 10.560 ( 0.000 -11.442 0.000) 11.442 10.941 ( 0.000 -2.360 0.000) 2.360 11.105 ( 0.000 3.464 0.000) 3.464 11.272 ( 0.000 -7.639 0.000) 7.639 11.364 ( 0.000 9.481 0.000) 9.481 11.744 ( 0.000 -6.885 0.000) 6.885 11.935 ( 0.000 -3.202 0.000) 3.202 11.983 ( 0.000 -0.531 0.000) 0.531 12.086 ( 0.000 2.475 0.000) 2.475 12.311 ( 0.000 -5.390 0.000) 5.390 12.435 ( 0.000 4.898 0.000) 4.898 12.661 ( 0.000 -4.701 0.000) 4.701 12.687 ( 0.000 5.639 0.000) 5.639 12.805 ( 0.000 -0.048 0.000) 0.048 ======================= Grid point 45 (26/192) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 3.525 23.865 1.789) 24.190 2.879 ( 1.326 27.684 1.005) 27.734 3.379 ( 0.831 -2.789 3.121) 4.267 3.645 ( -2.403 12.734 -3.036) 13.309 3.701 ( 0.007 4.398 -7.932) 9.069 3.842 ( 1.121 -3.227 2.282) 4.108 4.015 ( -1.197 -23.590 3.282) 23.847 4.394 ( -4.044 -14.226 -1.623) 14.878 4.720 ( 1.686 32.130 2.016) 32.238 4.866 ( -0.370 16.413 0.445) 16.423 5.357 ( -0.321 -2.931 0.275) 2.961 5.657 ( 7.559 -0.777 -1.630) 7.772 5.734 ( 2.071 -5.966 0.706) 6.355 5.808 ( 5.820 -3.676 0.877) 6.940 6.268 ( -1.284 7.644 1.831) 7.964 6.553 ( -2.565 -5.185 2.559) 6.325 6.792 ( -6.418 1.978 0.013) 6.716 6.817 ( -2.198 -1.915 3.074) 4.237 7.042 ( 2.378 1.786 0.470) 3.011 7.122 ( -3.429 -3.270 3.009) 5.612 7.250 ( -2.160 7.664 -5.853) 9.882 7.408 ( 3.984 -1.048 -1.257) 4.307 7.793 ( 9.039 9.389 3.859) 13.593 7.832 ( -7.695 5.013 -0.939) 9.232 8.016 ( -8.348 3.135 -5.233) 10.339 8.175 ( 6.011 2.379 0.367) 6.475 8.280 ( -3.641 -6.010 -6.513) 9.581 8.355 ( 4.731 3.816 2.536) 6.586 8.589 ( 6.165 3.301 1.924) 7.253 8.738 ( -2.414 -1.491 -1.989) 3.465 9.129 ( 3.972 -1.352 4.970) 6.504 9.635 ( -5.732 -9.456 -3.256) 11.527 10.156 ( 2.403 1.218 1.702) 3.187 10.538 ( 2.694 -0.620 -0.389) 2.792 10.576 ( 3.250 -1.860 1.427) 4.008 10.935 ( 1.090 -2.017 -2.155) 3.147 11.073 ( -2.543 2.210 -3.299) 4.715 11.234 ( -1.346 -0.247 0.448) 1.440 11.447 ( 3.422 2.949 5.168) 6.864 11.708 ( -1.001 -6.214 -3.310) 7.112 11.901 ( -4.835 0.477 -2.896) 5.657 11.972 ( -0.285 -3.513 3.204) 4.763 12.108 ( -0.277 0.351 3.170) 3.202 12.271 ( -2.671 -4.954 -2.067) 5.995 12.460 ( 2.221 4.831 0.895) 5.392 12.672 ( 1.013 -3.042 -0.418) 3.233 12.687 ( 0.572 4.816 -0.318) 4.861 12.815 ( 1.217 -0.221 -0.589) 1.370 ======================= Grid point 46 (27/192) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 4.833 20.615 3.270) 21.425 2.955 ( 5.232 20.357 3.228) 21.265 3.417 ( 0.054 -2.530 2.324) 3.436 3.570 ( -1.181 11.717 -4.049) 12.453 3.639 ( 0.425 7.202 -5.651) 9.165 3.862 ( 0.272 -4.980 -0.736) 5.042 4.022 ( -1.807 -18.908 3.449) 19.304 4.290 ( -4.541 -9.821 -2.504) 11.107 4.768 ( 0.777 26.549 2.056) 26.640 4.862 ( -0.460 13.469 0.185) 13.478 5.365 ( 0.151 -3.537 0.988) 3.675 5.620 ( -3.325 -10.840 -3.579) 11.890 5.929 ( 10.395 3.374 3.240) 11.399 6.001 ( 14.569 -0.024 -0.454) 14.576 6.255 ( -2.485 6.456 2.522) 7.363 6.520 ( -4.015 -4.792 3.425) 7.128 6.704 ( -5.060 1.307 4.989) 7.225 6.788 ( -4.919 -4.706 6.159) 9.181 7.040 ( -0.977 6.022 -2.532) 6.605 7.149 ( 1.819 2.263 4.241) 5.140 7.206 ( 4.056 3.053 -7.777) 9.287 7.448 ( -3.991 4.148 -4.896) 7.557 7.627 ( -4.030 0.424 1.531) 4.332 7.789 ( -9.493 -2.660 -1.191) 9.930 7.969 ( 4.731 3.824 -0.016) 6.083 8.150 ( -1.880 -2.028 -6.779) 7.321 8.356 ( 8.871 6.904 1.399) 11.328 8.498 ( 6.961 7.446 -0.048) 10.193 8.597 ( -1.215 -0.425 -0.040) 1.288 8.827 ( 8.425 1.846 3.260) 9.220 9.212 ( 0.186 -4.830 3.187) 5.790 9.444 ( -10.144 -10.124 -5.409) 15.319 10.214 ( 2.136 2.988 1.033) 3.815 10.558 ( 1.947 -7.807 -1.330) 8.155 10.686 ( 4.282 10.235 0.920) 11.132 10.934 ( 0.293 -2.052 -6.451) 6.776 11.008 ( 1.956 1.311 1.120) 2.607 11.236 ( -0.362 -1.454 1.443) 2.080 11.518 ( -2.296 1.957 3.202) 4.399 11.667 ( 0.174 -5.540 -2.706) 6.168 11.806 ( -1.267 1.463 -1.059) 2.206 11.966 ( -2.929 -3.933 1.827) 5.233 12.108 ( -3.626 -1.968 2.671) 4.915 12.202 ( -2.919 -3.707 -0.897) 4.803 12.531 ( 4.238 4.250 1.588) 6.208 12.681 ( 1.377 4.733 -1.770) 5.238 12.712 ( 1.754 -1.425 0.842) 2.412 12.830 ( 1.129 -0.449 -1.113) 1.648 ======================= Grid point 47 (28/192) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 5.464 15.638 5.610) 17.489 3.112 ( 7.545 12.144 3.683) 14.764 3.437 ( 2.383 3.544 -1.366) 4.484 3.538 ( -0.399 5.467 0.205) 5.485 3.588 ( -1.488 5.255 -4.134) 6.850 3.844 ( 0.513 -1.753 -3.659) 4.089 4.010 ( -2.519 -13.621 1.894) 13.981 4.203 ( -2.984 -6.386 -0.756) 7.089 4.767 ( -2.414 19.585 0.444) 19.739 4.856 ( 0.081 14.545 -0.522) 14.554 5.370 ( -0.646 -4.598 0.539) 4.675 5.514 ( -4.311 -10.016 -3.692) 11.512 6.112 ( 7.221 3.821 -0.067) 8.170 6.204 ( 3.316 7.264 1.420) 8.110 6.242 ( -0.207 -0.717 2.293) 2.411 6.509 ( 1.798 -7.386 -0.718) 7.636 6.733 ( 1.490 3.094 8.631) 9.289 6.807 ( -1.929 -2.892 11.183) 11.711 6.969 ( -4.641 5.363 -3.185) 7.775 7.149 ( -3.665 -4.156 -2.347) 6.018 7.248 ( 6.306 4.763 -3.807) 8.772 7.284 ( -0.647 6.023 -2.266) 6.468 7.658 ( -0.644 0.295 2.216) 2.326 7.723 ( 1.546 -1.252 2.192) 2.960 7.982 ( -0.602 3.106 -2.562) 4.071 8.119 ( 0.810 -1.126 -0.779) 1.590 8.408 ( 1.015 9.517 -2.646) 9.930 8.556 ( 3.439 7.619 -2.130) 8.627 8.688 ( 4.149 -1.482 0.522) 4.437 9.003 ( 6.326 -0.887 2.610) 6.900 9.159 ( -6.761 -4.826 -3.648) 9.072 9.238 ( -5.916 -10.101 -0.223) 11.708 10.252 ( 1.455 6.067 0.351) 6.249 10.588 ( 2.406 -6.178 -1.280) 6.753 10.698 ( -1.429 11.900 -2.477) 12.239 10.893 ( 3.705 1.676 -5.237) 6.630 11.125 ( 4.217 -0.115 4.254) 5.992 11.225 ( -1.935 -5.732 -0.442) 6.066 11.456 ( -2.522 3.929 0.665) 4.716 11.662 ( 0.640 -6.685 -1.016) 6.792 11.830 ( 1.071 2.445 1.930) 3.294 11.921 ( -2.907 -3.826 0.272) 4.813 12.042 ( -3.881 -3.294 0.519) 5.117 12.137 ( -4.654 -4.411 0.611) 6.441 12.630 ( 4.116 4.212 1.802) 6.159 12.688 ( 1.388 5.963 -1.472) 6.297 12.764 ( 2.684 -1.467 1.166) 3.274 12.833 ( 0.526 -0.557 -1.158) 1.389 ======================= Grid point 48 (29/192) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 4.808 10.770 6.494) 13.464 3.273 ( 6.173 5.983 3.005) 9.107 3.456 ( 1.088 8.265 -5.323) 9.891 3.487 ( -3.272 4.026 -3.542) 6.282 3.580 ( 1.635 -0.985 4.323) 4.725 3.828 ( 2.176 1.558 -4.116) 4.910 3.973 ( -2.676 -8.877 0.696) 9.298 4.164 ( -1.849 -2.999 0.919) 3.641 4.710 ( -2.840 16.849 -0.625) 17.098 4.852 ( 0.169 13.831 -0.691) 13.849 5.346 ( -2.384 -7.276 -0.102) 7.658 5.410 ( -2.532 -6.812 -3.146) 7.919 6.178 ( 1.943 2.078 -1.998) 3.476 6.201 ( -3.146 2.516 4.256) 5.859 6.275 ( 1.228 4.530 0.100) 4.695 6.529 ( 1.038 -7.930 -1.338) 8.109 6.797 ( -2.128 0.276 1.676) 2.723 6.822 ( -3.937 7.090 -2.827) 8.588 6.954 ( 2.758 -1.410 10.392) 10.844 7.168 ( 2.542 -5.038 3.967) 6.897 7.318 ( 5.881 -0.864 -2.286) 6.368 7.352 ( 8.204 2.606 -0.102) 8.609 7.687 ( -0.214 7.047 1.872) 7.294 7.759 ( 2.136 8.973 -1.835) 9.404 7.968 ( -0.230 -0.999 0.722) 1.253 8.045 ( -6.447 3.528 1.539) 7.509 8.494 ( 8.398 1.577 -2.569) 8.923 8.559 ( -10.750 2.499 -8.439) 13.893 8.619 ( 4.343 2.656 2.213) 5.551 9.044 ( -6.818 -14.271 -2.444) 16.004 9.091 ( 3.760 -2.678 0.394) 4.633 9.184 ( -0.630 1.584 1.957) 2.596 10.276 ( 0.890 8.596 0.128) 8.642 10.608 ( 1.533 -3.508 -2.108) 4.370 10.644 ( -1.789 7.653 -1.002) 7.923 10.956 ( 6.559 5.806 -2.313) 9.060 11.131 ( -3.811 -0.936 -1.096) 4.074 11.206 ( -1.364 1.059 2.491) 3.032 11.503 ( 4.518 0.027 2.018) 4.948 11.663 ( 0.260 -7.715 -1.334) 7.834 11.811 ( -3.355 -1.326 0.531) 3.647 11.894 ( -0.348 -0.511 0.369) 0.720 12.012 ( -1.971 -7.481 1.565) 7.893 12.052 ( -3.291 -3.074 -0.739) 4.564 12.673 ( 0.417 6.460 -0.301) 6.481 12.731 ( 2.909 3.898 0.647) 4.907 12.819 ( 1.750 -0.541 0.945) 2.061 12.829 ( 0.179 -0.504 -0.742) 0.915 ======================= Grid point 49 (30/192) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 0.000 3.342 0.000) 3.342 3.336 ( 0.000 14.815 0.000) 14.815 3.415 ( 0.000 0.795 0.000) 0.795 3.429 ( -0.000 5.169 -0.000) 5.169 3.632 ( 0.000 -1.154 0.000) 1.154 3.834 ( -0.000 1.334 0.000) 1.334 3.945 ( 0.000 -6.938 0.000) 6.938 4.150 ( 0.000 -0.261 0.000) 0.261 4.678 ( 0.000 16.566 0.000) 16.566 4.850 ( 0.000 12.332 0.000) 12.332 5.309 ( 0.000 -9.222 0.000) 9.222 5.377 ( 0.000 -4.281 0.000) 4.281 6.181 ( 0.000 2.312 -0.000) 2.312 6.194 ( 0.000 0.736 0.000) 0.736 6.287 ( 0.000 5.266 0.000) 5.266 6.529 ( 0.000 -6.466 0.000) 6.466 6.769 ( 0.000 5.225 0.000) 5.225 6.781 ( -0.000 -0.855 0.000) 0.855 7.031 ( 0.000 0.034 -0.000) 0.034 7.208 ( 0.000 -4.341 0.000) 4.341 7.384 ( -0.000 -4.585 0.000) 4.585 7.496 ( 0.000 -5.895 -0.000) 5.895 7.667 ( -0.000 19.559 -0.000) 19.559 7.751 ( 0.000 9.136 0.000) 9.136 7.906 ( 0.000 4.400 -0.000) 4.400 8.116 ( 0.000 1.900 -0.000) 1.900 8.309 ( 0.000 -2.480 0.000) 2.480 8.551 ( 0.000 7.497 0.000) 7.497 8.793 ( -0.000 -2.552 -0.000) 2.552 8.863 ( 0.000 -15.086 0.000) 15.086 9.139 ( 0.000 -3.493 0.000) 3.493 9.192 ( 0.000 2.755 -0.000) 2.755 10.285 ( 0.000 9.524 0.000) 9.524 10.613 ( 0.000 -3.096 -0.000) 3.096 10.620 ( -0.000 6.947 0.000) 6.947 11.044 ( -0.000 -2.847 0.000) 2.847 11.062 ( 0.000 10.415 0.000) 10.415 11.195 ( 0.000 3.097 0.000) 3.097 11.582 ( 0.000 -3.281 0.000) 3.281 11.633 ( -0.000 -4.722 -0.000) 4.722 11.792 ( -0.000 -5.390 0.000) 5.390 11.895 ( 0.000 0.363 0.000) 0.363 11.969 ( 0.000 -9.826 -0.000) 9.826 12.040 ( 0.000 -1.752 0.000) 1.752 12.674 ( 0.000 6.566 0.000) 6.566 12.764 ( 0.000 3.953 0.000) 3.953 12.823 ( 0.000 -0.742 0.000) 0.742 12.843 ( 0.000 0.010 -0.000) 0.010 ======================= Grid point 55 (31/192) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 0.000 -16.013 0.000) 16.013 3.170 ( 0.000 16.013 0.000) 16.013 3.440 ( 0.000 -26.500 0.000) 26.500 3.440 ( 0.000 26.500 0.000) 26.500 3.798 ( 0.000 -2.066 0.000) 2.066 3.798 ( 0.000 2.066 0.000) 2.066 4.014 ( 0.000 -19.677 0.000) 19.677 4.014 ( 0.000 19.677 0.000) 19.677 5.182 ( 0.000 -15.349 0.000) 15.349 5.182 ( 0.000 15.349 0.000) 15.349 5.379 ( 0.000 -24.468 0.000) 24.468 5.379 ( 0.000 24.468 0.000) 24.468 5.652 ( 0.000 -4.745 0.000) 4.745 5.652 ( 0.000 4.745 0.000) 4.745 6.425 ( 0.000 -7.460 0.000) 7.460 6.425 ( 0.000 7.460 0.000) 7.460 6.892 ( 0.000 -5.509 0.000) 5.509 6.892 ( 0.000 5.509 0.000) 5.509 7.000 ( 0.000 -6.639 0.000) 6.639 7.000 ( 0.000 6.639 0.000) 6.639 7.402 ( 0.000 -1.286 0.000) 1.286 7.402 ( 0.000 1.286 0.000) 1.286 7.837 ( 0.000 -8.559 0.000) 8.559 7.837 ( 0.000 8.559 0.000) 8.559 8.280 ( 0.000 -0.190 0.000) 0.190 8.280 ( 0.000 0.190 0.000) 0.190 8.334 ( 0.000 -9.987 0.000) 9.987 8.334 ( 0.000 9.987 0.000) 9.987 8.493 ( 0.000 -10.093 0.000) 10.093 8.493 ( 0.000 10.093 0.000) 10.093 9.329 ( 0.000 -19.534 0.000) 19.534 9.329 ( 0.000 19.534 0.000) 19.534 10.325 ( 0.000 -11.886 0.000) 11.886 10.325 ( 0.000 11.886 0.000) 11.886 10.737 ( 0.000 -14.846 0.000) 14.846 10.737 ( 0.000 14.846 0.000) 14.846 11.182 ( 0.000 -2.906 0.000) 2.906 11.182 ( 0.000 2.906 0.000) 2.906 11.568 ( 0.000 -9.917 0.000) 9.917 11.568 ( 0.000 9.917 0.000) 9.917 11.935 ( 0.000 -2.633 0.000) 2.633 11.935 ( 0.000 2.633 0.000) 2.633 12.181 ( 0.000 -6.382 0.000) 6.382 12.181 ( 0.000 6.382 0.000) 6.382 12.551 ( 0.000 -5.910 0.000) 5.910 12.551 ( 0.000 5.910 0.000) 5.910 12.776 ( 0.000 -2.922 0.000) 2.922 12.776 ( 0.000 2.922 0.000) 2.922 ======================= Grid point 57 (32/192) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 0.280 -12.028 -0.253) 12.034 3.170 ( 0.280 12.028 -0.253) 12.034 3.456 ( 0.076 -23.072 3.067) 23.275 3.456 ( 0.076 23.072 3.067) 23.275 3.794 ( -0.131 -3.548 -0.923) 3.669 3.794 ( -0.131 3.548 -0.923) 3.669 3.993 ( -0.787 -18.753 -2.014) 18.877 3.993 ( -0.787 18.753 -2.014) 18.877 5.172 ( -0.723 -13.513 -0.464) 13.540 5.172 ( -0.723 13.513 -0.464) 13.540 5.359 ( -1.975 -21.655 -0.043) 21.745 5.359 ( -1.975 21.655 -0.043) 21.745 5.747 ( 9.366 -2.616 1.180) 9.796 5.747 ( 9.366 2.616 1.180) 9.796 6.423 ( -1.391 -7.300 1.708) 7.625 6.423 ( -1.391 7.300 1.708) 7.625 6.811 ( -6.490 -0.791 0.842) 6.592 6.811 ( -6.490 0.791 0.842) 6.592 7.066 ( 3.578 -1.298 1.680) 4.161 7.066 ( 3.578 1.298 1.680) 4.161 7.361 ( -1.285 -3.342 -0.915) 3.696 7.361 ( -1.285 3.342 -0.915) 3.696 7.920 ( 1.088 -1.685 0.229) 2.019 7.920 ( 1.088 1.685 0.229) 2.019 8.104 ( -8.082 -5.897 -7.282) 12.374 8.104 ( -8.082 5.897 -7.282) 12.374 8.323 ( 4.648 -7.207 1.191) 8.658 8.323 ( 4.648 7.207 1.191) 8.658 8.645 ( 6.649 -4.020 2.987) 8.325 8.645 ( 6.649 4.020 2.987) 8.325 9.305 ( -2.852 -16.424 0.080) 16.670 9.305 ( -2.852 16.424 0.080) 16.670 10.333 ( 1.280 -11.216 -0.478) 11.299 10.333 ( 1.280 11.216 -0.478) 11.299 10.773 ( 3.819 -11.921 -0.017) 12.518 10.773 ( 3.819 11.921 -0.017) 12.518 11.169 ( -1.250 -5.101 -0.509) 5.276 11.169 ( -1.250 5.101 -0.509) 5.276 11.572 ( 0.406 -7.117 -0.230) 7.133 11.572 ( 0.406 7.117 -0.230) 7.133 11.915 ( -2.807 -1.737 1.418) 3.592 11.915 ( -2.807 1.737 1.418) 3.592 12.160 ( -1.647 -4.779 -0.314) 5.065 12.160 ( -1.647 4.779 -0.314) 5.065 12.571 ( 1.787 -5.568 0.513) 5.870 12.571 ( 1.787 5.568 0.513) 5.870 12.782 ( 0.971 -3.193 -0.819) 3.436 12.782 ( 0.971 3.193 -0.819) 3.436 ======================= Grid point 59 (33/192) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 1.059 -6.191 0.476) 6.299 3.181 ( 1.059 6.191 0.476) 6.299 3.499 ( 0.166 -16.989 5.230) 17.776 3.499 ( 0.166 16.989 5.230) 17.776 3.767 ( -0.710 -2.419 -3.173) 4.052 3.767 ( -0.710 2.419 -3.173) 4.052 3.965 ( 0.288 -14.166 -2.402) 14.371 3.965 ( 0.288 14.166 -2.402) 14.371 5.152 ( -0.591 -11.485 -1.173) 11.560 5.152 ( -0.591 11.485 -1.173) 11.560 5.312 ( -3.228 -16.084 0.340) 16.408 5.312 ( -3.228 16.084 0.340) 16.408 5.979 ( 13.541 -1.953 1.426) 13.755 5.979 ( 13.541 1.953 1.426) 13.755 6.398 ( -3.331 -6.952 2.060) 7.979 6.398 ( -3.331 6.952 2.060) 7.979 6.727 ( -5.586 -1.629 6.310) 8.584 6.727 ( -5.586 1.629 6.310) 8.584 7.113 ( 2.342 -3.350 -4.175) 5.843 7.113 ( 2.342 3.350 -4.175) 5.843 7.383 ( 2.103 -8.855 0.975) 9.153 7.383 ( 2.103 8.855 0.975) 9.153 7.705 ( -11.868 -5.541 -2.546) 13.343 7.705 ( -11.868 5.541 -2.546) 13.343 8.074 ( 2.176 -5.293 -3.671) 6.799 8.074 ( 2.176 5.293 -3.671) 6.799 8.488 ( 9.446 -6.129 2.865) 11.619 8.488 ( 9.446 6.129 2.865) 11.619 8.745 ( 3.187 -10.492 0.033) 10.966 8.745 ( 3.187 10.492 0.033) 10.966 9.226 ( -5.232 -7.076 -0.928) 8.849 9.226 ( -5.232 7.076 -0.928) 8.849 10.365 ( 2.665 -9.973 -0.251) 10.326 10.365 ( 2.665 9.973 -0.251) 10.326 10.862 ( 5.657 -5.991 -0.476) 8.254 10.862 ( 5.657 5.991 -0.476) 8.254 11.125 ( -2.224 -8.178 -1.653) 8.635 11.125 ( -2.224 8.178 -1.653) 8.635 11.567 ( -1.229 -3.542 0.419) 3.773 11.567 ( -1.229 3.542 0.419) 3.773 11.880 ( -1.933 -4.618 1.411) 5.202 11.880 ( -1.933 4.618 1.411) 5.202 12.117 ( -3.599 -3.180 0.525) 4.831 12.117 ( -3.599 3.180 0.525) 4.831 12.625 ( 3.482 -4.524 0.835) 5.770 12.625 ( 3.482 4.524 0.835) 5.770 12.791 ( 1.058 -3.439 -1.238) 3.806 12.791 ( 1.058 3.439 -1.238) 3.806 ======================= Grid point 61 (34/192) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 2.345 -3.586 2.070) 4.759 3.224 ( 2.345 3.586 2.070) 4.759 3.549 ( -0.784 -7.294 4.639) 8.679 3.549 ( -0.784 7.294 4.639) 8.679 3.726 ( 0.955 -7.682 -4.027) 8.726 3.726 ( 0.955 7.682 -4.027) 8.726 3.955 ( 0.624 -10.327 -1.719) 10.487 3.955 ( 0.624 10.327 -1.719) 10.487 5.121 ( -1.694 -14.251 -1.586) 14.439 5.121 ( -1.694 14.251 -1.586) 14.439 5.255 ( -2.921 -12.997 -0.232) 13.323 5.255 ( -2.921 12.997 -0.232) 13.323 6.187 ( 6.223 -3.477 0.297) 7.135 6.187 ( 6.223 3.477 0.297) 7.135 6.363 ( -0.834 -7.209 0.290) 7.263 6.363 ( -0.834 7.209 0.290) 7.263 6.764 ( 0.011 -1.442 11.669) 11.757 6.764 ( 0.011 1.442 11.669) 11.757 7.061 ( -2.520 -4.064 -5.434) 7.238 7.061 ( -2.520 4.064 -5.434) 7.238 7.347 ( -1.229 -1.839 -4.683) 5.179 7.347 ( -1.229 1.839 -4.683) 5.179 7.674 ( 3.818 -2.586 6.761) 8.184 7.674 ( 3.818 2.586 6.761) 8.184 8.056 ( 0.167 -3.836 -3.577) 5.248 8.056 ( 0.167 3.836 -3.577) 5.248 8.619 ( 1.703 -2.694 -1.019) 3.346 8.619 ( 1.703 2.694 -1.019) 3.346 8.784 ( 1.750 -15.598 -0.458) 15.703 8.784 ( 1.750 15.598 -0.458) 15.703 9.124 ( -3.308 -4.155 -1.442) 5.503 9.124 ( -3.308 4.155 -1.442) 5.503 10.418 ( 3.004 -9.475 0.054) 9.940 10.418 ( 3.004 9.475 0.054) 9.940 10.928 ( 1.541 -5.790 -2.555) 6.514 10.928 ( 1.541 5.790 -2.555) 6.514 11.097 ( 2.161 -1.368 -0.321) 2.578 11.097 ( 2.161 1.368 -0.321) 2.578 11.544 ( -2.020 -4.866 1.647) 5.520 11.544 ( -2.020 4.866 1.647) 5.520 11.877 ( -0.233 -1.614 0.797) 1.815 11.877 ( -0.233 1.614 0.797) 1.815 12.034 ( -5.502 -4.069 0.151) 6.845 12.034 ( -5.502 4.069 0.151) 6.845 12.707 ( 4.149 -3.158 1.114) 5.332 12.707 ( 4.149 3.158 1.114) 5.332 12.795 ( 0.585 -3.293 -1.010) 3.494 12.795 ( 0.585 3.293 -1.010) 3.494 ======================= Grid point 63 (35/192) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 2.711 -2.788 2.930) 4.869 3.298 ( 2.711 2.788 2.930) 4.869 3.540 ( -1.983 -2.075 -0.399) 2.897 3.540 ( -1.983 2.075 -0.399) 2.897 3.740 ( 2.331 -13.143 -0.497) 13.358 3.740 ( 2.331 13.143 -0.497) 13.358 3.951 ( 0.315 -10.325 -0.754) 10.357 3.951 ( 0.315 10.325 -0.754) 10.357 5.060 ( -2.829 -17.437 -1.443) 17.724 5.060 ( -2.829 17.437 -1.443) 17.724 5.211 ( -1.318 -14.077 -0.766) 14.159 5.211 ( -1.318 14.077 -0.766) 14.159 6.217 ( -1.214 -1.193 0.993) 1.970 6.217 ( -1.214 1.193 0.993) 1.970 6.378 ( 1.809 -6.151 -1.059) 6.498 6.378 ( 1.809 6.151 -1.059) 6.498 6.831 ( -2.383 -2.421 0.478) 3.431 6.831 ( -2.383 2.421 0.478) 3.431 7.039 ( 1.029 -6.682 7.453) 10.062 7.039 ( 1.029 6.682 7.453) 10.062 7.340 ( 4.575 -2.330 -3.883) 6.437 7.340 ( 4.575 2.330 -3.883) 6.437 7.824 ( 4.800 -4.354 4.188) 7.716 7.824 ( 4.800 4.354 4.188) 7.716 8.030 ( 0.121 -6.490 -1.107) 6.585 8.030 ( 0.121 6.490 -1.107) 6.585 8.537 ( -5.988 -3.134 -3.935) 7.821 8.537 ( -5.988 3.134 -3.935) 7.821 8.781 ( -0.711 -10.194 -1.369) 10.311 8.781 ( -0.711 10.194 -1.369) 10.311 9.111 ( 1.586 -4.996 0.062) 5.242 9.111 ( 1.586 4.996 0.062) 5.242 10.465 ( 1.875 -9.339 0.060) 9.525 10.465 ( 1.875 9.339 0.060) 9.525 10.887 ( -1.506 -12.856 -2.463) 13.176 10.887 ( -1.506 12.856 -2.463) 13.176 11.184 ( 4.999 -5.511 0.968) 7.503 11.184 ( 4.999 5.511 0.968) 7.503 11.537 ( -0.251 -3.716 1.448) 3.996 11.537 ( -0.251 3.716 1.448) 3.996 11.838 ( -4.852 -5.975 -0.397) 7.707 11.838 ( -4.852 5.975 -0.397) 7.707 11.969 ( -0.912 -5.074 0.177) 5.159 11.969 ( -0.912 5.074 0.177) 5.159 12.773 ( 1.763 -2.453 -0.344) 3.040 12.773 ( 1.763 2.453 -0.344) 3.040 12.803 ( 1.116 -1.349 0.624) 1.859 12.803 ( 1.116 1.349 0.624) 1.859 ======================= Grid point 65 (36/192) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 0.000 -2.787 0.000) 2.787 3.347 ( 0.000 2.787 0.000) 2.787 3.509 ( 0.000 -2.078 0.000) 2.078 3.509 ( 0.000 2.078 0.000) 2.078 3.764 ( 0.000 -11.693 0.000) 11.693 3.764 ( 0.000 11.693 0.000) 11.693 3.951 ( 0.000 -10.964 0.000) 10.964 3.951 ( 0.000 10.964 0.000) 10.964 5.021 ( 0.000 -17.473 0.000) 17.473 5.021 ( 0.000 17.473 0.000) 17.473 5.195 ( 0.000 -14.300 0.000) 14.300 5.195 ( 0.000 14.300 0.000) 14.300 6.208 ( 0.000 -0.053 0.000) 0.053 6.208 ( 0.000 0.053 0.000) 0.053 6.390 ( 0.000 -5.835 0.000) 5.835 6.390 ( 0.000 5.835 -0.000) 5.835 6.795 ( 0.000 -1.027 0.000) 1.027 6.795 ( 0.000 1.027 0.000) 1.027 7.099 ( 0.000 -5.540 0.000) 5.540 7.099 ( 0.000 5.540 -0.000) 5.540 7.383 ( 0.000 -3.825 0.000) 3.825 7.383 ( 0.000 3.825 -0.000) 3.825 7.886 ( 0.000 -3.016 0.000) 3.016 7.886 ( -0.000 3.016 -0.000) 3.016 8.039 ( -0.000 -9.797 -0.000) 9.797 8.039 ( 0.000 9.797 0.000) 9.797 8.435 ( 0.000 -13.768 0.000) 13.768 8.435 ( 0.000 13.768 0.000) 13.768 8.764 ( 0.000 -1.917 0.000) 1.917 8.764 ( 0.000 1.917 0.000) 1.917 9.132 ( 0.000 -3.813 0.000) 3.813 9.132 ( 0.000 3.813 -0.000) 3.813 10.483 ( 0.000 -9.169 0.000) 9.169 10.483 ( 0.000 9.169 0.000) 9.169 10.858 ( 0.000 -13.382 0.000) 13.382 10.858 ( 0.000 13.382 0.000) 13.382 11.242 ( 0.000 -2.108 0.000) 2.108 11.242 ( 0.000 2.108 0.000) 2.108 11.550 ( 0.000 -2.515 -0.000) 2.515 11.550 ( 0.000 2.515 0.000) 2.515 11.770 ( 0.000 -5.336 0.000) 5.336 11.770 ( 0.000 5.336 -0.000) 5.336 11.969 ( 0.000 -4.881 0.000) 4.881 11.969 ( 0.000 4.881 0.000) 4.881 12.780 ( 0.000 -3.636 0.000) 3.636 12.780 ( 0.000 3.636 -0.000) 3.636 12.824 ( 0.000 -1.939 0.000) 1.939 12.824 ( 0.000 1.939 -0.000) 1.939 ======================= Grid point 121 (37/192) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.853 0.000 35.018) 35.028 0.678 ( 2.115 0.000 35.559) 35.622 1.118 ( 3.144 0.000 57.837) 57.923 2.371 ( -0.600 0.000 -4.597) 4.636 2.725 ( -1.234 0.000 -17.650) 17.693 3.427 ( 0.071 0.000 13.296) 13.296 4.156 ( -0.477 0.000 -4.181) 4.209 4.269 ( 4.406 0.000 -15.857) 16.458 4.812 ( -4.582 0.000 0.082) 4.583 5.038 ( 5.643 0.000 -1.177) 5.764 5.084 ( 1.705 0.000 -6.787) 6.997 5.212 ( -2.747 0.000 0.369) 2.772 5.503 ( -4.545 0.000 -6.825) 8.200 5.942 ( 13.385 0.000 11.329) 17.536 6.039 ( -0.001 0.000 -6.285) 6.285 6.217 ( -4.669 0.000 -1.392) 4.872 6.603 ( -14.368 0.000 0.724) 14.386 6.975 ( 12.359 0.000 -8.421) 14.955 6.982 ( 2.371 0.000 5.183) 5.700 7.115 ( 1.373 0.000 4.101) 4.325 7.378 ( -6.939 0.000 7.182) 9.987 7.693 ( 0.604 0.000 -1.091) 1.247 7.721 ( -1.356 0.000 -1.448) 1.984 7.782 ( -4.630 0.000 -1.311) 4.812 8.186 ( 2.934 0.000 -0.978) 3.093 8.410 ( -6.206 0.000 -8.961) 10.901 8.571 ( 3.058 0.000 -0.799) 3.160 8.575 ( -2.101 0.000 1.363) 2.504 8.894 ( 23.237 0.000 10.686) 25.576 9.154 ( -3.288 0.000 0.102) 3.289 9.306 ( -39.913 0.000 0.690) 39.919 9.452 ( 2.279 0.000 -0.282) 2.296 10.283 ( 0.902 0.000 -0.571) 1.067 10.382 ( 1.950 0.000 -3.341) 3.868 10.540 ( 0.446 0.000 2.997) 3.030 10.771 ( 4.537 0.000 -4.444) 6.351 10.977 ( -3.451 0.000 6.115) 7.021 11.351 ( 0.577 0.000 -2.142) 2.219 11.418 ( -0.657 0.000 0.843) 1.069 11.442 ( -0.682 0.000 0.138) 0.695 11.604 ( -0.658 0.000 1.167) 1.340 11.802 ( 0.512 0.000 -1.805) 1.876 12.375 ( 0.942 0.000 -0.097) 0.947 12.378 ( -0.765 0.000 -0.120) 0.774 12.460 ( -0.079 0.000 0.208) 0.222 12.497 ( 0.704 0.000 -0.345) 0.784 12.689 ( -1.494 0.000 0.180) 1.505 12.709 ( -0.113 0.000 -0.173) 0.207 ======================= Grid point 122 (38/192) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 17.017 0.000 27.085) 31.987 1.219 ( 16.158 0.000 31.050) 35.003 1.993 ( 31.724 0.000 38.189) 49.647 2.369 ( 6.210 0.000 -4.170) 7.480 2.595 ( 6.857 0.000 -19.201) 20.389 3.522 ( -2.804 0.000 12.141) 12.460 4.051 ( -5.701 0.000 -6.676) 8.779 4.111 ( -0.821 0.000 -19.606) 19.623 4.802 ( 3.762 0.000 -1.171) 3.940 5.021 ( -0.413 0.000 -8.475) 8.485 5.095 ( -7.182 0.000 -0.989) 7.250 5.121 ( 1.894 0.000 1.397) 2.353 5.387 ( -2.892 0.000 -2.434) 3.780 5.956 ( -0.230 0.000 -8.539) 8.542 6.128 ( -2.131 0.000 -3.378) 3.994 6.180 ( -3.568 0.000 13.885) 14.336 6.515 ( 9.790 0.000 -10.818) 14.590 7.061 ( -1.752 0.000 3.390) 3.816 7.079 ( 2.225 0.000 3.984) 4.563 7.271 ( 13.204 0.000 -2.378) 13.416 7.315 ( -4.232 0.000 5.089) 6.618 7.572 ( -11.090 0.000 3.147) 11.528 7.688 ( -0.593 0.000 -0.739) 0.948 7.764 ( -6.360 0.000 7.155) 9.573 8.077 ( -11.661 0.000 -8.616) 14.498 8.283 ( 5.512 0.000 1.544) 5.724 8.496 ( -6.639 0.000 -1.046) 6.720 8.584 ( 0.440 0.000 2.556) 2.594 8.982 ( -6.259 0.000 10.418) 12.153 9.062 ( -4.144 0.000 -1.070) 4.279 9.320 ( 13.701 0.000 -2.101) 13.861 9.503 ( 1.878 0.000 1.475) 2.388 10.295 ( 1.055 0.000 -0.227) 1.079 10.382 ( 1.313 0.000 -3.453) 3.694 10.525 ( -3.954 0.000 1.671) 4.293 10.786 ( 1.354 0.000 -4.427) 4.629 10.990 ( -1.686 0.000 7.406) 7.596 11.350 ( 1.624 0.000 -2.969) 3.384 11.409 ( -1.063 0.000 0.745) 1.298 11.415 ( -2.063 0.000 0.158) 2.069 11.613 ( 0.044 0.000 1.054) 1.055 11.788 ( 0.117 0.000 -1.673) 1.677 12.362 ( -0.467 0.000 -0.708) 0.848 12.400 ( 1.547 0.000 0.473) 1.618 12.450 ( -0.748 0.000 -0.348) 0.825 12.508 ( 0.695 0.000 0.070) 0.699 12.704 ( -0.074 0.000 -0.226) 0.237 12.712 ( 2.078 0.000 -1.150) 2.375 ======================= Grid point 123 (39/192) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 17.612 0.000 18.296) 25.395 1.791 ( 14.836 0.000 27.538) 31.280 2.377 ( 9.926 0.000 -11.150) 14.928 2.603 ( 13.071 0.000 -16.860) 21.333 2.953 ( 31.314 0.000 23.487) 39.143 3.563 ( -5.113 0.000 9.922) 11.162 3.807 ( -12.940 0.000 -8.696) 15.590 3.954 ( 5.878 0.000 -17.108) 18.090 4.899 ( 7.585 0.000 -1.190) 7.678 4.922 ( -2.907 0.000 -4.621) 5.459 4.987 ( -3.420 0.000 -0.683) 3.487 5.106 ( -4.020 0.000 0.275) 4.029 5.348 ( -0.108 0.000 0.127) 0.166 5.888 ( 0.741 0.000 -7.540) 7.576 6.077 ( 1.297 0.000 -4.822) 4.994 6.156 ( -6.852 0.000 7.761) 10.353 6.657 ( 10.979 0.000 -5.029) 12.076 7.005 ( -8.113 0.000 3.984) 9.038 7.104 ( -2.191 0.000 -0.203) 2.200 7.246 ( -4.287 0.000 4.030) 5.884 7.434 ( -8.223 0.000 4.405) 9.328 7.537 ( 11.856 0.000 -3.687) 12.416 7.645 ( -11.999 0.000 9.962) 15.595 7.656 ( -1.133 0.000 -0.141) 1.142 7.967 ( 3.290 0.000 -3.367) 4.708 8.301 ( -9.755 0.000 -6.630) 11.795 8.390 ( 3.219 0.000 5.148) 6.071 8.631 ( 2.963 0.000 0.632) 3.029 8.980 ( -3.192 0.000 2.649) 4.148 9.041 ( 2.394 0.000 -0.254) 2.408 9.481 ( 6.772 0.000 -0.806) 6.820 9.542 ( -0.127 0.000 3.584) 3.586 10.321 ( 1.847 0.000 0.202) 1.858 10.343 ( -2.452 0.000 -4.144) 4.815 10.441 ( -5.851 0.000 0.322) 5.860 10.736 ( -2.060 0.000 -3.860) 4.376 11.061 ( 1.178 0.000 7.357) 7.450 11.349 ( 1.617 0.000 -3.447) 3.807 11.390 ( -0.827 0.000 1.479) 1.695 11.396 ( -0.901 0.000 -0.020) 0.901 11.612 ( -1.453 0.000 0.959) 1.741 11.782 ( 0.596 0.000 -0.901) 1.080 12.351 ( 0.140 0.000 -0.790) 0.803 12.429 ( -1.071 0.000 -0.561) 1.209 12.435 ( 1.677 0.000 0.483) 1.745 12.523 ( 0.741 0.000 0.310) 0.804 12.704 ( 0.120 0.000 0.027) 0.123 12.726 ( 0.738 0.000 -1.147) 1.364 ======================= Grid point 124 (40/192) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 14.041 0.000 10.189) 17.349 2.265 ( 10.207 0.000 22.273) 24.501 2.447 ( 9.176 0.000 -9.041) 12.882 2.704 ( 13.730 0.000 -14.984) 20.323 3.351 ( -9.948 0.000 -13.231) 16.553 3.522 ( -8.610 0.000 9.142) 12.559 3.677 ( 16.510 0.000 8.969) 18.789 4.037 ( 16.418 0.000 -9.975) 19.211 4.837 ( -4.930 0.000 1.624) 5.191 4.953 ( -0.349 0.000 -0.341) 0.488 5.001 ( -2.541 0.000 2.097) 3.294 5.052 ( 5.919 0.000 -3.056) 6.661 5.386 ( 1.661 0.000 4.375) 4.679 5.805 ( -2.098 0.000 -6.766) 7.084 6.093 ( 5.594 0.000 -5.023) 7.518 6.157 ( -0.228 0.000 6.842) 6.846 6.704 ( -1.699 0.000 -7.961) 8.140 6.855 ( -11.670 0.000 2.281) 11.891 7.041 ( -1.810 0.000 1.072) 2.104 7.218 ( -0.995 0.000 -1.087) 1.473 7.377 ( -2.599 0.000 3.863) 4.656 7.535 ( -1.204 0.000 -6.002) 6.122 7.596 ( -4.239 0.000 8.744) 9.717 7.713 ( -0.018 0.000 6.470) 6.470 8.000 ( -13.169 0.000 -8.768) 15.820 8.043 ( 4.532 0.000 2.559) 5.204 8.608 ( 13.476 0.000 6.364) 14.903 8.704 ( 4.747 0.000 -0.763) 4.808 8.900 ( -5.517 0.000 -0.725) 5.565 9.085 ( 1.211 0.000 -0.019) 1.211 9.566 ( -1.469 0.000 3.416) 3.719 9.574 ( 4.141 0.000 -0.193) 4.146 10.189 ( -8.724 0.000 -4.938) 10.025 10.348 ( -4.541 0.000 -0.162) 4.544 10.363 ( 2.385 0.000 0.307) 2.404 10.652 ( -2.825 0.000 -3.467) 4.472 11.161 ( 2.059 0.000 6.723) 7.031 11.329 ( 0.024 0.000 -3.172) 3.172 11.369 ( -1.370 0.000 -1.722) 2.201 11.442 ( 4.058 0.000 2.672) 4.859 11.581 ( -2.865 0.000 1.358) 3.170 11.781 ( -0.278 0.000 -0.952) 0.992 12.352 ( 0.657 0.000 -0.519) 0.837 12.404 ( -1.076 0.000 -0.333) 1.126 12.468 ( 1.617 0.000 -0.002) 1.617 12.539 ( 0.572 0.000 0.178) 0.599 12.708 ( 0.110 0.000 0.447) 0.461 12.721 ( -0.039 0.000 -0.749) 0.750 ======================= Grid point 125 (41/192) ======================= q-point: ( 0.40 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 7.247 0.000 6.148) 9.503 2.507 ( 8.897 0.000 -5.695) 10.563 2.591 ( -0.505 0.000 15.009) 15.017 2.788 ( 12.621 0.000 -14.326) 19.093 3.011 ( -8.406 0.000 -7.207) 11.072 3.448 ( -9.950 0.000 9.359) 13.660 4.014 ( 14.308 0.000 -2.249) 14.483 4.251 ( 13.595 0.000 -8.365) 15.962 4.766 ( -7.004 0.000 5.568) 8.948 4.949 ( 0.231 0.000 -0.741) 0.776 4.950 ( -3.905 0.000 3.039) 4.948 5.168 ( 7.436 0.000 -1.994) 7.699 5.473 ( 0.369 0.000 8.569) 8.577 5.719 ( -0.329 0.000 -4.015) 4.028 6.182 ( 9.340 0.000 -3.295) 9.905 6.275 ( 6.205 0.000 5.559) 8.331 6.479 ( -10.498 0.000 -10.067) 14.544 6.645 ( -12.789 0.000 1.786) 12.913 7.062 ( 0.717 0.000 1.653) 1.802 7.165 ( 1.433 0.000 -11.893) 11.979 7.371 ( -1.313 0.000 -0.147) 1.322 7.465 ( -0.299 0.000 -5.312) 5.321 7.620 ( -3.057 0.000 7.032) 7.668 7.702 ( -10.290 0.000 0.505) 10.303 7.798 ( -0.008 0.000 7.038) 7.038 8.146 ( 2.968 0.000 2.144) 3.661 8.714 ( -1.223 0.000 -2.098) 2.428 8.880 ( 2.214 0.000 3.292) 3.967 8.912 ( 11.597 0.000 4.405) 12.406 9.078 ( -1.498 0.000 0.079) 1.500 9.539 ( -3.923 0.000 1.563) 4.223 9.618 ( 1.529 0.000 -1.182) 1.932 10.010 ( -5.569 0.000 -1.201) 5.697 10.274 ( -3.168 0.000 0.004) 3.168 10.402 ( 1.519 0.000 -0.733) 1.687 10.581 ( -1.057 0.000 -3.256) 3.424 11.245 ( -0.183 0.000 3.733) 3.738 11.303 ( 0.297 0.000 -2.122) 2.143 11.324 ( -0.280 0.000 -0.841) 0.887 11.544 ( -2.668 0.000 1.648) 3.136 11.559 ( 5.354 0.000 1.865) 5.669 11.740 ( -2.627 0.000 -1.857) 3.217 12.363 ( 0.799 0.000 -0.079) 0.803 12.388 ( -0.646 0.000 0.231) 0.686 12.490 ( 1.147 0.000 -0.829) 1.415 12.544 ( 0.055 0.000 -0.437) 0.440 12.715 ( -0.091 0.000 0.805) 0.810 12.715 ( -0.015 0.000 -0.121) 0.122 ======================= Grid point 126 (42/192) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -7.180 0.000 0.195) 7.182 2.467 ( -15.283 0.000 -1.777) 15.386 2.608 ( 6.322 0.000 -1.836) 6.583 2.952 ( 16.719 0.000 -8.825) 18.905 3.084 ( 9.601 0.000 10.880) 14.510 3.338 ( -10.604 0.000 8.290) 13.460 4.132 ( 1.932 0.000 -6.493) 6.774 4.279 ( -0.120 0.000 -11.224) 11.225 4.699 ( -6.072 0.000 7.172) 9.397 4.918 ( -1.806 0.000 0.875) 2.007 4.948 ( 0.995 0.000 -1.450) 1.758 5.261 ( 3.324 0.000 -0.190) 3.330 5.554 ( -2.261 0.000 11.492) 11.712 5.743 ( 4.423 0.000 1.069) 4.550 6.190 ( -9.805 0.000 -9.919) 13.947 6.382 ( 12.083 0.000 0.894) 12.116 6.464 ( -8.399 0.000 3.920) 9.269 6.475 ( 10.773 0.000 3.265) 11.257 7.040 ( 2.802 0.000 -19.548) 19.748 7.069 ( -1.190 0.000 -0.241) 1.214 7.298 ( -3.974 0.000 -5.702) 6.950 7.422 ( 1.450 0.000 -4.713) 4.931 7.579 ( -6.297 0.000 1.885) 6.573 7.599 ( -1.828 0.000 1.854) 2.603 7.933 ( 3.230 0.000 12.608) 13.015 8.161 ( -1.679 0.000 0.432) 1.734 8.758 ( 4.651 0.000 4.823) 6.701 8.911 ( -2.599 0.000 1.623) 3.064 8.992 ( -5.658 0.000 -1.496) 5.852 9.066 ( -0.048 0.000 0.352) 0.355 9.513 ( 0.136 0.000 2.453) 2.457 9.640 ( 1.550 0.000 0.196) 1.563 9.999 ( 2.952 0.000 3.925) 4.911 10.251 ( 0.540 0.000 0.707) 0.889 10.388 ( -0.865 0.000 -3.105) 3.223 10.553 ( 1.390 0.000 -3.797) 4.043 11.198 ( -3.690 0.000 -1.284) 3.907 11.304 ( 1.470 0.000 -1.164) 1.876 11.384 ( 2.862 0.000 4.183) 5.068 11.519 ( -1.693 0.000 1.263) 2.112 11.587 ( -3.868 0.000 -2.353) 4.528 11.714 ( 2.728 0.000 -0.179) 2.734 12.378 ( 0.466 0.000 0.331) 0.572 12.385 ( 0.018 0.000 0.954) 0.955 12.489 ( 0.052 0.000 -1.615) 1.616 12.533 ( -0.214 0.000 -1.229) 1.248 12.719 ( -0.346 0.000 0.825) 0.894 12.722 ( 0.489 0.000 0.588) 0.765 ======================= Grid point 127 (43/192) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -20.327 0.000 -4.339) 20.785 2.217 ( -17.213 0.000 -3.739) 17.615 2.681 ( 1.363 0.000 1.390) 1.946 3.031 ( -0.297 0.000 -8.558) 8.564 3.374 ( 4.589 0.000 12.311) 13.138 3.429 ( 14.959 0.000 10.542) 18.300 3.887 ( -21.727 0.000 -7.111) 22.861 4.089 ( -5.621 0.000 -12.579) 13.777 4.738 ( 2.690 0.000 7.015) 7.513 4.901 ( 0.727 0.000 -2.346) 2.456 4.968 ( 2.709 0.000 -0.681) 2.794 5.274 ( -2.176 0.000 1.167) 2.469 5.614 ( -4.704 0.000 13.865) 14.641 5.868 ( 5.821 0.000 3.583) 6.835 5.958 ( -5.271 0.000 -8.957) 10.393 6.340 ( -6.064 0.000 2.834) 6.694 6.631 ( 8.461 0.000 1.192) 8.544 6.701 ( 10.657 0.000 -0.432) 10.666 6.947 ( 6.264 0.000 -14.372) 15.678 6.989 ( -1.480 0.000 -9.932) 10.042 7.171 ( -3.180 0.000 -1.797) 3.653 7.457 ( 7.438 0.000 -3.935) 8.415 7.471 ( -5.488 0.000 0.216) 5.493 7.639 ( 2.846 0.000 3.388) 4.425 8.136 ( 6.135 0.000 10.173) 11.880 8.140 ( -2.332 0.000 3.232) 3.986 8.760 ( -15.340 0.000 -2.368) 15.522 8.851 ( -5.306 0.000 2.762) 5.982 8.905 ( 4.323 0.000 5.210) 6.770 9.067 ( 0.689 0.000 -0.801) 1.057 9.533 ( -1.582 0.000 0.878) 1.809 9.640 ( -1.612 0.000 0.310) 1.642 10.167 ( 8.406 0.000 5.351) 9.964 10.303 ( 3.602 0.000 1.560) 3.925 10.329 ( -1.190 0.000 -4.227) 4.392 10.557 ( 4.411 0.000 -5.509) 7.058 11.118 ( -4.351 0.000 -0.053) 4.351 11.326 ( 1.808 0.000 -1.271) 2.210 11.464 ( -0.747 0.000 4.808) 4.866 11.472 ( -4.647 0.000 -1.722) 4.956 11.519 ( 2.247 0.000 0.344) 2.273 11.757 ( 1.971 0.000 -1.279) 2.350 12.380 ( -0.430 0.000 0.703) 0.824 12.411 ( 1.026 0.000 1.545) 1.855 12.463 ( -0.910 0.000 -1.932) 2.136 12.515 ( -0.070 0.000 -1.781) 1.782 12.718 ( -0.504 0.000 0.535) 0.735 12.743 ( 0.895 0.000 1.100) 1.418 ======================= Grid point 128 (44/192) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -25.961 0.000 -4.574) 26.360 1.782 ( -25.499 0.000 -5.267) 26.037 2.672 ( -4.035 0.000 1.649) 4.359 2.959 ( 0.724 0.000 -1.728) 1.873 3.194 ( -41.433 0.000 -9.127) 42.426 3.493 ( -7.619 0.000 6.546) 10.044 3.814 ( 13.039 0.000 7.409) 14.997 3.959 ( 7.690 0.000 -10.204) 12.777 4.891 ( 5.622 0.000 6.686) 8.735 4.897 ( 2.185 0.000 -3.994) 4.552 5.040 ( 4.566 0.000 1.935) 4.959 5.219 ( -5.299 0.000 2.014) 5.669 5.648 ( -6.511 0.000 14.119) 15.548 5.826 ( -0.349 0.000 -9.368) 9.374 5.989 ( 3.713 0.000 2.488) 4.469 6.281 ( -3.813 0.000 3.572) 5.224 6.729 ( 3.462 0.000 -12.783) 13.244 6.738 ( 9.035 0.000 -7.310) 11.622 6.955 ( 3.204 0.000 -4.558) 5.571 6.992 ( 7.368 0.000 -4.859) 8.826 7.166 ( 0.699 0.000 4.356) 4.411 7.429 ( 0.003 0.000 4.806) 4.806 7.561 ( 5.759 0.000 -3.293) 6.634 7.758 ( 3.677 0.000 5.670) 6.758 8.131 ( -2.186 0.000 2.718) 3.487 8.275 ( 0.470 0.000 -1.484) 1.557 8.519 ( -7.746 0.000 5.804) 9.679 8.780 ( -6.739 0.000 4.105) 7.891 8.968 ( -1.569 0.000 1.670) 2.291 9.057 ( -0.919 0.000 -1.726) 1.956 9.485 ( -2.160 0.000 -0.446) 2.206 9.625 ( -1.101 0.000 2.974) 3.172 10.274 ( 0.008 0.000 -4.429) 4.429 10.328 ( 5.245 0.000 1.071) 5.354 10.396 ( 3.762 0.000 2.407) 4.466 10.608 ( 7.086 0.000 -6.118) 9.361 11.044 ( -4.680 0.000 1.942) 5.067 11.335 ( 1.370 0.000 -1.233) 1.843 11.421 ( -0.834 0.000 0.251) 0.871 11.453 ( -2.812 0.000 2.325) 3.648 11.589 ( 2.540 0.000 1.918) 3.182 11.767 ( 1.140 0.000 -1.649) 2.005 12.380 ( -0.404 0.000 0.917) 1.002 12.425 ( -1.075 0.000 -1.895) 2.179 12.444 ( 0.722 0.000 1.599) 1.755 12.499 ( 0.186 0.000 -1.783) 1.793 12.713 ( -0.405 0.000 0.267) 0.485 12.772 ( 0.970 0.000 1.358) 1.669 ======================= Grid point 129 (45/192) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -30.073 0.000 0.389) 30.075 1.224 ( -31.351 0.000 -1.500) 31.387 2.226 ( -55.432 0.000 -4.035) 55.579 2.584 ( -7.207 0.000 0.479) 7.223 3.049 ( 6.682 0.000 5.008) 8.351 3.270 ( -14.135 0.000 -4.154) 14.733 4.054 ( 8.113 0.000 2.108) 8.382 4.105 ( 12.936 0.000 -5.899) 14.217 4.901 ( 2.021 0.000 -3.047) 3.656 5.033 ( 4.660 0.000 2.342) 5.215 5.123 ( -6.396 0.000 -0.052) 6.397 5.154 ( 3.840 0.000 3.946) 5.506 5.654 ( -4.934 0.000 6.577) 8.222 5.737 ( 0.126 0.000 -6.652) 6.654 6.051 ( 2.125 0.000 -0.004) 2.125 6.271 ( -1.835 0.000 4.480) 4.841 6.732 ( 9.415 0.000 -11.468) 14.837 6.838 ( 10.774 0.000 -10.997) 15.395 6.971 ( 1.691 0.000 0.404) 1.739 7.036 ( -0.094 0.000 -0.123) 0.155 7.283 ( 5.841 0.000 12.814) 14.083 7.575 ( -2.088 0.000 -1.925) 2.840 7.587 ( 7.950 0.000 8.882) 11.920 7.759 ( -6.747 0.000 2.156) 7.083 8.093 ( -2.899 0.000 -2.723) 3.978 8.245 ( 1.881 0.000 -2.045) 2.778 8.526 ( -1.655 0.000 3.906) 4.242 8.673 ( -8.034 0.000 1.481) 8.169 8.895 ( -6.853 0.000 0.565) 6.876 9.042 ( 1.923 0.000 0.445) 1.974 9.472 ( 0.091 0.000 0.021) 0.093 9.668 ( 0.226 0.000 8.141) 8.144 10.253 ( 1.775 0.000 -3.121) 3.590 10.389 ( 2.328 0.000 -1.985) 3.059 10.464 ( 1.885 0.000 1.537) 2.432 10.675 ( 6.712 0.000 -6.432) 9.297 10.994 ( -3.967 0.000 4.141) 5.735 11.374 ( 2.802 0.000 0.557) 2.857 11.409 ( -0.480 0.000 -0.802) 0.935 11.427 ( -1.801 0.000 1.374) 2.265 11.627 ( -0.316 0.000 1.662) 1.691 11.779 ( 1.761 0.000 -1.073) 2.062 12.383 ( -0.273 0.000 0.853) 0.896 12.391 ( -0.744 0.000 -1.572) 1.739 12.463 ( -0.085 0.000 1.053) 1.056 12.489 ( 0.520 0.000 -1.386) 1.480 12.710 ( -0.125 0.000 0.149) 0.194 12.803 ( 1.008 0.000 1.055) 1.459 ======================= Grid point 130 (46/192) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -26.448 0.000 20.023) 33.172 0.698 ( -30.079 0.000 15.601) 33.884 1.229 ( -56.198 0.000 20.817) 59.930 2.460 ( -5.457 0.000 -1.433) 5.642 2.968 ( -8.446 0.000 -13.293) 15.749 3.256 ( 4.617 0.000 12.576) 13.397 4.158 ( 3.414 0.000 -1.577) 3.761 4.248 ( 10.656 0.000 -9.762) 14.451 4.903 ( -2.865 0.000 1.962) 3.472 5.007 ( -1.318 0.000 -5.129) 5.295 5.095 ( 2.718 0.000 -3.343) 4.309 5.209 ( -0.241 0.000 0.638) 0.683 5.591 ( -0.741 0.000 -3.825) 3.896 5.741 ( -0.674 0.000 6.087) 6.124 6.069 ( 1.349 0.000 -2.850) 3.153 6.279 ( -2.448 0.000 3.045) 3.907 6.792 ( 2.849 0.000 -3.550) 4.552 6.886 ( 9.139 0.000 -13.346) 16.175 6.989 ( -4.794 0.000 -1.190) 4.939 7.044 ( 2.787 0.000 4.012) 4.885 7.458 ( -8.905 0.000 3.922) 9.731 7.644 ( 12.610 0.000 7.372) 14.607 7.699 ( -0.341 0.000 -1.286) 1.330 7.882 ( 9.905 0.000 24.072) 26.030 7.966 ( 2.687 0.000 -4.538) 5.274 8.213 ( -2.644 0.000 -2.511) 3.646 8.547 ( -5.081 0.000 -1.063) 5.191 8.555 ( 1.362 0.000 2.550) 2.891 8.767 ( -7.862 0.000 2.960) 8.401 9.127 ( 4.098 0.000 2.175) 4.640 9.456 ( -1.191 0.000 -1.057) 1.593 9.788 ( 2.435 0.000 3.475) 4.243 10.268 ( 1.802 0.000 -1.293) 2.218 10.390 ( 1.078 0.000 -3.359) 3.528 10.492 ( -0.364 0.000 1.657) 1.697 10.726 ( 5.624 0.000 -5.623) 7.953 10.979 ( -3.062 0.000 5.409) 6.216 11.385 ( -0.613 0.000 -2.322) 2.401 11.418 ( -0.549 0.000 0.969) 1.114 11.427 ( 1.841 0.000 0.582) 1.931 11.618 ( -1.842 0.000 1.229) 2.215 11.800 ( 1.436 0.000 -1.214) 1.880 12.371 ( -0.009 0.000 -0.923) 0.923 12.384 ( -0.314 0.000 0.533) 0.618 12.462 ( -0.706 0.000 0.504) 0.868 12.490 ( 0.705 0.000 -0.853) 1.106 12.710 ( -0.011 0.000 0.022) 0.024 12.805 ( -1.287 0.000 -4.255) 4.445 ======================= Grid point 131 (47/192) ======================= q-point: ( 0.00 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -1.564 27.944 22.260) 35.760 1.016 ( 4.952 26.506 24.145) 36.195 1.728 ( 0.714 48.604 34.611) 59.672 2.584 ( -0.866 19.368 -5.175) 20.066 2.805 ( -0.949 7.565 -16.814) 18.462 3.461 ( -0.148 3.263 12.517) 12.936 4.060 ( 1.343 -7.768 -10.616) 13.222 4.201 ( 0.191 -5.235 -5.459) 7.566 4.853 ( -1.975 3.105 0.462) 3.709 5.105 ( 3.867 5.932 -1.678) 7.277 5.149 ( 2.049 3.717 -3.107) 5.260 5.318 ( -2.730 10.095 -3.392) 10.994 5.489 ( -4.234 -0.562 -3.714) 5.660 5.859 ( 6.104 -4.098 10.452) 12.779 6.133 ( 4.916 4.280 -1.255) 6.638 6.267 ( -1.000 5.127 -8.667) 10.120 6.726 ( -12.284 10.190 2.183) 16.109 6.909 ( 2.091 -5.059 4.899) 7.346 7.002 ( 5.646 0.942 -5.704) 8.081 7.151 ( -0.213 1.566 3.225) 3.591 7.334 ( -4.271 -1.137 7.381) 8.603 7.574 ( -6.694 -11.554 12.012) 17.961 7.657 ( 1.201 -5.997 -0.534) 6.140 7.681 ( 1.186 -6.417 2.141) 6.868 8.150 ( 2.837 -13.334 11.505) 17.838 8.182 ( 10.019 -9.292 1.146) 13.713 8.296 ( -6.585 -8.421 3.386) 11.213 8.482 ( -1.264 -9.326 2.223) 9.671 8.648 ( -11.554 0.441 -2.187) 11.768 8.933 ( 4.458 -1.061 7.553) 8.835 9.106 ( 0.107 -7.229 2.474) 7.641 9.489 ( 0.385 3.393 -0.576) 3.463 10.400 ( -0.622 -1.203 -1.655) 2.138 10.566 ( 0.677 8.015 1.799) 8.243 10.611 ( 1.075 12.821 -2.483) 13.103 10.835 ( 0.194 -3.033 -2.564) 3.977 11.284 ( 2.549 0.427 -10.715) 11.023 11.304 ( 0.201 -4.514 -1.936) 4.916 11.476 ( -2.601 4.310 -0.216) 5.038 11.569 ( -0.337 6.057 -6.924) 9.206 11.693 ( 0.324 6.023 0.911) 6.100 11.988 ( -1.055 15.933 -9.472) 18.565 12.365 ( 0.794 -3.092 0.071) 3.193 12.384 ( -0.938 0.316 -0.348) 1.049 12.407 ( 1.194 -3.298 -0.018) 3.507 12.412 ( -2.985 -5.191 -0.000) 5.988 12.710 ( -0.807 1.701 0.421) 1.929 12.752 ( 0.952 2.380 -0.188) 2.570 ======================= Grid point 132 (48/192) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 12.549 18.665 24.542) 33.289 1.508 ( 18.715 20.360 22.367) 35.567 2.297 ( 21.337 29.538 30.038) 47.223 2.536 ( 3.513 15.438 -7.722) 17.615 2.699 ( 7.557 9.916 -15.931) 20.230 3.541 ( -3.440 1.749 11.411) 12.046 3.944 ( -0.543 -6.833 -12.846) 14.560 4.100 ( -3.867 -1.775 -7.932) 9.001 4.851 ( 1.693 3.156 -0.472) 3.613 5.071 ( -3.444 0.625 0.155) 3.504 5.180 ( -0.905 12.286 -7.421) 14.382 5.196 ( -4.153 5.531 -2.762) 7.448 5.433 ( 1.749 3.930 0.751) 4.367 6.015 ( 1.720 -2.817 5.329) 6.268 6.086 ( -0.110 10.593 -11.098) 15.342 6.332 ( 8.806 -0.568 -0.642) 8.848 6.520 ( -8.173 9.176 -2.437) 12.527 6.992 ( 1.000 -5.567 6.102) 8.320 7.071 ( -0.054 -2.542 1.667) 3.041 7.199 ( 2.455 -8.695 2.655) 9.417 7.342 ( 2.062 4.796 0.351) 5.233 7.510 ( -8.386 -3.406 5.641) 10.665 7.639 ( -2.363 -4.804 -0.173) 5.356 7.743 ( 1.822 -4.778 4.117) 6.565 8.011 ( -11.564 -1.452 -1.209) 11.717 8.260 ( 3.421 -5.642 0.422) 6.612 8.394 ( -5.430 -7.387 0.180) 9.170 8.539 ( 4.553 -6.629 3.600) 8.810 8.662 ( 7.833 -13.913 9.105) 18.380 8.912 ( -2.751 -11.883 -1.912) 12.346 9.292 ( 9.715 4.082 5.734) 11.997 9.484 ( -0.679 -1.747 -1.352) 2.311 10.360 ( -2.079 -0.893 -1.365) 2.643 10.559 ( -2.961 6.536 0.547) 7.196 10.589 ( -0.054 12.365 -3.415) 12.828 10.803 ( -0.607 -0.034 -2.976) 3.037 11.179 ( -1.756 6.126 -6.122) 8.837 11.305 ( 1.579 -4.108 -2.180) 4.911 11.394 ( -5.007 1.511 0.546) 5.259 11.497 ( -2.659 7.423 0.424) 7.896 11.722 ( 1.183 7.239 1.618) 7.511 11.894 ( -1.634 10.976 -3.507) 11.638 12.363 ( -0.548 -0.801 -0.705) 1.200 12.384 ( 0.066 -5.924 0.539) 5.949 12.394 ( 0.904 -1.261 0.456) 1.617 12.428 ( 1.014 -4.190 -0.293) 4.321 12.712 ( 0.172 1.808 0.246) 1.832 12.766 ( 0.953 2.255 -0.885) 2.604 ======================= Grid point 133 (49/192) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 14.365 12.200 21.434) 28.541 2.038 ( 16.989 19.387 18.520) 31.740 2.532 ( 9.104 13.663 -11.705) 20.163 2.655 ( 11.485 6.598 -14.457) 19.607 3.062 ( 23.615 11.575 17.681) 31.690 3.572 ( -4.289 0.924 10.073) 10.987 3.799 ( -7.606 0.218 -7.580) 10.740 3.947 ( 2.092 -0.513 -12.112) 12.302 4.880 ( 0.974 -3.405 -1.510) 3.850 5.012 ( -3.531 2.638 1.713) 4.729 5.054 ( -3.831 4.527 -4.138) 7.232 5.096 ( -2.236 10.244 -3.894) 11.185 5.523 ( 4.355 12.234 2.244) 13.178 5.994 ( 0.723 8.846 -7.992) 11.944 6.065 ( 2.447 1.465 -0.960) 3.010 6.344 ( -7.028 15.889 2.631) 17.572 6.514 ( 8.335 -11.391 -3.578) 14.561 7.002 ( -6.860 -0.643 3.615) 7.781 7.079 ( -0.036 -2.679 1.579) 3.109 7.195 ( -2.527 -6.893 1.939) 7.593 7.392 ( -6.327 -5.034 5.480) 9.767 7.459 ( 5.053 -6.248 -0.844) 8.080 7.585 ( -3.002 0.324 -1.210) 3.253 7.806 ( -6.293 8.624 10.795) 15.183 7.894 ( 4.187 -5.736 -3.196) 7.788 8.216 ( -7.318 -6.752 -4.539) 10.942 8.365 ( 2.422 -3.354 3.365) 5.333 8.597 ( 2.616 -2.745 -1.790) 4.193 8.790 ( 0.269 -13.665 3.151) 14.026 8.977 ( 6.954 -5.372 1.050) 8.850 9.382 ( -0.780 -7.380 -2.156) 7.728 9.530 ( 4.388 0.302 4.190) 6.075 10.308 ( -2.381 -1.239 -0.640) 2.759 10.484 ( -5.127 5.764 -0.338) 7.722 10.543 ( -0.934 10.325 -3.924) 11.085 10.746 ( -2.811 2.546 -3.114) 4.907 11.152 ( 0.669 4.008 1.793) 4.442 11.303 ( -1.874 -2.900 -0.570) 3.499 11.338 ( 0.772 -1.525 -0.885) 1.925 11.474 ( -1.122 6.802 1.308) 7.017 11.755 ( 0.432 8.827 1.788) 9.016 11.847 ( -0.889 7.002 -1.934) 7.318 12.346 ( -0.506 -2.048 -0.689) 2.220 12.393 ( 0.355 -1.856 0.091) 1.891 12.412 ( 0.625 -5.085 0.134) 5.125 12.449 ( 1.350 -2.117 0.410) 2.544 12.718 ( 0.208 1.987 0.133) 2.002 12.769 ( 0.311 1.955 -0.854) 2.156 ======================= Grid point 134 (50/192) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 11.539 9.912 13.179) 20.126 2.455 ( 10.285 16.430 15.146) 24.599 2.598 ( 11.416 13.820 -11.428) 21.258 2.771 ( 13.557 6.153 -10.073) 17.976 3.401 ( -5.619 5.773 -8.076) 11.407 3.465 ( -6.877 -1.915 3.953) 8.160 3.730 ( 7.830 2.428 8.705) 11.958 4.002 ( 11.911 -1.904 -6.745) 13.820 4.811 ( -6.943 -7.852 2.088) 10.687 4.958 ( -4.081 1.189 -0.069) 4.252 5.034 ( 3.962 6.133 -2.649) 7.767 5.082 ( 3.306 7.751 -0.804) 8.465 5.602 ( 1.243 15.606 2.779) 15.900 5.945 ( 1.263 9.542 -5.520) 11.096 6.121 ( 5.809 3.904 -3.214) 7.702 6.286 ( -2.170 12.993 4.288) 13.853 6.562 ( 0.514 -9.767 -5.680) 11.310 6.860 ( -10.409 0.059 0.219) 10.412 7.032 ( -3.235 -0.419 0.377) 3.284 7.244 ( 5.159 -3.905 0.180) 6.473 7.363 ( -2.218 -0.767 4.053) 4.683 7.504 ( -2.464 1.996 -3.976) 5.086 7.530 ( -0.192 -14.961 6.754) 16.415 7.756 ( -6.550 11.476 6.843) 14.880 7.951 ( -10.603 -2.115 -5.204) 12.000 8.028 ( 4.142 -4.686 1.920) 6.543 8.518 ( 7.971 -7.794 0.476) 11.158 8.644 ( 4.476 -4.186 -0.570) 6.154 8.800 ( 0.561 -7.779 2.780) 8.280 9.036 ( -0.419 -3.869 -1.195) 4.071 9.393 ( 3.004 -10.564 0.863) 11.017 9.596 ( -0.939 -1.911 0.871) 2.300 10.262 ( -2.269 -0.764 -0.227) 2.404 10.374 ( -5.590 9.706 -1.039) 11.249 10.494 ( -0.723 7.813 -2.306) 8.178 10.647 ( -4.100 1.228 -3.147) 5.313 11.212 ( 2.449 1.081 3.673) 4.545 11.253 ( -2.831 -4.257 0.022) 5.113 11.371 ( 1.967 1.954 -0.954) 2.932 11.483 ( 1.893 5.787 0.706) 6.129 11.766 ( -1.109 11.476 1.400) 11.614 11.819 ( -0.766 3.896 -1.129) 4.128 12.329 ( -0.851 -4.005 -0.499) 4.125 12.395 ( 0.159 1.392 -0.069) 1.403 12.427 ( 0.739 -7.456 -0.012) 7.493 12.477 ( 1.222 -0.764 0.328) 1.478 12.723 ( 0.200 2.062 0.275) 2.090 12.764 ( 0.003 2.018 -0.572) 2.097 ======================= Grid point 135 (51/192) ======================= q-point: ( 0.40 0.10 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 7.084 10.051 4.912) 13.241 2.640 ( 4.305 8.338 0.244) 9.387 2.794 ( 8.166 19.746 5.893) 22.166 2.882 ( 9.160 8.625 -9.036) 15.490 3.078 ( -8.804 6.483 -7.415) 13.211 3.450 ( -7.281 1.376 8.070) 10.956 3.946 ( 9.048 -6.012 -0.818) 10.894 4.165 ( 10.320 -5.977 -5.396) 13.089 4.723 ( -6.935 -7.425 6.315) 11.963 4.901 ( -3.575 0.473 2.471) 4.372 5.049 ( 2.238 8.399 -3.585) 9.402 5.187 ( 6.539 2.483 -0.487) 7.011 5.611 ( -1.690 11.986 0.836) 12.133 5.941 ( 1.760 14.444 -0.699) 14.567 6.210 ( 8.200 4.433 -3.061) 9.811 6.357 ( 3.308 6.531 5.073) 8.907 6.439 ( -4.146 -1.256 -8.481) 9.523 6.655 ( -10.872 0.606 -0.788) 10.917 7.010 ( -0.834 -1.370 1.081) 1.934 7.297 ( 2.887 4.044 -8.589) 9.923 7.343 ( -0.731 -1.229 -4.333) 4.563 7.457 ( 0.515 1.020 -1.326) 1.750 7.588 ( -2.299 -11.123 8.378) 14.113 7.687 ( -9.526 1.786 0.631) 9.713 7.744 ( -3.728 3.070 6.565) 8.150 8.157 ( 4.072 0.503 3.104) 5.145 8.522 ( -1.390 -16.126 -2.837) 16.433 8.736 ( 3.992 -7.329 1.579) 8.494 8.939 ( 2.788 -7.264 2.653) 8.221 9.039 ( 6.081 0.581 3.266) 6.927 9.418 ( -4.408 -7.363 -0.128) 8.583 9.534 ( -1.646 -7.311 -1.420) 7.628 10.229 ( -1.068 1.547 0.540) 1.956 10.288 ( -3.167 14.991 0.035) 15.322 10.475 ( 0.099 5.545 -1.328) 5.703 10.561 ( -1.822 -1.072 -2.427) 3.218 11.206 ( -1.984 -5.018 -0.147) 5.398 11.284 ( 1.537 -3.368 0.525) 3.739 11.365 ( -0.799 9.706 1.362) 9.834 11.571 ( 5.853 3.649 0.824) 6.947 11.740 ( -2.672 6.070 -0.230) 6.636 11.788 ( -1.516 9.263 -0.791) 9.419 12.309 ( -0.727 -5.891 -0.048) 5.935 12.404 ( 0.660 2.522 0.109) 2.609 12.433 ( 0.141 -8.258 -0.380) 8.268 12.494 ( 0.584 -0.138 -0.338) 0.689 12.730 ( 0.083 2.095 0.529) 2.163 12.760 ( 0.059 2.216 -0.172) 2.223 ======================= Grid point 136 (52/192) ======================= q-point: (-0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -11.973 6.073 -1.433) 13.501 2.632 ( -2.473 16.588 0.489) 16.779 2.841 ( 0.606 17.317 -3.280) 17.636 3.019 ( 15.149 7.894 -7.132) 18.512 3.134 ( 7.151 5.126 10.119) 13.409 3.366 ( -8.491 3.147 7.310) 11.637 4.000 ( -0.859 -9.972 -4.737) 11.073 4.205 ( 0.395 -6.716 -8.073) 10.509 4.691 ( -4.071 -3.755 8.359) 10.027 4.886 ( -0.840 -0.035 3.123) 3.234 5.061 ( 2.655 9.172 -2.792) 9.948 5.249 ( 0.411 0.189 -1.321) 1.397 5.599 ( 0.266 8.095 1.092) 8.173 5.984 ( 1.419 11.984 1.108) 12.118 6.236 ( -3.724 6.860 -7.033) 10.507 6.400 ( 7.418 -2.395 3.557) 8.568 6.480 ( -2.887 8.045 3.133) 9.104 6.517 ( 5.530 1.317 -1.877) 5.987 6.993 ( -0.393 0.634 -3.150) 3.238 7.207 ( 0.904 6.415 -11.812) 13.472 7.265 ( -0.810 -2.396 -8.497) 8.865 7.428 ( -2.328 0.962 -2.941) 3.872 7.536 ( -6.843 -2.242 2.431) 7.600 7.630 ( -1.691 0.911 3.823) 4.279 7.831 ( 3.087 -5.917 10.675) 12.590 8.168 ( -2.752 -0.216 -0.692) 2.846 8.585 ( 5.916 -14.969 6.027) 17.187 8.794 ( -0.074 -6.643 2.441) 7.078 8.931 ( -2.013 -8.420 -0.264) 8.662 9.104 ( -7.669 3.261 -1.898) 8.547 9.382 ( 4.995 -8.555 4.036) 10.697 9.539 ( 0.723 -8.285 0.297) 8.322 10.228 ( -0.163 -1.983 1.085) 2.266 10.277 ( 1.182 20.471 1.940) 20.597 10.453 ( 0.089 4.217 -2.661) 4.987 10.543 ( 1.514 -0.238 -1.808) 2.370 11.187 ( -0.233 -5.915 0.037) 5.920 11.245 ( -2.164 1.661 -2.808) 3.915 11.421 ( 1.800 5.264 4.783) 7.337 11.640 ( -3.746 7.115 -0.912) 8.092 11.681 ( 1.883 2.442 -0.999) 3.241 11.768 ( 0.585 9.969 -0.870) 10.024 12.309 ( 0.407 -6.713 0.739) 6.766 12.409 ( -0.327 1.480 -0.199) 1.529 12.431 ( 0.345 -7.259 -0.424) 7.280 12.491 ( -0.201 0.241 -1.027) 1.073 12.735 ( -0.155 2.122 0.677) 2.233 12.763 ( 0.282 2.144 0.172) 2.169 ======================= Grid point 137 (53/192) ======================= q-point: (-0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -18.685 8.578 -4.080) 20.961 2.458 ( -14.954 20.973 -3.464) 25.990 2.847 ( 0.349 14.240 0.913) 14.274 3.089 ( -2.361 6.904 -6.270) 9.620 3.359 ( 7.511 -0.047 10.525) 12.930 3.488 ( 11.521 4.494 9.936) 15.864 3.812 ( -15.185 -5.514 -5.606) 17.100 4.031 ( -7.353 -4.816 -10.295) 13.537 4.753 ( 2.628 -1.362 6.635) 7.265 4.924 ( 2.178 2.405 1.593) 3.615 5.096 ( 3.500 10.585 -1.281) 11.222 5.195 ( -4.942 -3.343 1.116) 6.070 5.637 ( 0.898 6.250 2.927) 6.959 5.932 ( -2.424 2.064 -8.265) 8.857 6.213 ( 2.252 16.766 4.068) 17.399 6.358 ( -6.179 3.912 2.964) 7.891 6.602 ( 3.870 -5.889 -3.478) 7.859 6.653 ( 8.437 2.130 2.041) 8.938 6.964 ( 3.916 0.842 -7.038) 8.098 7.098 ( 1.167 8.843 -15.503) 17.886 7.187 ( -1.274 0.167 -0.597) 1.417 7.391 ( 1.788 -6.969 -1.044) 7.270 7.435 ( -4.583 -0.476 1.424) 4.823 7.675 ( 2.729 3.021 2.964) 5.036 8.005 ( 4.118 -6.675 7.471) 10.832 8.130 ( -0.655 -5.655 2.545) 6.236 8.680 ( -9.895 -7.999 -0.181) 12.725 8.784 ( -0.025 -8.635 1.209) 8.719 8.821 ( -4.609 -2.347 4.734) 7.012 9.043 ( 2.463 -2.008 1.490) 3.509 9.440 ( -3.123 -8.029 0.779) 8.650 9.562 ( 1.045 -5.547 -0.435) 5.661 10.256 ( 1.495 -2.330 1.606) 3.200 10.339 ( 2.785 14.431 1.890) 14.818 10.461 ( 3.697 6.056 -1.633) 7.281 10.575 ( 4.860 3.153 -2.685) 6.385 11.143 ( -2.841 -0.174 -2.029) 3.496 11.242 ( 2.231 -1.897 1.040) 3.108 11.479 ( -1.138 1.905 4.113) 4.673 11.526 ( -5.169 4.478 -1.416) 6.984 11.703 ( 1.355 11.943 -1.442) 12.106 11.794 ( 2.552 3.956 -0.782) 4.773 12.332 ( 0.820 -6.436 1.049) 6.572 12.397 ( -0.146 -2.716 -0.566) 2.778 12.433 ( -0.112 -2.894 -0.028) 2.896 12.470 ( -0.730 0.262 -1.332) 1.541 12.737 ( -0.397 2.078 0.677) 2.222 12.773 ( 0.491 1.663 0.314) 1.762 ======================= Grid point 138 (54/192) ======================= q-point: (-0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -23.021 12.477 -3.910) 26.475 2.066 ( -22.565 23.206 -5.285) 32.797 2.835 ( -3.936 14.875 2.176) 15.540 2.997 ( -3.420 5.864 0.471) 6.805 3.276 ( -31.351 7.302 -8.793) 33.370 3.493 ( -7.176 0.205 6.830) 9.909 3.815 ( 12.588 0.149 6.098) 13.989 3.905 ( 6.791 -3.868 -8.566) 11.595 4.874 ( 4.855 -1.067 1.450) 5.178 4.988 ( 2.309 3.562 1.984) 4.686 5.125 ( -2.457 -1.546 2.840) 4.061 5.173 ( 3.106 9.886 2.932) 10.770 5.661 ( -2.679 3.974 4.512) 6.582 5.820 ( 0.590 0.650 -10.515) 10.551 6.278 ( -3.235 2.957 -1.248) 4.557 6.304 ( 0.554 18.846 5.835) 19.736 6.588 ( 1.616 -10.181 -4.434) 11.222 6.766 ( 5.683 1.277 -1.901) 6.127 6.951 ( 5.926 4.729 -11.134) 13.470 7.124 ( 6.215 -2.035 -0.053) 6.540 7.142 ( -0.086 3.753 -4.731) 6.040 7.351 ( -4.296 -4.525 6.513) 9.019 7.529 ( 6.699 -2.989 2.001) 7.603 7.763 ( 2.377 1.474 3.614) 4.570 8.045 ( -2.619 -7.767 1.808) 8.394 8.224 ( 3.654 -6.153 1.909) 7.406 8.416 ( -10.054 -5.201 -0.542) 11.333 8.782 ( -3.685 -9.847 2.571) 10.824 8.805 ( -4.586 -4.833 3.150) 7.370 9.080 ( -3.455 1.492 0.625) 3.815 9.401 ( 1.192 -10.503 2.048) 10.768 9.514 ( -4.588 -2.427 -2.765) 5.881 10.305 ( 2.252 -1.228 1.682) 3.067 10.398 ( 3.275 8.632 -0.666) 9.257 10.540 ( 4.979 8.105 -0.718) 9.539 10.657 ( 6.644 4.924 -3.286) 8.898 11.099 ( -0.137 3.631 -0.104) 3.635 11.305 ( 2.773 -2.203 1.885) 4.012 11.431 ( -3.313 1.824 0.620) 3.832 11.474 ( -2.895 2.742 1.110) 4.139 11.717 ( 1.097 8.712 -0.694) 8.808 11.836 ( 2.843 7.153 -0.132) 7.698 12.346 ( 0.125 -6.119 0.012) 6.121 12.403 ( 0.581 -3.538 0.204) 3.591 12.421 ( -1.084 -0.233 -0.283) 1.144 12.449 ( -0.163 -1.435 -0.494) 1.527 12.734 ( -0.549 1.951 0.595) 2.112 12.786 ( 0.549 0.771 0.258) 0.981 ======================= Grid point 139 (55/192) ======================= q-point: (-0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -24.009 19.394 0.242) 30.865 1.582 ( -26.052 26.431 -1.748) 37.153 2.435 ( -44.375 22.054 -2.344) 49.608 2.764 ( -6.744 16.530 1.033) 17.883 3.106 ( 5.953 5.375 4.526) 9.209 3.307 ( -12.037 3.824 -3.780) 13.183 4.020 ( 9.341 -5.327 -4.962) 11.842 4.048 ( 8.551 -2.297 2.726) 9.264 4.926 ( 1.789 3.222 -3.054) 4.786 5.009 ( -1.297 -7.330 3.031) 8.037 5.162 ( 2.822 8.385 -0.026) 8.847 5.278 ( 3.614 10.268 4.301) 11.704 5.642 ( -4.080 0.207 6.616) 7.776 5.726 ( 0.535 0.088 -12.156) 12.169 6.192 ( -0.989 5.918 -7.706) 9.766 6.359 ( -1.295 9.362 7.087) 11.813 6.649 ( 7.248 -5.989 -1.103) 9.467 6.853 ( 5.998 -1.063 -3.453) 7.003 6.989 ( 6.444 7.325 -5.204) 11.057 7.059 ( -2.910 -2.659 -0.610) 3.988 7.247 ( 1.421 -1.554 8.428) 8.687 7.421 ( 3.608 -8.066 4.572) 9.949 7.619 ( -0.060 0.745 3.351) 3.433 7.780 ( -2.306 1.182 0.726) 2.691 7.947 ( -5.932 -9.917 -3.089) 11.962 8.278 ( 5.795 -4.522 0.353) 7.359 8.377 ( -2.854 -4.055 2.383) 5.502 8.680 ( -8.730 -13.342 -1.416) 16.007 8.724 ( -7.279 -2.979 4.329) 8.978 8.982 ( -3.343 -8.376 1.393) 9.126 9.351 ( -10.199 -3.791 -3.583) 11.455 9.495 ( 3.014 -3.602 3.311) 5.747 10.368 ( 2.636 -0.665 1.594) 3.151 10.451 ( 4.003 8.330 -1.805) 9.416 10.591 ( 2.042 10.677 -1.779) 11.015 10.753 ( 7.149 1.168 -2.750) 7.748 11.149 ( 5.866 8.679 -0.247) 10.478 11.358 ( 1.167 -3.733 0.174) 3.915 11.408 ( -1.382 -1.362 2.383) 3.073 11.451 ( 1.263 6.834 0.843) 7.001 11.718 ( -0.672 6.492 -0.047) 6.527 11.899 ( 3.943 11.208 0.492) 11.891 12.348 ( 0.396 -5.994 -0.112) 6.008 12.390 ( -0.969 -1.019 -0.875) 1.656 12.410 ( -0.634 -1.201 0.754) 1.553 12.455 ( 0.562 -2.716 0.338) 2.794 12.730 ( -0.533 1.519 0.584) 1.713 12.794 ( 0.200 -0.433 -0.202) 0.517 ======================= Grid point 140 (56/192) ======================= q-point: (-0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -17.463 27.911 10.310) 34.500 1.132 ( -25.518 27.331 8.258) 38.293 1.745 ( -31.847 45.667 16.179) 57.979 2.661 ( -4.089 18.100 -1.648) 18.629 3.035 ( -7.819 6.733 -12.664) 16.336 3.299 ( 4.421 4.302 11.916) 13.418 4.089 ( 4.714 -5.964 -6.813) 10.208 4.184 ( 5.496 -5.315 -1.702) 7.833 4.898 ( -3.171 0.377 1.077) 3.370 5.036 ( 4.408 0.709 -3.116) 5.445 5.170 ( 0.623 7.454 -3.585) 8.295 5.346 ( 0.598 11.478 0.776) 11.520 5.605 ( -2.369 -0.975 -8.103) 8.498 5.688 ( 0.988 -0.943 9.374) 9.473 6.112 ( -0.605 2.080 -4.170) 4.699 6.369 ( -3.042 6.181 0.441) 6.904 6.764 ( 6.714 -0.282 -3.149) 7.421 6.872 ( -0.561 -4.218 -0.433) 4.277 7.039 ( 0.320 7.560 -2.103) 7.854 7.084 ( 3.661 1.691 3.075) 5.071 7.357 ( -2.656 -7.415 8.106) 11.303 7.470 ( -6.134 -10.624 21.237) 24.526 7.640 ( 1.022 -2.668 0.530) 2.906 7.720 ( -6.052 -5.718 -1.375) 8.439 7.894 ( 7.428 -4.761 -3.538) 9.506 8.266 ( -7.372 -2.069 -2.740) 8.132 8.361 ( -0.766 -4.563 1.439) 4.845 8.510 ( -6.122 -13.667 1.934) 15.100 8.704 ( 0.573 0.634 7.506) 7.555 8.994 ( -7.859 -16.750 3.013) 18.746 9.104 ( -6.277 -2.338 -1.754) 6.924 9.517 ( -2.239 1.439 0.499) 2.708 10.409 ( 0.997 -1.636 -0.511) 1.983 10.513 ( 3.760 9.559 -0.148) 10.273 10.604 ( 1.490 11.275 -1.480) 11.469 10.830 ( 3.264 -2.297 -1.956) 4.445 11.261 ( 7.238 1.926 -5.583) 9.342 11.342 ( -0.469 -3.491 -2.786) 4.491 11.468 ( 3.119 2.367 1.793) 4.307 11.526 ( 7.433 6.523 -1.541) 10.009 11.698 ( -1.288 5.862 0.296) 6.009 11.990 ( 6.834 14.853 -2.995) 16.622 12.356 ( 0.400 -4.401 -0.183) 4.423 12.379 ( 0.392 -1.764 0.584) 1.899 12.402 ( -0.942 -1.121 0.496) 1.545 12.463 ( -0.194 -2.569 -0.503) 2.625 12.728 ( -0.427 0.813 0.666) 1.134 12.774 ( -1.881 -0.708 -1.757) 2.669 ======================= Grid point 141 (57/192) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 1.120 31.546 13.540) 34.347 1.634 ( -0.454 31.517 12.243) 33.814 2.783 ( 0.768 50.986 16.679) 53.651 2.999 ( 3.093 13.590 -11.909) 18.333 3.065 ( -4.045 22.478 -9.231) 24.634 3.551 ( -1.053 5.029 7.843) 9.376 3.939 ( 0.001 -1.377 -4.646) 4.846 4.116 ( -0.289 -2.020 -1.538) 2.556 4.840 ( -1.136 -6.726 2.669) 7.325 5.217 ( 9.627 1.856 -1.802) 9.969 5.247 ( -4.568 7.010 -0.762) 8.402 5.383 ( -1.523 -4.071 -5.979) 7.392 5.625 ( -3.626 12.951 0.954) 13.483 5.823 ( 2.888 -0.133 6.549) 7.158 6.131 ( 4.549 -1.845 0.588) 4.944 6.467 ( 3.817 11.951 -12.697) 17.849 6.752 ( 0.947 -7.656 1.718) 7.903 6.844 ( -2.195 0.216 4.274) 4.810 7.051 ( -9.476 3.380 5.661) 11.544 7.203 ( -6.156 4.306 1.162) 7.602 7.398 ( 2.114 3.275 1.558) 4.198 7.451 ( 3.860 -13.146 -1.075) 13.743 7.469 ( -0.069 -2.713 6.693) 7.222 7.607 ( -0.680 5.784 -1.723) 6.073 7.950 ( 10.569 -5.622 0.389) 11.978 8.125 ( -5.767 0.265 5.368) 7.883 8.225 ( -1.665 -0.514 1.161) 2.094 8.331 ( 1.221 -3.706 2.065) 4.415 8.680 ( -4.961 -0.168 -5.132) 7.139 8.787 ( -10.061 -9.288 -4.347) 14.366 9.089 ( 13.054 3.948 11.173) 17.630 9.569 ( -1.618 3.669 -0.458) 4.036 10.345 ( -1.450 -2.467 -0.292) 2.877 10.700 ( -3.342 -4.825 -3.101) 6.638 10.763 ( 3.556 3.526 0.647) 5.049 10.806 ( 2.369 3.983 -2.188) 5.125 11.186 ( 0.508 -5.470 -0.777) 5.548 11.217 ( -0.008 -4.816 -6.161) 7.820 11.516 ( 0.728 -1.233 0.708) 1.598 11.690 ( -1.627 9.270 -2.066) 9.636 11.814 ( 0.047 4.049 0.921) 4.152 12.124 ( 2.974 -2.607 -5.193) 6.528 12.257 ( 1.117 -7.118 1.343) 7.329 12.320 ( -2.095 1.437 1.018) 2.736 12.395 ( -2.317 -0.385 -0.628) 2.431 12.433 ( -1.069 4.144 -1.031) 4.403 12.747 ( -0.110 1.811 0.255) 1.833 12.774 ( 0.609 -0.238 0.175) 0.677 ======================= Grid point 142 (58/192) ======================= q-point: ( 0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 7.484 25.689 16.648) 31.513 1.941 ( 14.730 22.588 16.358) 31.541 2.880 ( 3.014 16.725 -14.201) 22.147 2.955 ( 4.503 19.833 -13.026) 24.152 3.119 ( 10.094 40.674 17.501) 45.415 3.569 ( -4.020 0.369 7.445) 8.469 3.898 ( 0.949 4.546 -3.925) 6.081 4.061 ( -3.309 -1.167 -3.842) 5.203 4.821 ( -4.017 -7.411 2.665) 8.841 5.132 ( -4.168 3.937 -0.643) 5.769 5.276 ( -3.561 0.362 -6.133) 7.101 5.430 ( 9.782 9.322 -4.243) 14.163 5.566 ( -1.257 11.071 3.551) 11.694 5.961 ( 4.965 -3.463 6.051) 8.559 6.222 ( 5.341 -5.105 -2.440) 7.780 6.377 ( -0.138 16.752 -12.111) 20.672 6.764 ( -5.200 4.291 3.797) 7.737 6.830 ( 0.643 -5.570 2.692) 6.220 6.995 ( -1.819 -1.912 5.607) 6.197 7.108 ( -4.461 -0.030 0.765) 4.526 7.338 ( -3.487 -8.135 -5.568) 10.456 7.480 ( -5.062 -1.716 7.263) 9.018 7.592 ( 3.396 2.802 2.486) 5.056 7.623 ( 5.129 -0.575 -2.488) 5.730 8.055 ( -6.039 2.600 5.192) 8.378 8.130 ( 2.245 -3.781 3.049) 5.351 8.194 ( -0.518 -7.886 0.361) 7.911 8.468 ( 8.491 -0.244 1.866) 8.697 8.537 ( -4.006 -4.545 -0.965) 6.135 8.695 ( 4.332 -7.977 -1.734) 9.241 9.389 ( 8.878 3.870 8.078) 12.611 9.485 ( -6.116 2.398 -3.915) 7.647 10.305 ( -2.329 -2.633 -0.857) 3.618 10.602 ( -4.115 -4.159 -2.235) 6.263 10.748 ( -1.464 2.441 -3.733) 4.695 10.871 ( 3.373 5.799 0.562) 6.732 11.153 ( 0.023 -5.502 -5.593) 7.846 11.205 ( 2.307 -4.470 -0.369) 5.043 11.474 ( -6.412 5.233 0.966) 8.332 11.640 ( -0.983 5.977 -0.949) 6.131 11.835 ( 1.012 2.834 1.315) 3.284 12.103 ( 0.242 4.390 -6.582) 7.916 12.243 ( -4.198 -3.111 1.856) 5.545 12.298 ( 0.421 -3.915 1.562) 4.236 12.401 ( 1.832 -0.116 0.787) 1.997 12.412 ( 0.212 3.002 -0.804) 3.115 12.752 ( 0.362 1.751 0.174) 1.797 12.785 ( 0.497 -0.226 -0.253) 0.601 ======================= Grid point 143 (59/192) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 10.279 18.872 17.347) 27.617 2.400 ( 18.176 15.024 14.455) 27.659 2.853 ( 8.646 16.799 -12.039) 22.403 2.892 ( 6.488 14.550 -17.378) 23.575 3.464 ( 7.113 25.809 10.334) 28.696 3.604 ( 0.281 3.457 11.686) 12.190 3.868 ( -5.939 7.482 -5.273) 10.911 3.943 ( 1.110 0.829 -4.691) 4.892 4.737 ( -7.682 -9.765 1.856) 12.563 5.066 ( -2.443 -0.179 -2.735) 3.671 5.171 ( -1.325 7.743 -3.163) 8.468 5.400 ( -2.427 15.722 -4.083) 16.424 5.733 ( 8.936 7.673 4.139) 12.484 6.097 ( 3.962 -0.933 4.404) 5.997 6.234 ( -0.329 13.768 -10.500) 17.318 6.300 ( 4.018 -5.714 -1.849) 7.226 6.706 ( -2.651 14.219 0.850) 14.489 6.899 ( 2.799 -9.768 1.299) 10.244 7.021 ( -1.842 -0.536 4.849) 5.215 7.065 ( -2.581 -3.213 1.811) 4.501 7.215 ( -4.266 -7.561 -1.039) 8.743 7.435 ( -4.481 0.686 2.726) 5.290 7.603 ( -1.812 0.221 -2.772) 3.319 7.714 ( 5.161 -5.335 2.494) 7.831 7.983 ( -7.143 2.214 3.172) 8.123 8.108 ( -3.756 -2.307 1.995) 4.839 8.263 ( 5.697 -5.292 2.385) 8.133 8.531 ( 1.687 -6.818 1.158) 7.118 8.572 ( 4.779 -1.256 -1.957) 5.315 8.905 ( 12.735 -2.677 3.473) 13.469 9.272 ( -10.404 -1.767 -6.740) 12.522 9.553 ( 2.612 1.109 4.033) 4.932 10.249 ( -2.956 -3.268 -0.416) 4.426 10.519 ( -2.933 -2.559 -1.547) 4.189 10.676 ( -2.126 2.950 -3.405) 4.982 10.895 ( -0.663 8.400 -1.939) 8.646 11.129 ( 1.236 -5.114 -1.596) 5.498 11.263 ( 2.948 -1.680 0.794) 3.485 11.344 ( -5.758 3.413 -0.625) 6.722 11.643 ( 0.349 7.453 1.638) 7.639 11.869 ( 1.181 2.037 1.380) 2.730 12.018 ( -2.592 6.987 -4.596) 8.755 12.221 ( -0.854 -8.296 1.294) 8.439 12.300 ( -1.474 -2.158 0.642) 2.691 12.423 ( 1.230 2.664 0.002) 2.934 12.453 ( 2.427 1.453 1.129) 3.045 12.761 ( 0.488 1.800 -0.008) 1.865 12.788 ( 0.313 0.237 -0.404) 0.563 ======================= Grid point 144 (60/192) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 8.347 13.742 12.776) 20.536 2.837 ( 15.084 13.928 8.795) 22.335 2.893 ( 10.847 13.832 -10.851) 20.657 2.953 ( 11.571 14.843 -6.628) 19.953 3.495 ( -8.699 4.442 -2.107) 9.992 3.644 ( -5.580 15.557 -0.865) 16.550 3.773 ( 3.393 5.779 4.954) 8.334 3.996 ( 4.551 1.760 -0.606) 4.917 4.605 ( -8.184 -10.774 2.401) 13.741 4.990 ( -2.659 -0.663 -1.538) 3.142 5.177 ( 3.583 8.156 -2.045) 9.140 5.328 ( -1.838 13.647 -2.519) 13.999 5.888 ( 4.562 9.339 1.449) 10.494 6.090 ( -2.133 8.191 -6.096) 10.431 6.241 ( 5.455 3.837 1.492) 6.834 6.366 ( 3.085 -3.217 -0.627) 4.501 6.663 ( -1.905 12.993 -3.711) 13.647 6.873 ( -4.819 3.599 -1.817) 6.283 6.996 ( -1.526 -4.326 -2.281) 5.124 7.104 ( 6.320 -5.298 4.732) 9.508 7.242 ( 0.025 -8.595 10.083) 13.249 7.381 ( -3.153 1.902 -0.185) 3.687 7.532 ( -0.873 -0.545 -3.988) 4.118 7.845 ( -4.234 -8.240 2.449) 9.582 7.857 ( 3.466 -3.147 -0.243) 4.688 8.068 ( -7.330 8.986 8.853) 14.589 8.374 ( 2.553 -5.398 -3.605) 6.975 8.582 ( 4.426 -2.393 -0.802) 5.095 8.667 ( 6.635 -1.959 3.614) 7.805 8.954 ( -7.101 -3.288 -6.635) 10.259 9.202 ( 7.024 -7.341 3.645) 10.794 9.554 ( -4.850 -2.070 -0.090) 5.274 10.199 ( -2.481 -3.718 0.588) 4.508 10.471 ( -0.529 -0.548 -1.540) 1.718 10.615 ( -1.808 4.089 -1.811) 4.824 10.816 ( -4.243 11.699 -2.892) 12.776 11.150 ( 1.521 -5.878 -0.306) 6.080 11.220 ( -4.995 1.222 1.881) 5.476 11.391 ( 6.855 -0.344 0.207) 6.867 11.662 ( 0.007 9.173 0.769) 9.205 11.910 ( 2.057 2.064 1.184) 3.146 11.935 ( -2.557 5.558 -2.626) 6.658 12.219 ( -0.712 -9.130 0.818) 9.195 12.261 ( -3.062 -3.018 -0.066) 4.299 12.445 ( 1.153 2.405 -0.014) 2.667 12.504 ( 1.971 3.395 0.777) 4.002 12.769 ( 0.475 2.090 -0.085) 2.145 12.791 ( 0.363 0.871 -0.165) 0.958 ======================= Grid point 145 (61/192) ======================= q-point: ( 0.40 0.20 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 4.479 10.412 5.503) 12.600 2.972 ( 8.131 17.786 -5.324) 20.268 3.084 ( 6.430 10.343 -4.907) 13.130 3.173 ( 9.684 14.980 8.000) 19.549 3.249 ( -6.534 10.258 -5.078) 13.179 3.615 ( -3.248 16.609 2.465) 17.102 3.829 ( 0.858 -3.685 0.254) 3.792 4.056 ( 2.361 -3.877 -0.701) 4.593 4.514 ( -5.692 -11.014 5.496) 13.561 4.952 ( -1.551 1.535 1.335) 2.558 5.224 ( 3.865 7.273 -3.373) 8.900 5.293 ( 0.172 8.152 -0.894) 8.203 5.894 ( -2.230 13.997 -3.053) 14.498 6.058 ( 5.133 0.848 -5.705) 7.721 6.311 ( -0.130 -1.754 0.274) 1.780 6.405 ( 1.306 5.972 1.255) 6.241 6.550 ( -2.592 2.326 -6.778) 7.621 6.804 ( -1.885 15.802 1.322) 15.969 6.989 ( 1.551 -1.013 -0.398) 1.895 7.262 ( -2.535 -1.920 -2.864) 4.279 7.307 ( 6.953 -8.719 7.774) 13.595 7.358 ( 2.324 -0.666 -2.600) 3.550 7.504 ( -0.604 1.425 -0.316) 1.579 7.715 ( -5.542 0.741 -0.297) 5.599 7.958 ( -7.586 11.084 3.972) 14.006 8.063 ( 5.094 -11.918 8.498) 15.499 8.278 ( -4.750 -1.829 -5.851) 7.755 8.654 ( 4.212 1.026 -1.481) 4.581 8.746 ( -2.606 -9.596 0.809) 9.977 8.970 ( 11.475 -6.836 5.459) 14.429 9.318 ( -0.898 -3.643 1.345) 3.986 9.394 ( -7.796 -5.294 -2.204) 9.678 10.174 ( -1.310 -3.194 1.364) 3.712 10.466 ( 1.497 0.092 -2.376) 2.810 10.579 ( -0.739 4.290 0.034) 4.353 10.727 ( -3.002 15.379 -1.018) 15.702 11.146 ( -2.279 -2.194 0.340) 3.182 11.187 ( -0.029 -4.829 0.967) 4.925 11.523 ( 6.464 1.995 0.716) 6.803 11.656 ( -0.859 6.727 -0.012) 6.781 11.863 ( -2.307 7.054 -2.062) 7.703 11.971 ( 2.776 3.990 0.485) 4.885 12.183 ( -4.036 -4.429 0.028) 5.992 12.220 ( -0.448 -11.090 -0.224) 11.101 12.463 ( 0.822 1.996 -0.029) 2.158 12.535 ( 0.915 4.726 0.004) 4.814 12.776 ( 0.344 2.156 0.062) 2.184 12.797 ( 0.269 1.570 0.094) 1.596 ======================= Grid point 146 (62/192) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -9.059 11.095 -0.609) 14.336 3.047 ( 1.627 17.867 -1.357) 17.992 3.081 ( 4.067 8.591 -5.655) 11.060 3.248 ( 4.391 11.080 3.019) 12.295 3.383 ( 4.595 16.780 7.979) 19.140 3.534 ( -5.107 17.247 -1.430) 18.043 3.816 ( -1.421 -7.212 -1.863) 7.583 4.050 ( -1.503 -6.746 -2.983) 7.527 4.517 ( -1.512 -10.768 8.516) 13.812 4.952 ( -0.547 3.002 2.426) 3.898 5.259 ( 3.727 9.324 -2.290) 10.299 5.289 ( -0.625 3.553 -1.230) 3.811 5.836 ( 0.751 12.956 -4.073) 13.602 6.083 ( 3.158 1.638 -8.737) 9.434 6.290 ( -2.390 -5.641 1.971) 6.435 6.394 ( -0.583 6.492 -0.014) 6.518 6.535 ( 6.232 1.112 -4.536) 7.788 6.802 ( -0.914 14.622 1.911) 14.774 7.046 ( 2.945 2.220 4.123) 5.532 7.132 ( -4.994 -0.859 -7.454) 9.014 7.339 ( 2.053 1.117 -8.530) 8.845 7.436 ( -8.116 -1.216 0.921) 8.258 7.477 ( 1.844 -1.804 2.818) 3.821 7.682 ( 1.859 5.274 2.594) 6.165 7.847 ( -4.018 6.149 2.605) 7.794 8.067 ( -6.569 -12.184 -2.650) 14.094 8.344 ( 8.159 -3.398 7.583) 11.646 8.701 ( 1.955 -5.725 0.331) 6.059 8.766 ( 1.636 -1.629 4.537) 5.091 9.060 ( -12.960 -7.719 -3.214) 15.423 9.271 ( 9.822 -2.419 4.514) 11.077 9.373 ( -1.353 -7.254 0.773) 7.420 10.176 ( -0.291 -2.537 1.898) 3.182 10.463 ( 1.723 -0.280 -3.561) 3.965 10.592 ( -0.259 4.379 2.239) 4.925 10.696 ( 1.075 17.175 -0.452) 17.215 11.119 ( -0.808 -1.075 0.494) 1.433 11.195 ( 0.003 -5.489 0.403) 5.504 11.595 ( -1.216 8.128 0.201) 8.221 11.639 ( 0.303 -1.687 -0.070) 1.715 11.842 ( 2.200 8.886 -0.368) 9.161 11.981 ( -1.667 8.671 -2.349) 9.136 12.140 ( 0.307 -9.279 0.485) 9.297 12.212 ( -0.093 -11.472 -0.541) 11.485 12.473 ( 0.116 2.001 0.222) 2.016 12.536 ( -0.335 5.050 -0.737) 5.115 12.783 ( 0.178 2.291 0.396) 2.332 12.800 ( -0.083 1.584 0.064) 1.588 ======================= Grid point 147 (63/192) ======================= q-point: (-0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -15.044 14.664 -3.165) 21.246 2.867 ( -13.356 14.078 -6.169) 20.363 3.161 ( 1.545 17.031 1.777) 17.193 3.345 ( -6.279 10.731 7.644) 14.595 3.420 ( 4.455 9.892 -3.025) 11.263 3.608 ( 9.442 8.459 6.632) 14.307 3.756 ( -3.025 2.619 -1.547) 4.290 3.938 ( -5.927 -2.617 -6.101) 8.900 4.604 ( 1.553 -11.210 8.307) 14.039 4.984 ( 1.746 0.553 1.741) 2.527 5.229 ( -2.557 6.855 -1.561) 7.481 5.338 ( 5.011 10.884 0.302) 11.986 5.830 ( 1.930 10.136 -4.458) 11.240 5.995 ( -1.248 5.424 -10.358) 11.758 6.265 ( -0.667 -4.704 0.442) 4.772 6.410 ( 0.274 0.163 0.621) 0.698 6.663 ( 8.478 3.659 -0.719) 9.262 6.762 ( -2.826 7.357 -4.886) 9.272 6.999 ( 0.315 -1.503 -4.024) 4.307 7.177 ( 2.643 4.797 9.623) 11.073 7.213 ( -12.090 -3.109 -2.393) 12.711 7.287 ( 0.476 3.712 -7.768) 8.623 7.483 ( 0.373 3.833 -0.286) 3.861 7.765 ( 1.953 5.608 4.191) 7.268 7.920 ( 2.049 -2.226 2.951) 4.226 7.946 ( -0.355 -9.125 0.143) 9.133 8.498 ( 0.789 -7.393 4.573) 8.728 8.647 ( -9.592 -4.735 -5.144) 11.870 8.786 ( -4.436 -0.576 4.179) 6.122 8.984 ( 8.755 -3.433 5.983) 11.146 9.271 ( -8.005 -6.805 -1.079) 10.562 9.472 ( 5.733 -4.120 0.982) 7.128 10.203 ( 1.077 -2.321 2.566) 3.624 10.477 ( 2.811 -1.066 -2.232) 3.744 10.588 ( -0.429 7.301 0.360) 7.323 10.768 ( 5.709 13.465 0.251) 14.627 11.119 ( 0.513 -0.423 -0.253) 0.711 11.206 ( 0.588 -3.866 1.399) 4.153 11.509 ( -6.211 0.058 0.252) 6.217 11.655 ( 0.164 7.307 -0.047) 7.309 11.899 ( -2.758 5.630 -3.024) 6.960 11.916 ( 4.502 7.349 0.818) 8.657 12.174 ( 1.735 -7.884 -0.133) 8.074 12.214 ( 1.407 -10.558 -0.590) 10.667 12.472 ( -0.592 2.392 0.638) 2.546 12.510 ( -1.509 4.269 -1.102) 4.660 12.786 ( -0.451 2.232 0.339) 2.302 12.799 ( -0.023 1.161 0.152) 1.171 ======================= Grid point 148 (64/192) ======================= q-point: (-0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -17.046 19.772 -2.517) 26.227 2.497 ( -20.657 16.539 -4.584) 26.857 3.179 ( -1.069 15.400 3.460) 15.820 3.251 ( -5.076 16.199 -1.522) 17.044 3.459 ( -5.974 5.528 3.612) 8.905 3.582 ( -15.072 17.426 0.836) 23.055 3.804 ( 6.890 -1.209 -7.324) 10.128 3.889 ( 8.270 4.048 3.798) 9.960 4.718 ( 2.291 -12.826 6.814) 14.703 5.010 ( 0.729 -1.148 -2.758) 3.075 5.226 ( 2.466 8.490 2.901) 9.304 5.438 ( 4.812 12.895 1.398) 13.834 5.785 ( -1.339 6.152 -5.862) 8.602 5.872 ( -2.238 5.747 -8.317) 10.354 6.289 ( 2.863 1.132 -1.840) 3.586 6.391 ( -2.417 -7.460 -0.425) 7.853 6.623 ( -0.075 6.961 -5.008) 8.576 6.798 ( 3.789 1.297 -0.436) 4.028 6.999 ( -7.660 -8.029 -0.525) 11.109 7.105 ( 8.278 6.124 2.299) 10.550 7.205 ( 1.691 4.379 -8.236) 9.480 7.284 ( -4.259 -0.453 10.706) 11.531 7.573 ( 8.125 7.213 2.512) 11.152 7.816 ( -2.407 -1.059 4.808) 5.480 7.842 ( -1.906 -4.899 -3.054) 6.079 8.111 ( 5.987 -3.502 5.113) 8.617 8.350 ( -10.315 -1.767 -3.229) 10.952 8.530 ( -2.975 -10.370 -0.332) 10.794 8.745 ( -5.133 -1.705 2.520) 5.967 9.057 ( -12.604 -6.995 -2.842) 14.693 9.252 ( 11.191 -0.721 6.889) 13.161 9.498 ( -1.622 -0.525 -2.745) 3.231 10.265 ( 2.372 -1.825 3.130) 4.331 10.506 ( 1.857 -1.049 -0.358) 2.162 10.622 ( 4.989 4.590 -1.859) 7.030 10.847 ( 2.731 10.408 -2.116) 10.966 11.154 ( 3.777 1.905 0.397) 4.249 11.235 ( 0.646 -4.886 1.504) 5.153 11.411 ( -5.059 -1.643 1.275) 5.469 11.637 ( -1.233 9.403 -0.011) 9.483 11.846 ( -0.488 3.624 -1.713) 4.038 12.010 ( 4.806 6.688 0.386) 8.245 12.191 ( 0.997 -6.472 0.024) 6.548 12.249 ( 2.207 -9.113 -0.314) 9.382 12.462 ( -1.867 1.798 -0.739) 2.695 12.468 ( -1.437 3.659 0.863) 4.025 12.777 ( -0.669 1.417 0.160) 1.575 12.799 ( -0.238 1.126 0.082) 1.154 ======================= Grid point 149 (65/192) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -15.420 26.567 0.999) 30.734 2.067 ( -23.042 21.379 -0.717) 31.440 3.069 ( -17.088 31.982 -2.166) 36.325 3.146 ( -6.711 15.281 -4.115) 17.189 3.295 ( 0.149 18.885 9.556) 21.166 3.448 ( -5.939 11.596 -2.420) 13.251 3.881 ( 6.317 -6.432 -1.896) 9.212 4.048 ( 4.994 2.607 1.510) 5.833 4.798 ( 0.270 -13.323 4.349) 14.017 4.999 ( 3.225 1.611 -3.958) 5.354 5.321 ( 3.681 5.166 1.385) 6.493 5.523 ( 2.943 11.569 -0.280) 11.941 5.684 ( -5.614 5.265 0.136) 7.698 5.768 ( 0.060 3.971 -7.775) 8.730 6.217 ( -3.780 -2.293 -7.398) 8.618 6.424 ( 3.816 -0.929 1.892) 4.359 6.664 ( 4.211 3.043 1.260) 5.346 6.836 ( 0.932 0.913 -0.384) 1.360 6.921 ( -0.266 -6.741 1.422) 6.895 7.189 ( 4.720 6.299 -4.325) 8.981 7.248 ( -1.815 0.733 8.609) 8.828 7.330 ( 3.525 -0.269 3.685) 5.106 7.707 ( 0.412 5.941 1.023) 6.042 7.747 ( -7.525 -2.692 3.029) 8.547 7.814 ( 2.553 0.228 -5.258) 5.849 8.144 ( -0.794 -4.590 -0.093) 4.659 8.305 ( -2.792 -4.192 5.227) 7.258 8.497 ( 3.476 -6.494 1.730) 7.566 8.611 ( -11.055 -2.247 -0.651) 11.299 8.833 ( -7.821 -7.133 -0.666) 10.606 9.353 ( -7.919 -0.244 -5.302) 9.533 9.486 ( 5.937 3.017 4.079) 7.810 10.332 ( 1.523 -1.341 2.627) 3.320 10.556 ( 4.103 -1.331 0.178) 4.318 10.709 ( 6.273 1.728 -2.522) 6.978 10.832 ( -0.595 6.884 -3.326) 7.669 11.198 ( 0.843 -3.305 -2.080) 3.995 11.302 ( 3.373 -4.808 4.270) 7.261 11.345 ( -1.190 1.072 -1.856) 2.452 11.651 ( 1.795 10.424 1.923) 10.751 11.829 ( -0.542 3.622 -0.646) 3.719 12.083 ( 4.278 1.503 -2.747) 5.302 12.220 ( 1.100 -3.723 0.874) 3.979 12.288 ( 1.919 -5.189 1.589) 5.757 12.418 ( -1.465 0.565 -0.139) 1.577 12.458 ( -1.428 2.796 1.423) 3.447 12.765 ( -0.790 1.480 0.133) 1.683 12.790 ( -0.529 0.285 -0.373) 0.708 ======================= Grid point 150 (66/192) ======================= q-point: (-0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -9.816 32.261 6.073) 34.263 1.707 ( -16.991 29.008 5.592) 34.079 2.772 ( -13.292 50.248 7.585) 52.527 3.050 ( -0.553 15.402 -5.392) 16.328 3.266 ( -7.305 16.264 -7.661) 19.405 3.444 ( 3.511 11.428 8.518) 14.679 3.952 ( 2.962 -6.084 -2.421) 7.186 4.110 ( 1.761 -0.296 -0.224) 1.800 4.824 ( -0.323 -9.678 2.459) 9.991 5.068 ( 7.498 1.749 -2.426) 8.073 5.342 ( -0.854 6.701 -2.809) 7.316 5.481 ( -3.623 -2.865 -4.823) 6.678 5.647 ( -1.814 11.409 3.781) 12.156 5.744 ( 1.104 4.403 1.503) 4.782 6.106 ( -1.535 -1.902 -2.692) 3.636 6.485 ( 4.392 5.454 -6.018) 9.234 6.724 ( 1.191 -4.970 0.949) 5.198 6.835 ( -0.404 -0.638 0.781) 1.086 7.026 ( 4.725 2.271 7.129) 8.849 7.242 ( -2.493 3.380 6.757) 7.956 7.333 ( 5.323 0.934 5.633) 7.806 7.380 ( -0.873 -2.162 -0.290) 2.349 7.557 ( -9.032 -6.222 -3.171) 11.417 7.671 ( -4.453 8.121 -0.729) 9.291 7.836 ( 5.349 -1.075 -5.526) 7.765 8.151 ( -0.869 -3.346 1.695) 3.850 8.256 ( -4.940 -8.839 3.717) 10.786 8.386 ( -7.932 2.734 -0.460) 8.403 8.734 ( 7.676 2.432 7.875) 11.263 8.762 ( 2.614 -10.487 1.794) 10.956 9.086 ( -13.770 0.993 -6.931) 15.447 9.574 ( 0.837 3.075 1.476) 3.513 10.360 ( -0.409 -1.886 1.041) 2.193 10.655 ( 5.959 -1.441 0.673) 6.168 10.779 ( 0.998 1.263 -4.907) 5.165 10.781 ( 1.173 3.878 -0.501) 4.083 11.189 ( 0.314 -5.336 -1.193) 5.477 11.272 ( -1.288 -3.864 -3.357) 5.278 11.445 ( 6.089 -2.345 0.533) 6.547 11.702 ( 1.266 10.746 0.680) 10.841 11.814 ( -0.631 4.299 0.183) 4.349 12.114 ( 3.321 -3.078 -4.496) 6.381 12.235 ( 0.501 -7.391 0.248) 7.412 12.323 ( -0.014 0.427 0.850) 0.951 12.432 ( 0.291 -0.145 2.103) 2.128 12.440 ( -0.951 3.423 0.362) 3.571 12.752 ( -0.700 1.770 0.175) 1.912 12.774 ( -0.582 -0.199 -0.466) 0.772 ======================= Grid point 151 (67/192) ======================= q-point: ( 0.00 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.852 28.672 7.473) 29.642 2.274 ( -0.093 31.779 7.468) 32.644 3.242 ( 2.939 11.347 -8.407) 14.424 3.434 ( -1.997 13.273 -11.422) 17.625 3.491 ( 0.113 6.059 1.569) 6.260 3.831 ( -0.003 20.629 4.385) 21.090 4.028 ( -1.501 18.254 7.574) 19.820 4.261 ( -1.457 18.323 -0.045) 18.381 4.564 ( -0.802 -19.345 4.650) 19.912 5.020 ( 3.350 -18.861 -1.847) 19.245 5.367 ( -4.736 4.026 0.075) 6.217 5.411 ( 5.246 5.414 -2.104) 7.827 5.782 ( 0.008 -1.015 -0.789) 1.285 5.856 ( -1.773 3.647 3.492) 5.351 6.124 ( 3.464 2.332 -1.564) 4.459 6.600 ( 5.856 -1.169 -6.705) 8.979 6.753 ( 4.625 6.927 -3.631) 9.086 6.841 ( -3.454 1.518 8.804) 9.578 7.127 ( -7.598 2.130 -3.893) 8.799 7.192 ( -4.213 -6.106 9.652) 12.173 7.286 ( -6.375 3.425 -4.473) 8.507 7.333 ( 1.844 -5.250 0.639) 5.602 7.519 ( 7.619 4.896 4.725) 10.215 7.834 ( -3.625 11.155 -4.759) 12.658 7.887 ( 8.759 -0.165 0.698) 8.788 8.111 ( -1.989 -1.944 2.504) 3.742 8.308 ( -7.576 5.175 -0.915) 9.220 8.343 ( 7.686 5.442 3.382) 10.006 8.511 ( -2.923 -10.014 -2.631) 10.759 8.784 ( -11.545 3.667 -7.518) 14.257 9.152 ( 10.541 -0.407 11.010) 15.248 9.635 ( -1.474 4.397 0.168) 4.641 10.319 ( -1.053 -3.444 -0.770) 3.683 10.475 ( 0.704 -10.531 -0.440) 10.563 10.734 ( 1.016 -7.903 -3.324) 8.634 10.873 ( 1.506 3.584 -1.336) 4.111 11.100 ( -0.801 -3.669 -1.502) 4.045 11.182 ( -1.280 3.094 -2.556) 4.212 11.474 ( 3.439 -3.471 4.241) 6.470 11.798 ( -2.603 -1.386 -2.719) 4.011 11.891 ( -1.949 5.185 -1.862) 5.844 12.040 ( 2.031 -3.997 -0.980) 4.589 12.143 ( 3.183 -3.738 4.099) 6.395 12.353 ( -1.226 0.616 0.194) 1.386 12.388 ( -1.337 0.234 -0.340) 1.399 12.546 ( -0.770 6.287 -1.609) 6.536 12.743 ( 0.078 -2.467 0.557) 2.530 12.783 ( 0.074 1.390 -0.294) 1.423 ======================= Grid point 152 (68/192) ======================= q-point: ( 0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 4.418 25.716 10.405) 28.091 2.428 ( 7.044 25.038 10.414) 28.017 3.192 ( 3.151 14.933 -12.156) 19.511 3.285 ( 1.533 12.093 -16.973) 20.897 3.535 ( -1.238 0.346 8.679) 8.774 3.898 ( 2.523 10.405 1.125) 10.766 4.076 ( -1.039 27.454 7.823) 28.566 4.217 ( -2.420 18.446 -0.425) 18.609 4.559 ( -5.123 -18.042 5.120) 19.442 5.008 ( -1.786 -15.707 -2.299) 15.974 5.321 ( 0.203 4.526 -1.302) 4.714 5.579 ( 12.460 5.666 -1.224) 13.742 5.755 ( -1.510 2.349 -0.587) 2.854 5.894 ( 2.635 -1.097 3.249) 4.324 6.170 ( 2.899 0.667 -0.629) 3.041 6.635 ( 2.943 -1.402 -4.235) 5.344 6.741 ( -2.795 10.281 -4.835) 11.700 6.872 ( -0.281 1.835 6.039) 6.318 6.986 ( -2.107 0.219 -0.712) 2.235 7.111 ( -9.808 -0.315 5.216) 11.113 7.220 ( -0.422 0.681 -0.957) 1.248 7.379 ( 0.023 -4.463 4.132) 6.082 7.694 ( -1.819 5.539 1.857) 6.119 7.719 ( 4.821 4.793 -5.551) 8.776 8.023 ( 0.052 -3.781 3.320) 5.032 8.119 ( -0.564 -0.583 -2.837) 2.951 8.178 ( -2.250 6.048 0.285) 6.459 8.399 ( -3.688 -6.818 -1.005) 7.816 8.533 ( 6.885 5.635 1.788) 9.074 8.642 ( 4.384 1.965 -0.421) 4.823 9.377 ( 2.910 -5.285 7.014) 9.252 9.572 ( -4.086 4.253 -2.622) 6.454 10.275 ( -2.508 -2.365 -1.577) 3.791 10.487 ( 0.911 -3.099 -0.340) 3.248 10.704 ( -0.603 -5.786 -2.833) 6.471 10.912 ( 3.609 -1.532 -2.197) 4.494 11.033 ( -1.605 -4.721 -2.807) 5.722 11.191 ( 2.203 2.877 0.895) 3.732 11.557 ( -1.291 1.679 4.569) 5.036 11.704 ( -2.338 -0.132 -4.194) 4.803 11.842 ( -1.137 -0.940 -0.472) 1.549 12.062 ( 1.160 -2.831 -1.128) 3.261 12.232 ( -0.953 -2.990 3.207) 4.487 12.266 ( -2.864 0.339 -1.316) 3.170 12.419 ( 2.471 2.182 1.733) 3.724 12.516 ( 0.006 6.661 -1.951) 6.941 12.751 ( 0.250 -2.019 0.465) 2.087 12.791 ( 0.998 1.007 -0.514) 1.508 ======================= Grid point 153 (69/192) ======================= q-point: ( 0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 7.105 20.886 11.866) 25.050 2.704 ( 11.415 15.944 10.641) 22.311 3.139 ( 4.517 12.393 -12.887) 18.441 3.205 ( 6.972 14.356 -12.652) 20.366 3.594 ( -2.077 0.023 8.367) 8.621 3.874 ( -3.138 0.237 -5.505) 6.341 4.112 ( -1.406 18.889 2.931) 19.167 4.216 ( -0.132 28.338 4.281) 28.660 4.484 ( -7.627 -15.092 4.156) 17.413 4.941 ( -2.174 -11.260 -2.958) 11.844 5.322 ( 1.403 5.914 -2.272) 6.489 5.630 ( -2.729 4.405 -3.374) 6.183 5.867 ( 8.909 6.147 2.718) 11.160 6.011 ( 8.645 -3.588 0.423) 9.370 6.239 ( 4.301 -0.684 2.120) 4.844 6.554 ( -4.377 10.694 -7.392) 13.717 6.666 ( -1.666 -2.713 0.291) 3.197 6.946 ( 7.278 0.571 -7.742) 10.641 7.012 ( -1.163 -0.854 10.988) 11.082 7.022 ( -5.222 1.649 5.218) 7.564 7.187 ( -2.638 5.795 -1.842) 6.628 7.368 ( -4.680 -5.526 4.494) 8.523 7.617 ( -3.512 1.489 0.083) 3.815 7.781 ( 2.896 7.112 -2.264) 8.005 7.945 ( -5.969 -2.899 -4.174) 7.839 8.072 ( 0.944 -2.263 2.359) 3.403 8.215 ( 3.278 2.957 0.542) 4.447 8.434 ( 2.352 -1.686 2.346) 3.725 8.628 ( 6.268 2.071 0.245) 6.606 8.864 ( 11.665 0.124 5.150) 12.751 9.287 ( -11.542 1.110 -5.563) 12.861 9.529 ( -1.655 -4.753 2.187) 5.488 10.208 ( -2.905 -0.232 -1.258) 3.174 10.492 ( 0.414 1.972 -1.098) 2.295 10.672 ( -0.316 -2.481 -1.583) 2.960 10.894 ( 0.373 -7.375 -5.870) 9.433 11.072 ( 3.609 0.105 2.303) 4.282 11.258 ( 3.853 1.023 1.672) 4.323 11.449 ( -8.291 5.346 -2.270) 10.123 11.711 ( 1.852 -0.522 1.772) 2.616 11.845 ( 0.858 -3.322 0.943) 3.558 12.052 ( -0.467 -2.897 -2.530) 3.874 12.126 ( -4.923 -1.190 -1.913) 5.414 12.282 ( -2.332 -0.984 3.321) 4.176 12.498 ( 4.122 2.781 1.696) 5.254 12.514 ( 1.200 6.356 -1.146) 6.569 12.766 ( 0.970 -1.050 0.596) 1.549 12.802 ( 0.876 0.956 -0.717) 1.482 ======================= Grid point 154 (70/192) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 6.504 17.386 8.917) 20.593 3.015 ( 11.654 8.143 8.247) 16.436 3.150 ( 8.048 10.940 -6.918) 15.242 3.268 ( 9.434 12.223 -7.719) 17.262 3.591 ( -3.948 2.706 -0.221) 4.791 3.736 ( -3.728 0.887 -3.160) 4.967 4.106 ( -2.799 11.736 2.441) 12.310 4.211 ( -4.961 20.686 3.061) 21.492 4.394 ( -5.559 -5.637 3.231) 8.551 4.888 ( -0.550 -8.900 -2.173) 9.178 5.326 ( 1.702 5.493 -2.451) 6.252 5.529 ( -4.695 3.606 -2.753) 6.529 5.995 ( 5.582 4.312 -1.971) 7.324 6.173 ( 5.984 -0.943 2.518) 6.560 6.278 ( -4.635 2.691 -0.328) 5.369 6.495 ( 6.920 9.685 -5.413) 13.076 6.641 ( -1.163 -4.795 -1.858) 5.272 6.907 ( -3.407 -3.164 -5.158) 6.944 7.021 ( 3.012 2.518 -1.108) 4.079 7.119 ( -0.651 4.420 9.372) 10.382 7.172 ( 2.824 2.613 6.226) 7.319 7.397 ( 2.707 -6.250 5.607) 8.822 7.525 ( -2.432 5.653 -7.390) 9.617 7.746 ( -5.819 -0.514 2.059) 6.194 7.904 ( 2.366 7.106 -0.783) 7.530 8.119 ( -2.002 -1.045 6.951) 7.308 8.292 ( 5.070 -2.246 -3.753) 6.696 8.509 ( 4.811 -2.464 4.688) 7.155 8.707 ( -0.597 -0.831 -1.677) 1.964 9.003 ( -6.145 7.653 -7.816) 12.546 9.101 ( 6.488 -1.891 5.214) 8.536 9.465 ( -7.493 -8.120 0.676) 11.070 10.162 ( -1.487 1.775 0.273) 2.332 10.490 ( 0.975 3.240 -1.581) 3.735 10.659 ( -0.435 0.665 -0.292) 0.846 10.864 ( 1.914 -7.295 -3.782) 8.437 11.115 ( -0.774 3.914 0.042) 3.990 11.277 ( -6.037 2.682 0.841) 6.659 11.391 ( 6.454 0.866 0.296) 6.519 11.754 ( 1.012 -1.437 0.746) 1.909 11.873 ( 0.518 -2.437 1.439) 2.877 12.005 ( -0.589 -1.492 -3.512) 3.861 12.051 ( -2.635 -4.224 -0.249) 4.984 12.240 ( -4.602 -1.628 1.750) 5.186 12.525 ( 0.786 5.878 -0.475) 5.949 12.586 ( 3.805 4.117 0.858) 5.671 12.796 ( 1.359 0.401 0.523) 1.510 12.810 ( 0.612 0.964 -0.304) 1.181 ======================= Grid point 155 (71/192) ======================= q-point: ( 0.40 0.30 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 3.984 15.793 3.134) 16.587 3.219 ( 2.614 6.073 3.279) 7.380 3.260 ( 4.005 8.867 -3.102) 10.213 3.315 ( 4.139 4.454 -1.071) 6.173 3.564 ( 9.558 11.136 -7.195) 16.344 3.714 ( -0.704 -3.141 2.114) 3.851 4.030 ( -6.614 13.254 -0.090) 14.813 4.138 ( -6.256 9.659 5.070) 12.576 4.348 ( -3.426 2.429 4.091) 5.863 4.887 ( 1.501 -7.847 -0.533) 8.007 5.342 ( 2.063 4.154 -0.876) 4.721 5.419 ( -3.521 1.844 -3.162) 5.079 6.046 ( 3.564 3.450 -5.142) 7.145 6.168 ( -2.933 6.919 -2.777) 8.011 6.260 ( 0.126 -1.207 3.226) 3.447 6.549 ( 2.950 7.332 -4.596) 9.142 6.570 ( -1.519 0.085 -4.718) 4.957 6.844 ( -0.877 -5.162 -0.435) 5.254 7.072 ( 2.512 0.651 -2.759) 3.788 7.217 ( 2.506 1.140 7.902) 8.368 7.309 ( 5.122 4.302 3.976) 7.782 7.418 ( 0.598 5.760 -9.712) 11.308 7.535 ( 4.459 1.149 3.732) 5.927 7.698 ( -3.424 -2.254 7.517) 8.562 7.878 ( -3.096 1.263 -2.784) 4.351 8.116 ( -6.917 2.944 5.286) 9.190 8.322 ( 3.042 4.486 -1.519) 5.629 8.525 ( -6.467 -8.330 -1.852) 10.707 8.749 ( 10.899 -3.185 4.169) 12.096 8.958 ( 3.139 11.289 -1.730) 11.845 9.228 ( 1.963 -4.198 3.362) 5.725 9.277 ( -11.793 -8.551 -1.379) 14.632 10.155 ( -0.584 2.953 1.777) 3.495 10.493 ( 1.572 2.682 -2.968) 4.298 10.656 ( -0.609 3.356 2.295) 4.111 10.893 ( 3.957 -2.378 -1.720) 4.927 11.071 ( -2.776 1.932 -0.269) 3.393 11.197 ( -4.021 2.570 1.253) 4.934 11.525 ( 7.000 -0.133 0.503) 7.019 11.739 ( -2.795 -0.349 -0.770) 2.920 11.906 ( 2.524 -6.245 0.606) 6.763 11.979 ( 0.451 0.811 -2.123) 2.317 12.012 ( -1.282 -5.953 -0.554) 6.114 12.160 ( -5.156 -1.907 0.458) 5.517 12.533 ( 0.597 5.563 -0.231) 5.599 12.644 ( 2.023 5.269 -0.174) 5.647 12.811 ( 0.543 1.125 -0.290) 1.283 12.827 ( 0.540 1.278 0.747) 1.575 ======================= Grid point 156 (72/192) ======================= q-point: (-0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -6.581 14.391 -1.588) 15.904 3.230 ( -2.487 6.586 -4.085) 8.139 3.268 ( 4.674 7.315 3.243) 9.267 3.438 ( 3.568 5.614 3.279) 7.416 3.654 ( -2.564 -0.260 -3.089) 4.023 3.713 ( 7.814 2.624 -6.898) 10.748 3.929 ( -4.704 16.407 4.293) 17.600 4.098 ( -2.649 9.326 4.018) 10.494 4.359 ( -1.049 2.402 6.345) 6.865 4.901 ( -0.005 -7.830 -0.555) 7.850 5.362 ( 0.266 2.254 -0.297) 2.289 5.397 ( 3.883 3.440 -0.512) 5.213 6.018 ( 1.607 4.862 -7.633) 9.191 6.148 ( 2.449 4.472 -3.452) 6.157 6.244 ( -4.099 0.834 2.300) 4.774 6.537 ( 0.606 6.720 -3.008) 7.388 6.565 ( 6.130 1.771 -3.672) 7.362 6.832 ( -1.012 -4.007 1.228) 4.311 7.015 ( -3.844 -2.808 -6.475) 8.036 7.291 ( -1.194 -1.341 -0.808) 1.969 7.346 ( 0.544 6.887 -4.611) 8.306 7.406 ( -2.582 2.851 3.236) 5.026 7.553 ( -0.530 5.925 0.596) 5.978 7.758 ( -0.121 -0.283 8.634) 8.639 7.849 ( 2.130 -3.174 -0.574) 3.865 7.962 ( -6.653 4.349 -3.408) 8.649 8.399 ( 2.964 7.022 3.278) 8.297 8.533 ( 4.189 -7.069 6.670) 10.584 8.885 ( -5.580 -5.681 -1.700) 8.143 8.957 ( -1.680 12.252 -0.075) 12.366 9.168 ( 6.384 -9.240 2.552) 11.517 9.249 ( -2.548 -5.199 1.337) 5.942 10.168 ( -0.529 3.127 2.691) 4.159 10.491 ( 2.065 3.106 -3.773) 5.306 10.676 ( -1.250 3.347 4.320) 5.606 10.951 ( 3.451 7.087 -1.798) 8.085 11.039 ( -0.890 -4.850 1.863) 5.271 11.158 ( -1.080 1.982 0.834) 2.406 11.607 ( -2.233 -0.771 -0.088) 2.364 11.687 ( 2.104 -0.005 -1.038) 2.346 11.933 ( -0.678 -6.574 -0.994) 6.684 11.988 ( 0.773 -6.571 -0.558) 6.640 12.003 ( 2.135 -1.067 0.261) 2.401 12.078 ( -2.316 -0.025 -2.051) 3.094 12.543 ( 0.343 5.505 0.386) 5.529 12.652 ( -0.369 5.614 -1.244) 5.762 12.820 ( 0.497 1.187 0.322) 1.327 12.831 ( -0.662 1.381 0.236) 1.549 ======================= Grid point 157 (73/192) ======================= q-point: (-0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -10.711 16.750 -2.728) 20.068 3.066 ( -11.429 8.279 -3.294) 14.492 3.403 ( 4.607 6.240 1.060) 7.829 3.472 ( -3.059 4.049 4.331) 6.672 3.543 ( -3.684 1.144 -0.991) 3.982 3.786 ( 7.788 1.919 -8.781) 11.893 3.946 ( 0.063 16.503 8.065) 18.369 4.127 ( 1.849 14.806 1.312) 14.979 4.409 ( -1.184 -1.260 6.704) 6.924 4.886 ( 0.140 -8.900 -1.622) 9.048 5.369 ( 0.274 4.394 -0.424) 4.423 5.496 ( 6.314 3.635 0.743) 7.323 5.978 ( 2.033 6.042 -8.404) 10.548 6.140 ( -2.199 5.224 -2.728) 6.291 6.194 ( 0.574 -0.296 -0.959) 1.156 6.520 ( 0.398 8.788 -3.203) 9.362 6.695 ( 8.396 0.053 -1.646) 8.556 6.779 ( -6.716 -4.056 -6.587) 10.244 6.893 ( -0.226 -3.652 2.045) 4.191 7.140 ( -7.071 -1.668 -4.641) 8.621 7.314 ( -1.139 1.204 -2.411) 2.926 7.357 ( -5.679 3.544 5.508) 8.669 7.594 ( 2.121 5.031 1.294) 5.611 7.776 ( -4.502 -0.431 6.114) 7.605 7.919 ( 1.925 1.447 0.164) 2.414 7.940 ( 8.018 5.022 -0.755) 9.491 8.455 ( -0.751 4.683 4.403) 6.472 8.573 ( -11.634 -2.981 -2.531) 12.274 8.756 ( 1.001 -3.540 4.404) 5.739 9.000 ( 4.158 6.092 0.246) 7.380 9.170 ( -5.365 -3.885 0.591) 6.650 9.348 ( 7.549 -9.025 1.734) 11.893 10.190 ( 0.071 1.977 3.111) 3.687 10.500 ( 2.352 4.179 -2.580) 5.446 10.681 ( -1.964 2.572 2.786) 4.270 10.984 ( 1.974 5.474 0.207) 5.823 11.069 ( 1.067 -3.732 1.605) 4.201 11.174 ( 2.276 2.201 -0.237) 3.175 11.494 ( -6.989 -1.295 -0.531) 7.127 11.745 ( 2.716 1.373 -0.685) 3.120 11.888 ( -3.398 -6.533 0.395) 7.374 11.987 ( 0.851 -6.065 -1.494) 6.304 12.035 ( 2.311 -0.895 -0.722) 2.581 12.092 ( 4.574 -1.177 -1.563) 4.975 12.550 ( -0.376 5.599 0.813) 5.670 12.611 ( -2.273 5.200 -1.616) 5.901 12.809 ( -1.562 0.553 -0.148) 1.663 12.833 ( 0.199 1.510 0.718) 1.684 ======================= Grid point 158 (74/192) ======================= q-point: (-0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -11.184 21.568 -1.253) 24.328 2.784 ( -15.803 13.493 -1.947) 20.871 3.384 ( -0.953 5.611 -4.018) 6.967 3.452 ( -3.933 3.419 1.012) 5.309 3.571 ( 1.246 6.813 9.690) 11.911 3.809 ( 3.942 1.637 -8.276) 9.312 4.080 ( 6.001 14.143 3.099) 15.673 4.135 ( -2.734 26.072 1.835) 26.279 4.441 ( -1.871 -10.269 6.157) 12.119 4.881 ( 1.882 -10.324 -3.373) 11.023 5.368 ( 0.554 4.105 -0.624) 4.189 5.620 ( 6.583 3.792 -0.073) 7.597 5.927 ( 1.098 8.732 -7.046) 11.274 5.998 ( -9.218 4.777 -2.471) 10.672 6.257 ( 3.454 -2.968 0.235) 4.560 6.421 ( -4.381 7.324 -8.676) 12.170 6.646 ( 0.960 -2.885 -3.385) 4.550 6.768 ( 3.277 -4.772 -2.768) 6.416 6.888 ( -4.547 0.836 3.807) 5.989 7.173 ( 9.446 2.425 1.346) 9.845 7.265 ( -1.868 0.434 -0.040) 1.919 7.314 ( -4.834 2.289 6.299) 8.264 7.656 ( 3.459 0.601 1.140) 3.692 7.751 ( -2.397 -0.340 1.336) 2.765 7.944 ( -0.426 4.313 -0.090) 4.335 8.104 ( 7.616 3.186 5.356) 9.841 8.346 ( -8.581 1.449 -0.779) 8.737 8.443 ( -4.252 4.034 0.785) 5.914 8.736 ( -5.108 -1.644 0.900) 5.442 8.916 ( -9.585 -2.795 -4.795) 11.076 9.254 ( 6.917 -1.620 4.305) 8.307 9.459 ( 4.689 -4.319 0.442) 6.390 10.233 ( 1.358 -1.275 2.801) 3.364 10.517 ( 0.971 4.948 -0.930) 5.128 10.671 ( -0.118 0.079 -0.026) 0.145 11.003 ( -0.340 3.715 -1.951) 4.210 11.104 ( 0.260 -6.038 4.488) 7.528 11.196 ( 0.620 1.617 -3.585) 3.982 11.405 ( -1.519 1.179 0.498) 1.987 11.763 ( -0.121 2.505 1.271) 2.812 11.847 ( -1.157 -3.867 0.432) 4.060 11.994 ( 1.966 -5.286 -2.425) 6.139 12.086 ( 3.727 -5.575 -2.680) 7.222 12.172 ( 4.564 0.884 1.885) 5.017 12.517 ( -3.395 3.514 -1.320) 5.061 12.571 ( -1.140 6.528 0.822) 6.678 12.778 ( -1.525 -0.624 -0.073) 1.649 12.837 ( -0.528 1.783 0.630) 1.964 ======================= Grid point 159 (75/192) ======================= q-point: (-0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -9.292 26.966 1.776) 28.577 2.494 ( -14.699 21.104 0.484) 25.723 3.318 ( -1.296 4.984 -5.040) 7.206 3.425 ( -0.385 9.820 1.955) 10.020 3.688 ( 0.013 9.818 7.010) 12.064 3.774 ( 2.023 -0.165 -6.903) 7.195 4.037 ( -5.594 35.550 0.124) 35.987 4.214 ( 2.671 14.384 3.802) 15.115 4.470 ( -0.505 -17.941 4.521) 18.509 4.890 ( 3.801 -11.795 -4.514) 13.189 5.373 ( 0.453 1.534 -1.041) 1.909 5.707 ( 2.421 5.905 -3.913) 7.486 5.800 ( -8.311 2.567 1.032) 8.759 5.895 ( -0.465 8.131 -2.751) 8.597 6.154 ( -7.506 -2.253 -1.906) 8.066 6.440 ( 9.911 0.687 -5.723) 11.466 6.658 ( 1.717 -0.822 -1.190) 2.245 6.854 ( 7.945 -3.397 0.398) 8.650 6.868 ( -1.448 4.027 2.098) 4.766 7.212 ( -1.216 -2.637 1.650) 3.340 7.266 ( -4.497 2.642 7.052) 8.772 7.397 ( 5.599 7.490 1.646) 9.495 7.640 ( -4.665 -3.506 -0.842) 5.896 7.814 ( 7.047 0.274 -3.719) 7.973 7.904 ( -2.262 2.695 2.167) 4.132 8.167 ( -4.784 6.405 -2.647) 8.422 8.326 ( -7.358 6.526 3.211) 10.346 8.386 ( 7.670 -3.032 7.874) 11.403 8.646 ( -6.627 1.299 0.305) 6.760 8.698 ( -5.913 -2.250 -2.932) 6.974 9.289 ( -3.587 -6.012 -3.627) 7.884 9.573 ( 4.872 3.818 2.811) 6.798 10.286 ( 1.976 -6.015 1.605) 6.531 10.505 ( -1.288 1.932 -0.809) 2.459 10.689 ( 2.854 -3.707 -1.637) 4.956 10.946 ( -2.318 3.403 -2.857) 5.012 11.134 ( -1.658 -5.260 0.047) 5.516 11.177 ( 1.172 -0.805 2.654) 3.011 11.404 ( 1.173 1.934 -3.172) 3.896 11.807 ( 1.676 3.323 4.632) 5.942 11.848 ( 0.789 -1.409 0.445) 1.676 12.008 ( 2.347 -4.699 -2.817) 5.960 12.095 ( 1.186 -5.718 -4.091) 7.131 12.289 ( 4.481 -0.433 3.457) 5.676 12.439 ( -3.343 2.150 -0.574) 4.016 12.562 ( -0.947 6.971 0.771) 7.077 12.757 ( -0.955 -1.643 0.148) 1.906 12.824 ( -1.329 1.927 0.133) 2.345 ======================= Grid point 160 (76/192) ======================= q-point: (-0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -6.183 29.534 4.469) 30.503 2.296 ( -8.523 29.460 3.673) 30.887 3.264 ( 0.955 7.400 -4.982) 8.972 3.449 ( 0.147 11.912 2.731) 12.222 3.611 ( -2.195 11.820 -11.878) 16.900 3.810 ( -1.118 10.410 5.081) 11.638 3.987 ( -2.424 26.904 6.011) 27.673 4.264 ( 0.396 16.450 1.367) 16.511 4.515 ( 0.994 -19.611 3.812) 20.003 4.945 ( 6.140 -14.996 -3.014) 16.482 5.365 ( 0.896 1.121 -1.924) 2.400 5.544 ( -10.945 5.447 -1.251) 12.290 5.789 ( 1.018 1.515 -1.743) 2.524 5.860 ( -2.801 3.574 3.572) 5.777 6.088 ( 1.896 2.048 -2.584) 3.804 6.548 ( 7.885 -1.028 -6.721) 10.412 6.695 ( 3.931 3.061 -1.689) 5.261 6.837 ( -4.215 2.752 5.557) 7.498 7.058 ( 12.105 -4.747 -1.109) 13.049 7.221 ( -6.432 0.382 12.042) 13.658 7.278 ( 1.419 -2.419 1.536) 3.197 7.443 ( -1.119 6.595 1.072) 6.775 7.516 ( -8.274 1.390 -5.228) 9.885 7.753 ( 2.137 -0.371 -4.589) 5.076 7.962 ( -1.879 10.571 -1.665) 10.865 8.124 ( 3.321 -0.709 -0.507) 3.434 8.221 ( -4.441 4.263 3.602) 7.132 8.450 ( -5.918 1.744 -0.143) 6.172 8.562 ( -2.686 -6.667 1.295) 7.304 8.808 ( 11.716 4.232 9.465) 15.645 9.098 ( -10.650 -1.858 -6.876) 12.813 9.639 ( 0.338 4.682 1.382) 4.894 10.326 ( 0.827 -6.597 0.364) 6.659 10.475 ( -0.502 -6.987 -0.723) 7.042 10.726 ( 3.075 -6.791 -2.776) 7.955 10.888 ( -1.094 5.276 -2.127) 5.793 11.109 ( -0.601 -3.693 0.016) 3.742 11.221 ( 0.375 2.237 0.142) 2.272 11.399 ( 1.887 -3.790 -0.774) 4.304 11.840 ( -0.829 -0.650 0.676) 1.251 11.901 ( 2.098 6.084 0.785) 6.483 12.021 ( 1.773 -4.732 -2.121) 5.480 12.080 ( 1.110 -5.703 -0.672) 5.849 12.351 ( 0.117 0.859 0.444) 0.974 12.412 ( -0.761 -0.923 1.588) 1.988 12.557 ( 0.120 6.760 -0.092) 6.762 12.744 ( -0.627 -2.245 0.253) 2.345 12.797 ( -1.265 1.811 -0.268) 2.225 ======================= Grid point 161 (77/192) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -0.801 24.337 5.052) 24.868 2.900 ( -1.122 29.146 3.702) 29.401 3.368 ( 2.436 -1.057 0.549) 2.712 3.594 ( 0.445 8.828 -9.764) 13.171 3.655 ( -1.005 9.542 -4.357) 10.537 3.849 ( -0.160 -5.232 1.224) 5.376 4.086 ( -0.887 -24.020 6.545) 24.912 4.433 ( -0.999 -18.315 -1.092) 18.374 4.730 ( 0.288 32.683 3.684) 32.891 4.871 ( -0.030 18.783 0.350) 18.786 5.385 ( -0.855 -2.663 1.364) 3.112 5.518 ( 2.265 4.068 -2.705) 5.385 5.704 ( -1.032 -6.161 -1.765) 6.492 5.802 ( -0.200 -7.989 2.902) 8.502 6.226 ( 3.335 6.485 -3.090) 7.920 6.513 ( 4.441 -6.431 -4.472) 9.004 6.832 ( 3.768 2.761 -3.021) 5.563 6.916 ( -4.827 4.236 7.269) 9.700 7.089 ( 5.395 -4.643 -0.202) 7.121 7.139 ( -7.481 -3.317 7.543) 11.129 7.336 ( 2.411 4.052 -0.002) 4.715 7.368 ( -8.593 4.567 -1.486) 9.844 7.653 ( 5.774 8.485 4.037) 11.029 7.934 ( 3.755 -0.658 -0.758) 3.887 8.012 ( -4.471 11.217 -1.742) 12.200 8.140 ( 0.839 5.744 -4.174) 7.150 8.306 ( -6.178 -3.733 -4.326) 8.415 8.381 ( -4.802 -2.302 -1.348) 5.493 8.478 ( 7.442 4.294 4.490) 9.694 8.795 ( -5.382 -7.652 -1.952) 9.557 9.097 ( 5.410 2.208 6.354) 8.632 9.672 ( -1.610 -9.422 -3.433) 10.157 10.162 ( -0.047 1.503 4.249) 4.507 10.487 ( 1.354 5.074 -0.915) 5.331 10.549 ( 0.714 -7.796 -0.517) 7.846 10.899 ( -0.272 -2.702 -4.086) 4.906 11.078 ( -0.625 2.099 -2.228) 3.125 11.251 ( -1.223 -1.112 -1.883) 2.505 11.424 ( 4.019 3.212 4.929) 7.125 11.716 ( -2.616 -5.708 -2.025) 6.597 11.956 ( -2.973 0.918 -1.358) 3.395 11.975 ( 2.753 -2.201 2.281) 4.198 12.101 ( 3.118 -0.165 1.335) 3.396 12.292 ( -1.851 -5.711 -1.936) 6.308 12.454 ( 0.086 5.244 1.931) 5.588 12.661 ( -0.189 0.664 -0.980) 1.199 12.684 ( -0.304 0.641 0.499) 0.867 12.797 ( -0.033 -0.308 -0.917) 0.967 ======================= Grid point 162 (78/192) ======================= q-point: ( 0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 2.432 21.762 6.408) 22.816 2.941 ( 1.018 24.406 5.502) 25.040 3.407 ( 2.116 0.365 -3.326) 3.959 3.507 ( 0.913 15.738 -9.302) 18.304 3.603 ( -1.117 7.531 -0.559) 7.634 3.853 ( 0.106 -6.658 -0.978) 6.730 4.117 ( -2.891 -23.338 6.441) 24.382 4.356 ( -4.875 -14.259 -2.235) 15.234 4.784 ( 0.799 29.326 4.101) 29.622 4.868 ( -0.335 13.591 -0.164) 13.596 5.377 ( -0.374 -0.013 1.020) 1.086 5.603 ( 3.311 -6.640 -3.166) 8.067 5.722 ( 9.038 0.188 -0.864) 9.081 5.852 ( 3.340 -4.428 2.517) 6.091 6.253 ( 2.211 6.206 -1.954) 6.872 6.539 ( 1.877 -6.388 -2.852) 7.243 6.838 ( 0.327 0.496 -3.106) 3.162 6.913 ( -4.379 2.264 9.728) 10.906 7.004 ( -3.631 -0.154 -7.135) 8.007 7.165 ( -3.976 -0.356 4.747) 6.202 7.260 ( -3.778 6.766 8.376) 11.411 7.407 ( 3.596 4.069 1.228) 5.568 7.788 ( -6.345 3.355 -3.290) 7.895 7.832 ( 2.586 8.276 0.025) 8.671 7.956 ( -5.749 -2.496 -1.034) 6.352 8.127 ( -3.717 -1.715 -9.351) 10.208 8.212 ( 7.716 0.881 3.312) 8.443 8.374 ( 5.673 2.945 -0.132) 6.393 8.629 ( 0.591 2.615 1.446) 3.046 8.720 ( 3.538 3.014 0.365) 4.662 9.237 ( 1.949 -4.942 6.561) 8.442 9.547 ( -6.791 -9.026 -6.059) 12.818 10.212 ( 0.535 1.318 3.880) 4.133 10.506 ( 2.088 -4.416 -2.653) 5.559 10.611 ( 4.638 3.576 2.101) 6.223 10.861 ( 1.187 -3.338 -5.975) 6.946 11.017 ( -2.505 3.562 -1.049) 4.480 11.234 ( 0.796 -0.765 -1.304) 1.709 11.552 ( 3.209 -0.336 5.593) 6.457 11.653 ( -1.637 -3.915 -2.748) 5.055 11.854 ( -5.122 2.715 -1.321) 5.946 12.019 ( -0.605 -2.242 1.420) 2.722 12.168 ( -0.304 -2.870 2.230) 3.647 12.220 ( -1.142 -4.362 -2.407) 5.111 12.492 ( 1.769 4.736 2.306) 5.557 12.645 ( 0.606 4.235 -2.108) 4.769 12.699 ( 0.741 -1.857 1.260) 2.363 12.797 ( 1.123 -0.657 -1.268) 1.817 ======================= Grid point 163 (79/192) ======================= q-point: ( 0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 4.406 17.216 7.545) 19.306 3.047 ( 4.250 16.708 6.283) 18.349 3.371 ( 1.189 9.967 -7.040) 12.260 3.476 ( 4.023 13.513 -6.607) 15.571 3.601 ( -1.532 1.836 2.969) 3.812 3.821 ( -1.367 -4.707 -3.615) 6.090 4.106 ( -4.315 -19.979 4.988) 21.040 4.255 ( -3.605 -10.700 -0.973) 11.333 4.818 ( -1.136 24.978 2.647) 25.143 4.852 ( -0.717 10.787 -0.957) 10.853 5.381 ( -0.049 -0.534 -0.159) 0.559 5.552 ( -3.417 -10.391 -2.788) 11.288 5.962 ( 9.403 2.455 0.485) 9.730 5.986 ( 14.204 0.081 -0.642) 14.219 6.269 ( 0.720 3.994 0.200) 4.063 6.514 ( -1.769 -5.598 -2.376) 6.333 6.784 ( -2.233 4.171 -3.692) 6.001 6.912 ( 2.770 -1.709 -9.371) 9.920 6.950 ( -2.276 -0.627 10.231) 10.500 7.144 ( -1.706 0.737 4.736) 5.087 7.289 ( -5.093 4.936 9.111) 11.547 7.384 ( -7.054 7.596 -1.505) 10.475 7.662 ( -1.278 2.576 2.619) 3.889 7.811 ( -4.289 -3.338 2.231) 5.874 7.935 ( 2.425 2.286 -4.091) 5.276 8.029 ( 3.324 -1.730 -4.317) 5.716 8.379 ( 3.940 10.605 0.609) 11.330 8.485 ( 3.603 6.441 -0.783) 7.421 8.605 ( 3.382 -2.629 0.656) 4.334 8.892 ( 8.730 -0.239 3.475) 9.400 9.255 ( -6.242 -4.321 -1.413) 7.723 9.349 ( -6.726 -11.237 -1.800) 13.220 10.250 ( 0.291 4.388 2.712) 5.167 10.527 ( 2.786 -4.345 -1.949) 5.517 10.687 ( 1.634 8.358 -0.134) 8.517 10.797 ( 0.256 -0.049 -7.302) 7.306 11.061 ( 5.323 -1.278 3.520) 6.509 11.234 ( 0.238 -4.946 -1.399) 5.146 11.531 ( -4.845 3.059 -2.370) 6.200 11.667 ( 0.143 -3.082 3.278) 4.502 11.811 ( 1.231 1.511 1.289) 2.337 11.983 ( -3.562 -3.994 -0.110) 5.353 12.098 ( -3.480 -1.085 -3.293) 4.912 12.220 ( -2.571 -5.046 2.208) 6.078 12.568 ( 4.224 4.027 2.012) 6.173 12.647 ( 1.446 5.401 -1.727) 5.852 12.735 ( 1.880 -1.575 1.548) 2.900 12.807 ( 1.162 -0.746 -1.204) 1.832 ======================= Grid point 164 (80/192) ======================= q-point: ( 0.30 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 5.100 12.312 7.959) 15.522 3.198 ( 5.750 9.053 5.243) 11.938 3.353 ( 3.683 11.840 -5.922) 13.741 3.481 ( 0.908 8.799 -5.521) 10.427 3.604 ( -0.026 0.293 3.640) 3.652 3.746 ( -0.935 0.805 -5.690) 5.823 4.064 ( -4.667 -14.916 3.505) 16.017 4.216 ( -1.735 -8.332 1.642) 8.667 4.778 ( -4.201 17.567 0.505) 18.069 4.841 ( 0.181 15.041 -0.645) 15.056 5.370 ( -0.262 -1.699 -1.015) 1.996 5.447 ( -5.041 -10.419 -2.679) 11.880 6.084 ( 5.755 4.155 -2.274) 7.454 6.209 ( 7.167 3.066 0.387) 7.804 6.282 ( -0.916 -1.085 1.425) 2.012 6.464 ( 1.604 -5.912 -3.912) 7.269 6.713 ( 1.103 4.432 -9.059) 10.145 6.854 ( 0.342 -3.408 -10.118) 10.682 7.037 ( -0.288 2.957 10.770) 11.172 7.207 ( 0.006 -0.231 10.056) 10.059 7.255 ( -0.532 1.560 3.139) 3.546 7.312 ( -2.022 3.471 4.765) 6.232 7.677 ( 0.726 7.219 -2.249) 7.596 7.779 ( -2.314 4.896 3.066) 6.223 7.957 ( 2.254 -2.970 1.690) 4.094 8.117 ( 2.686 -2.020 0.831) 3.462 8.346 ( 1.180 9.216 -3.473) 9.919 8.552 ( 4.224 6.368 1.496) 7.787 8.668 ( -3.329 -0.904 -2.719) 4.392 9.029 ( 1.784 -0.214 -0.839) 1.983 9.084 ( -0.411 -10.446 -2.220) 10.687 9.267 ( -6.028 -7.677 2.548) 10.088 10.279 ( 0.198 7.901 2.359) 8.248 10.554 ( 1.887 0.108 -2.417) 3.068 10.672 ( -1.392 3.036 0.672) 3.407 10.806 ( 6.230 5.527 -3.988) 9.234 11.156 ( 0.253 -2.525 -1.914) 3.179 11.231 ( 1.018 -6.694 2.142) 7.102 11.464 ( 0.542 6.074 -0.027) 6.098 11.671 ( -1.723 -3.880 1.950) 4.671 11.867 ( 0.521 1.196 1.838) 2.254 11.908 ( -3.096 -4.305 -1.618) 5.544 12.016 ( -1.087 -2.223 -2.950) 3.851 12.153 ( -5.985 -6.626 0.680) 8.955 12.656 ( 1.067 6.042 -1.089) 6.231 12.667 ( 4.439 3.741 1.181) 5.924 12.791 ( 2.346 -0.758 1.353) 2.812 12.815 ( 0.782 -0.600 -0.423) 1.073 ======================= Grid point 165 (81/192) ======================= q-point: ( 0.40 0.40 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 1.466 3.543 5.072) 6.358 3.318 ( 2.927 15.064 1.009) 15.379 3.373 ( 3.189 1.857 -2.445) 4.427 3.412 ( -0.098 5.936 -2.611) 6.486 3.658 ( -1.074 -1.206 3.228) 3.610 3.715 ( 5.576 7.296 -6.482) 11.239 4.017 ( -3.853 -10.810 3.497) 11.997 4.198 ( -2.644 -4.562 2.059) 5.660 4.712 ( -3.019 16.609 0.825) 16.901 4.843 ( 0.505 13.449 -0.109) 13.459 5.338 ( -3.697 -9.333 -1.723) 10.185 5.366 ( 0.679 -2.870 -0.335) 2.968 6.120 ( 1.949 3.842 -3.948) 5.843 6.246 ( -2.827 -0.175 -0.024) 2.832 6.278 ( 1.342 3.702 1.111) 4.092 6.495 ( 3.307 -7.104 -2.466) 8.215 6.646 ( 3.159 3.067 -11.715) 12.515 6.782 ( 0.812 -2.661 -4.385) 5.193 7.074 ( -2.858 2.796 1.369) 4.227 7.235 ( -3.251 -1.018 4.076) 5.312 7.391 ( 6.197 -1.090 5.440) 8.318 7.418 ( 5.350 0.251 7.211) 8.982 7.690 ( 4.293 9.157 -0.574) 10.129 7.753 ( -4.702 11.966 1.263) 12.919 7.943 ( -4.586 1.021 -3.261) 5.719 8.129 ( 0.948 -1.784 5.775) 6.118 8.413 ( -12.399 1.920 -6.006) 13.910 8.472 ( 8.467 4.459 0.988) 9.620 8.689 ( 7.316 -0.035 4.911) 8.812 8.997 ( -6.406 -13.082 -2.480) 14.776 9.105 ( 1.797 -2.603 0.972) 3.310 9.208 ( -1.609 -0.722 0.535) 1.844 10.302 ( -0.369 9.718 2.591) 10.064 10.557 ( 1.762 4.020 -2.444) 5.024 10.674 ( -1.258 -0.856 3.557) 3.869 10.912 ( 8.199 7.124 -2.269) 11.096 11.100 ( -2.271 -2.514 -1.679) 3.781 11.244 ( -2.061 1.574 0.915) 2.750 11.535 ( 4.556 1.594 1.273) 4.992 11.652 ( -1.801 -5.777 0.249) 6.056 11.808 ( -2.736 -3.929 -0.788) 4.852 11.892 ( -0.226 -0.437 -0.512) 0.710 12.011 ( 1.946 -2.047 -2.105) 3.523 12.037 ( -6.231 -9.268 -0.197) 11.169 12.665 ( 0.820 6.321 -0.617) 6.404 12.738 ( 2.500 3.815 0.166) 4.564 12.818 ( 0.603 -0.411 -0.402) 0.833 12.841 ( 0.795 -0.078 1.296) 1.523 ======================= Grid point 166 (82/192) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -5.133 8.721 -3.492) 10.705 3.339 ( -2.287 2.914 -3.158) 4.867 3.437 ( 3.592 9.030 4.256) 10.609 3.480 ( 3.023 1.856 2.915) 4.591 3.611 ( -3.935 -0.757 -2.165) 4.555 3.777 ( 5.637 5.554 -4.253) 8.984 4.005 ( -2.148 -9.233 4.826) 10.638 4.169 ( -1.957 -2.047 1.678) 3.292 4.697 ( -0.132 16.559 2.001) 16.680 4.854 ( 0.426 12.661 0.205) 12.670 5.309 ( 1.443 -8.398 0.137) 8.522 5.393 ( 1.718 -4.077 1.499) 4.671 6.101 ( 1.958 3.848 -6.082) 7.459 6.199 ( -1.014 -0.218 -1.890) 2.156 6.299 ( -0.749 4.545 1.442) 4.827 6.519 ( 1.781 -6.292 -1.658) 6.746 6.625 ( 6.310 3.313 -8.574) 11.149 6.801 ( 3.166 -2.185 -0.131) 3.849 6.970 ( -6.168 1.125 -5.903) 8.612 7.183 ( -3.297 -6.125 -3.161) 7.641 7.447 ( -3.039 1.608 6.009) 6.924 7.543 ( -8.506 -1.313 2.605) 8.992 7.658 ( 3.395 14.915 0.276) 15.299 7.801 ( 2.798 6.418 4.327) 8.230 7.910 ( 2.794 4.849 0.515) 5.620 8.015 ( -8.195 1.589 -7.006) 10.898 8.427 ( 9.551 -2.283 8.013) 12.674 8.593 ( 2.054 8.080 4.768) 9.604 8.765 ( -11.656 -6.304 -1.748) 13.367 8.921 ( 8.407 -11.668 4.443) 15.052 9.136 ( 0.291 -0.969 -0.651) 1.203 9.172 ( -2.032 0.243 -1.769) 2.705 10.311 ( -1.608 9.647 2.693) 10.144 10.581 ( 2.951 5.179 -1.579) 6.166 10.688 ( -1.823 -0.577 5.012) 5.364 11.029 ( 5.533 0.352 -1.662) 5.788 11.056 ( -1.386 5.479 -0.090) 5.652 11.198 ( -2.334 2.454 0.058) 3.387 11.570 ( -3.783 -2.997 -0.714) 4.878 11.643 ( 3.487 -3.129 0.458) 4.708 11.790 ( -0.633 -5.239 -0.121) 5.278 11.876 ( 0.071 -1.108 -1.690) 2.022 11.962 ( -0.139 -8.817 -0.721) 8.847 12.023 ( 1.075 -2.313 -1.715) 3.074 12.675 ( 0.542 6.525 0.172) 6.550 12.753 ( -0.463 4.206 -1.050) 4.360 12.827 ( 0.465 -0.674 0.403) 0.913 12.847 ( -1.042 -0.044 0.313) 1.089 ======================= Grid point 167 (83/192) ======================= q-point: (-0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -6.098 12.604 -2.531) 14.229 3.232 ( -7.214 6.856 -1.197) 10.024 3.483 ( -0.451 1.912 -3.818) 4.294 3.511 ( -1.715 0.434 0.254) 1.787 3.585 ( 3.240 5.562 4.893) 8.085 3.829 ( 3.915 3.482 -3.129) 6.102 4.018 ( -1.820 -10.370 4.645) 11.507 4.175 ( 0.954 -4.200 1.762) 4.654 4.735 ( 1.595 17.065 2.081) 17.265 4.858 ( 0.063 14.967 -0.391) 14.972 5.352 ( 1.486 -6.939 0.541) 7.117 5.461 ( 4.104 -6.782 1.732) 8.114 6.091 ( 3.681 4.647 -6.705) 8.950 6.176 ( 1.327 -0.127 -2.832) 3.130 6.267 ( -3.578 5.880 -0.847) 6.935 6.532 ( 1.453 -6.876 -1.528) 7.192 6.680 ( 3.585 -0.666 -5.112) 6.279 6.741 ( -7.738 -1.214 -11.065) 13.556 6.902 ( 5.206 4.096 5.254) 8.454 7.093 ( 0.063 -3.988 -3.611) 5.380 7.383 ( -8.023 6.830 1.836) 10.695 7.436 ( -5.750 3.680 7.528) 10.163 7.645 ( -3.871 2.313 -1.359) 4.710 7.804 ( -3.828 -0.409 2.425) 4.550 7.966 ( 2.678 4.246 0.763) 5.078 8.029 ( 8.522 4.580 -0.999) 9.726 8.527 ( -9.480 -0.519 0.200) 9.497 8.623 ( 0.209 6.219 2.942) 6.883 8.707 ( 3.923 0.838 6.842) 7.931 9.060 ( -0.022 -6.732 -1.744) 6.954 9.098 ( 0.044 -6.125 0.923) 6.195 9.153 ( 3.378 -1.601 -0.185) 3.743 10.297 ( -2.526 8.036 2.192) 8.704 10.617 ( 1.324 1.463 -0.405) 2.015 10.708 ( -0.782 5.007 4.135) 6.540 11.000 ( -3.506 1.780 2.512) 4.666 11.106 ( 2.354 2.399 -3.352) 4.747 11.188 ( 1.448 -2.118 0.057) 2.567 11.469 ( -4.471 -0.055 -1.150) 4.617 11.697 ( -0.518 -8.371 2.132) 8.654 11.789 ( 2.730 1.193 -1.676) 3.418 11.878 ( 1.423 -1.904 -1.301) 2.710 11.971 ( 1.722 -6.395 -2.503) 7.080 12.052 ( 4.049 -3.732 -0.590) 5.538 12.675 ( -1.715 5.767 -0.239) 6.021 12.717 ( -1.286 5.130 -0.571) 5.320 12.808 ( -2.664 -0.851 -0.188) 2.803 12.845 ( 0.298 -0.509 0.930) 1.101 ======================= Grid point 168 (84/192) ======================= q-point: (-0.30 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -5.742 17.838 -0.024) 18.739 3.069 ( -8.917 14.105 -0.705) 16.702 3.414 ( -2.054 -1.133 -2.031) 3.103 3.534 ( 3.200 3.401 -1.526) 4.913 3.676 ( 1.660 4.569 4.752) 6.798 3.850 ( 1.607 2.233 -2.971) 4.049 4.023 ( -2.022 -14.685 3.415) 15.212 4.238 ( 3.611 -8.073 2.181) 9.109 4.773 ( 0.126 20.667 1.353) 20.712 4.849 ( 0.085 16.544 -1.317) 16.597 5.362 ( -0.014 -5.299 -0.324) 5.309 5.562 ( 5.267 -9.427 0.853) 10.832 6.067 ( -3.419 4.371 -4.641) 7.234 6.128 ( -4.231 8.482 -5.104) 10.766 6.210 ( 1.424 -2.144 -1.724) 3.097 6.437 ( -6.380 -5.856 -7.458) 11.429 6.616 ( 2.562 0.186 -1.915) 3.204 6.665 ( 3.452 -4.130 -3.896) 6.645 7.026 ( 0.360 9.635 3.508) 10.260 7.173 ( 4.172 -1.279 1.143) 4.511 7.326 ( 2.734 5.277 3.692) 6.997 7.395 ( -4.756 6.300 6.990) 10.544 7.648 ( 4.772 -3.812 0.029) 6.107 7.704 ( -7.942 -3.556 1.131) 8.775 8.005 ( 0.325 3.911 -0.456) 3.951 8.149 ( 4.420 0.666 2.460) 5.102 8.442 ( -1.461 9.177 1.183) 9.368 8.614 ( -4.706 7.563 2.564) 9.270 8.659 ( -8.376 -3.362 -1.530) 9.154 8.939 ( -7.111 0.782 -3.950) 8.172 9.183 ( 2.136 -3.927 -0.109) 4.472 9.290 ( 10.782 -11.522 3.803) 16.232 10.264 ( -3.028 5.578 1.510) 6.524 10.607 ( -2.058 -5.176 0.645) 5.607 10.724 ( -0.793 12.123 -0.229) 12.151 10.998 ( -1.013 -1.394 5.537) 5.799 11.045 ( -3.373 -0.250 -3.636) 4.966 11.206 ( 0.731 -2.100 -2.411) 3.280 11.450 ( 2.290 3.043 0.062) 3.809 11.701 ( -0.812 -8.268 2.907) 8.802 11.802 ( 0.322 1.884 -0.939) 2.130 11.900 ( 2.349 -3.263 -1.815) 4.411 12.002 ( 4.466 -3.175 -3.064) 6.278 12.134 ( 4.882 -4.640 0.021) 6.735 12.601 ( -4.461 4.611 -1.219) 6.530 12.711 ( -0.454 6.457 0.841) 6.527 12.753 ( -3.051 -1.980 0.089) 3.638 12.854 ( -0.449 -0.377 0.949) 1.116 ======================= Grid point 169 (85/192) ======================= q-point: (-0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -6.217 21.707 2.056) 22.673 2.935 ( -5.028 22.190 1.193) 22.784 3.365 ( -1.094 -0.522 -2.332) 2.628 3.588 ( 4.112 5.325 -1.696) 6.939 3.746 ( 1.288 0.869 3.592) 3.914 3.830 ( -0.130 3.268 -3.546) 4.824 4.017 ( -1.688 -19.335 3.163) 19.665 4.330 ( 4.404 -12.938 1.317) 13.730 4.757 ( -2.698 27.993 0.956) 28.139 4.846 ( 0.934 17.202 -1.047) 17.259 5.358 ( -0.015 -4.357 -0.098) 4.358 5.659 ( 4.926 -10.471 -0.136) 11.572 5.861 ( -11.295 3.581 -2.895) 12.198 5.983 ( -10.411 -0.269 -2.191) 10.643 6.181 ( 1.396 4.952 -3.439) 6.189 6.402 ( 7.192 -4.034 -6.356) 10.411 6.664 ( 4.909 0.776 -1.249) 5.124 6.771 ( 7.917 -3.887 1.181) 8.899 7.009 ( -2.572 8.671 -0.733) 9.074 7.171 ( -3.244 -0.816 4.498) 5.606 7.335 ( -4.399 2.869 5.142) 7.350 7.518 ( -6.642 -4.126 0.941) 7.876 7.609 ( 12.539 7.920 0.277) 14.834 7.843 ( 9.435 1.032 2.265) 9.757 7.965 ( -3.226 6.234 1.471) 7.172 8.250 ( 2.350 -0.765 2.861) 3.780 8.335 ( -9.171 1.316 -1.112) 9.331 8.482 ( -9.090 3.782 -0.597) 9.863 8.611 ( 2.125 1.514 1.178) 2.863 8.780 ( -5.926 2.729 -1.431) 6.679 9.155 ( -2.844 -4.268 -2.920) 5.902 9.522 ( 9.689 -11.461 2.645) 15.239 10.214 ( -3.915 3.906 1.023) 5.624 10.575 ( -1.735 -7.274 0.369) 7.487 10.644 ( -5.389 8.950 -3.328) 10.965 10.967 ( -1.470 -0.821 -1.173) 2.052 11.063 ( 1.289 -0.080 3.417) 3.653 11.199 ( 1.533 -0.873 -1.080) 2.068 11.451 ( -1.448 4.699 -3.332) 5.940 11.732 ( 0.250 -7.049 3.918) 8.068 11.845 ( 3.974 -0.456 2.477) 4.705 11.918 ( 2.030 -4.143 -3.054) 5.533 12.042 ( 3.241 0.083 -3.542) 4.802 12.223 ( 4.276 -5.576 0.833) 7.076 12.514 ( -3.965 4.984 -0.162) 6.371 12.702 ( -1.283 2.038 -0.330) 2.431 12.711 ( -1.949 1.136 1.320) 2.614 12.844 ( -1.330 -0.220 0.350) 1.393 ======================= Grid point 170 (86/192) ======================= q-point: (-0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -4.506 24.022 3.239) 24.655 2.899 ( -2.206 28.430 2.907) 28.663 3.340 ( 0.488 -0.531 -0.946) 1.190 3.631 ( 2.874 6.740 -3.570) 8.151 3.729 ( -0.689 3.842 -7.298) 8.276 3.831 ( -0.086 -0.824 3.401) 3.500 4.037 ( -0.344 -22.637 4.877) 23.159 4.411 ( 3.356 -17.443 0.163) 17.764 4.720 ( -2.221 32.474 1.868) 32.603 4.859 ( 0.844 19.783 0.154) 19.802 5.365 ( 0.846 -3.307 0.343) 3.431 5.633 ( -9.364 3.148 -2.983) 10.320 5.728 ( 1.373 -8.837 -0.216) 8.945 5.816 ( -5.947 -4.672 1.660) 7.743 6.196 ( 3.609 6.854 -3.895) 8.670 6.470 ( 5.848 -5.683 -5.259) 9.704 6.760 ( 6.692 3.001 -2.216) 7.662 6.918 ( -1.039 2.013 9.616) 9.879 6.975 ( 5.431 -0.771 -5.267) 7.605 7.168 ( -3.955 -4.303 7.624) 9.606 7.319 ( -0.648 3.886 1.034) 4.073 7.440 ( -1.713 -2.294 1.513) 3.238 7.716 ( -9.101 11.866 -3.524) 15.364 7.822 ( 7.011 6.820 -1.639) 9.918 8.114 ( 0.286 6.360 3.577) 7.303 8.178 ( -0.742 4.380 -1.425) 4.666 8.288 ( 0.837 0.433 -1.733) 1.973 8.373 ( -1.307 -2.853 2.897) 4.271 8.561 ( -8.050 1.218 -1.400) 8.261 8.804 ( 3.889 -9.723 5.335) 11.753 9.050 ( -3.572 4.068 -3.459) 6.424 9.665 ( 4.422 -11.130 -0.221) 11.978 10.158 ( -3.069 3.435 2.018) 5.029 10.521 ( -3.794 7.251 -1.628) 8.344 10.558 ( -0.394 -9.295 -1.023) 9.359 10.940 ( -0.595 -1.946 -2.024) 2.870 11.087 ( 0.904 2.426 -1.389) 2.938 11.255 ( 2.566 -6.714 2.045) 7.473 11.376 ( -2.089 9.175 -1.769) 9.575 11.762 ( -1.063 -6.642 1.591) 6.912 11.914 ( 1.739 -3.286 -0.757) 3.794 11.953 ( 3.629 -1.675 1.066) 4.137 12.059 ( 1.958 2.553 -1.943) 3.758 12.293 ( 2.298 -6.014 0.512) 6.459 12.460 ( -2.279 5.138 0.819) 5.680 12.674 ( -1.159 -2.196 -0.047) 2.484 12.695 ( -0.983 3.960 0.332) 4.094 12.817 ( -1.372 -0.117 -0.417) 1.439 ======================= Grid point 171 (87/192) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -1.451 -13.396 1.795) 13.593 3.188 ( -1.451 13.396 1.795) 13.593 3.472 ( 1.461 -23.794 3.431) 24.085 3.472 ( 1.461 23.794 3.431) 24.085 3.780 ( 0.168 -8.066 -1.741) 8.253 3.780 ( 0.168 8.066 -1.741) 8.253 3.987 ( -0.720 -19.964 -2.706) 20.160 3.987 ( -0.720 19.964 -2.706) 20.160 5.185 ( -0.407 -10.719 0.376) 10.734 5.185 ( -0.407 10.719 0.376) 10.734 5.380 ( -0.300 -17.322 -0.280) 17.327 5.380 ( -0.300 17.322 -0.280) 17.327 5.661 ( 0.416 -4.531 1.205) 4.707 5.661 ( 0.416 4.531 1.205) 4.707 6.368 ( 3.931 -7.377 -4.235) 9.371 6.368 ( 3.931 7.377 -4.235) 9.371 6.918 ( 0.670 -4.837 -2.517) 5.494 6.918 ( 0.670 4.837 -2.517) 5.494 7.062 ( -2.265 -3.441 9.687) 10.527 7.062 ( -2.265 3.441 9.687) 10.527 7.392 ( -1.106 -1.979 -0.345) 2.294 7.392 ( -1.106 1.979 -0.345) 2.294 7.849 ( 2.305 -7.637 0.840) 8.021 7.849 ( 2.305 7.637 0.840) 8.021 8.232 ( 0.082 -2.649 -4.683) 5.381 8.232 ( 0.082 2.649 -4.683) 5.381 8.285 ( -9.639 -6.524 -3.699) 12.213 8.285 ( -9.639 6.524 -3.699) 12.213 8.564 ( 6.058 -7.765 5.627) 11.343 8.564 ( 6.058 7.765 5.627) 11.343 9.327 ( 0.441 -17.646 -0.250) 17.654 9.327 ( 0.441 17.646 -0.250) 17.654 10.337 ( -1.271 -10.166 1.217) 10.317 10.337 ( -1.271 10.166 1.217) 10.317 10.720 ( 1.032 -12.950 -1.715) 13.103 10.720 ( 1.032 12.950 -1.715) 13.103 11.165 ( 0.702 -5.097 -1.697) 5.418 11.165 ( 0.702 5.097 -1.697) 5.418 11.574 ( -0.629 -8.251 0.653) 8.300 11.574 ( -0.629 8.251 0.653) 8.300 11.953 ( 0.866 -0.786 1.764) 2.116 11.953 ( 0.866 0.786 1.764) 2.116 12.163 ( -0.163 -5.850 -1.759) 6.111 12.163 ( -0.163 5.850 -1.759) 6.111 12.569 ( -0.229 -5.605 1.722) 5.868 12.569 ( -0.229 5.605 1.722) 5.868 12.763 ( -0.142 -3.049 -1.328) 3.329 12.763 ( -0.142 3.049 -1.328) 3.329 ======================= Grid point 173 (88/192) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -0.458 -8.043 1.880) 8.272 3.187 ( -0.458 8.043 1.880) 8.272 3.541 ( 0.982 -20.236 5.786) 21.070 3.541 ( 0.982 20.236 5.786) 21.070 3.756 ( -0.767 -7.399 -3.128) 8.069 3.756 ( -0.767 7.399 -3.128) 8.069 3.937 ( -0.670 -19.277 -3.598) 19.621 3.937 ( -0.670 19.277 -3.598) 19.621 5.161 ( -1.761 -3.711 -0.542) 4.143 5.161 ( -1.761 3.711 -0.542) 4.143 5.369 ( -1.469 -9.294 0.762) 9.440 5.369 ( -1.469 9.294 0.762) 9.440 5.764 ( 9.600 -3.276 0.756) 10.172 5.764 ( 9.600 3.276 0.756) 10.172 6.393 ( 2.367 -7.445 -3.070) 8.393 6.393 ( 2.367 7.445 -3.070) 8.393 6.880 ( -2.762 -3.406 0.645) 4.432 6.880 ( -2.762 3.406 0.645) 4.432 7.077 ( -3.517 -5.683 2.918) 7.292 7.077 ( -3.517 5.683 2.918) 7.292 7.403 ( 0.530 -4.356 5.562) 7.085 7.403 ( 0.530 4.356 5.562) 7.085 7.882 ( -5.917 -4.626 -3.440) 8.261 7.882 ( -5.917 4.626 -3.440) 8.261 8.008 ( -3.722 -7.383 -3.833) 9.113 8.008 ( -3.722 7.383 -3.833) 9.113 8.340 ( 8.959 -7.538 0.870) 11.741 8.340 ( 8.959 7.538 0.870) 11.741 8.690 ( 3.318 -4.764 1.759) 6.066 8.690 ( 3.318 4.764 1.759) 6.066 9.299 ( -3.222 -10.654 -0.660) 11.150 9.299 ( -3.222 10.654 -0.660) 11.150 10.341 ( 0.552 -8.923 1.315) 9.036 10.341 ( 0.552 8.923 1.315) 9.036 10.755 ( 4.503 -7.191 -1.786) 8.671 10.755 ( 4.503 7.191 -1.786) 8.671 11.142 ( -1.328 -7.023 -2.175) 7.471 11.142 ( -1.328 7.023 -2.175) 7.471 11.580 ( 0.335 -2.799 1.034) 3.003 11.580 ( 0.335 2.799 1.034) 3.003 11.945 ( -3.420 -5.152 1.368) 6.333 11.945 ( -3.420 5.152 1.368) 6.333 12.146 ( 0.115 -1.436 -1.033) 1.773 12.146 ( 0.115 1.436 -1.033) 1.773 12.594 ( 1.111 -4.896 1.794) 5.332 12.594 ( 1.111 4.896 1.794) 5.332 12.758 ( 1.082 -3.291 -1.610) 3.820 12.758 ( 1.082 3.291 -1.610) 3.820 ======================= Grid point 175 (89/192) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 1.128 -3.581 2.838) 4.707 3.215 ( 1.128 3.581 2.838) 4.707 3.614 ( -0.131 -15.400 6.373) 16.667 3.614 ( -0.131 15.400 6.373) 16.667 3.686 ( -1.569 -3.368 -4.960) 6.197 3.686 ( -1.569 3.368 -4.960) 6.197 3.914 ( 1.393 -13.510 -2.669) 13.842 3.914 ( 1.393 13.510 -2.669) 13.842 5.126 ( -1.091 -3.997 -1.229) 4.322 5.126 ( -1.091 3.997 -1.229) 4.322 5.328 ( -3.967 -2.978 0.941) 5.049 5.328 ( -3.967 2.978 0.941) 5.049 5.985 ( 13.163 -0.665 -0.513) 13.190 5.985 ( 13.163 0.665 -0.513) 13.190 6.384 ( -0.686 -6.703 -1.891) 6.999 6.384 ( -0.686 6.703 -1.891) 6.999 6.843 ( -0.527 -3.163 -2.790) 4.250 6.843 ( -0.527 3.163 -2.790) 4.250 7.043 ( -2.209 -6.679 4.185) 8.186 7.043 ( -2.209 6.679 4.185) 8.186 7.433 ( -5.758 -3.926 3.432) 7.768 7.433 ( -5.758 3.926 3.432) 7.768 7.725 ( -3.219 -4.089 4.656) 6.983 7.725 ( -3.219 4.089 4.656) 6.983 7.990 ( 2.281 -2.493 -5.190) 6.193 7.990 ( 2.281 2.493 -5.190) 6.193 8.534 ( 8.084 -4.223 1.891) 9.314 8.534 ( 8.084 4.223 1.891) 9.314 8.732 ( 2.178 -15.188 -1.427) 15.410 8.732 ( 2.178 15.188 -1.427) 15.410 9.201 ( -5.892 -2.191 -1.481) 6.459 9.201 ( -5.892 2.191 -1.481) 6.459 10.382 ( 2.045 -8.000 2.020) 8.501 10.382 ( 2.045 8.000 2.020) 8.501 10.831 ( 5.525 -1.821 -2.613) 6.377 10.831 ( 5.525 1.821 -2.613) 6.377 11.085 ( -1.695 -6.557 -2.219) 7.127 11.085 ( -1.695 6.557 -2.219) 7.127 11.597 ( -0.775 -3.633 2.430) 4.439 11.597 ( -0.775 3.633 2.430) 4.439 11.892 ( -2.002 -4.936 -0.280) 5.334 11.892 ( -2.002 4.936 -0.280) 5.334 12.117 ( -3.244 -3.626 -0.502) 4.891 12.117 ( -3.244 3.626 -0.502) 4.891 12.649 ( 3.207 -3.544 1.574) 5.032 12.649 ( 3.207 3.544 1.574) 5.032 12.767 ( 1.335 -3.103 -1.104) 3.554 12.767 ( 1.335 3.103 -1.104) 3.554 ======================= Grid point 177 (90/192) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 2.455 -1.139 3.615) 4.516 3.281 ( 2.455 1.139 3.615) 4.516 3.569 ( -2.994 -2.311 -3.905) 5.436 3.569 ( -2.994 2.311 -3.905) 5.436 3.710 ( 1.969 -14.219 3.818) 14.853 3.710 ( 1.969 14.219 3.818) 14.853 3.924 ( 1.619 -12.935 -1.434) 13.114 3.924 ( 1.619 12.935 -1.434) 13.114 5.090 ( -1.855 -9.405 -1.369) 9.684 5.090 ( -1.855 9.405 -1.369) 9.684 5.257 ( -3.968 -4.962 0.296) 6.360 5.257 ( -3.968 4.962 0.296) 6.360 6.172 ( 7.250 -4.456 -1.638) 8.667 6.172 ( 7.250 4.456 -1.638) 8.667 6.347 ( -0.740 -5.577 -1.285) 5.771 6.347 ( -0.740 5.577 -1.285) 5.771 6.781 ( 1.088 -3.212 -10.591) 11.120 6.781 ( 1.088 3.212 -10.591) 11.120 7.125 ( 1.587 -4.771 12.090) 13.094 7.125 ( 1.587 4.771 12.090) 13.094 7.326 ( -5.283 -2.750 1.821) 6.228 7.326 ( -5.283 2.750 1.821) 6.228 7.807 ( 2.240 -5.492 5.950) 8.401 7.807 ( 2.240 5.492 5.950) 8.401 7.991 ( 2.437 -8.364 -1.975) 8.933 7.991 ( 2.437 8.364 -1.975) 8.933 8.580 ( -1.789 -6.985 -3.064) 7.834 8.580 ( -1.789 6.985 -3.064) 7.834 8.773 ( 1.760 -13.523 -0.528) 13.647 8.773 ( 1.760 13.523 -0.528) 13.647 9.103 ( -2.122 -7.789 -0.567) 8.093 9.103 ( -2.122 7.789 -0.567) 8.093 10.443 ( 1.944 -8.096 2.562) 8.712 10.443 ( 1.944 8.096 2.562) 8.712 10.864 ( 1.267 -8.908 -3.813) 9.772 10.864 ( 1.267 8.908 -3.813) 9.772 11.089 ( 4.107 -5.148 -0.445) 6.601 11.089 ( 4.107 5.148 -0.445) 6.601 11.592 ( -2.489 -5.412 3.138) 6.733 11.592 ( -2.489 5.412 3.138) 6.733 11.875 ( 0.155 -1.344 -0.982) 1.672 11.875 ( 0.155 1.344 -0.982) 1.672 12.020 ( -5.512 -4.650 -1.549) 7.376 12.020 ( -5.512 4.650 -1.549) 7.376 12.724 ( 3.238 -0.825 0.273) 3.352 12.724 ( 3.238 0.825 0.273) 3.352 12.787 ( 1.380 -1.509 0.444) 2.092 12.787 ( 1.380 1.509 0.444) 2.092 ======================= Grid point 179 (91/192) ======================= q-point: ( 0.40 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.349 ( 0.885 -1.655 1.847) 2.633 3.349 ( 0.885 1.655 1.847) 2.633 3.497 ( -0.335 -2.018 -3.107) 3.721 3.497 ( -0.335 2.018 -3.107) 3.721 3.771 ( 0.663 -11.991 3.171) 12.421 3.771 ( 0.663 11.991 3.171) 12.421 3.939 ( 1.053 -13.891 -0.572) 13.942 3.939 ( 1.053 13.891 -0.572) 13.942 5.039 ( -2.043 -14.224 -0.539) 14.380 5.039 ( -2.043 14.224 -0.539) 14.380 5.209 ( -1.552 -11.346 0.571) 11.466 5.209 ( -1.552 11.346 0.571) 11.466 6.202 ( -0.145 -3.753 -2.409) 4.462 6.202 ( -0.145 3.753 -2.409) 4.462 6.362 ( 2.554 -5.039 -0.563) 5.677 6.362 ( 2.554 5.039 -0.563) 5.677 6.711 ( 2.862 -3.560 -9.771) 10.786 6.711 ( 2.862 3.560 -9.771) 10.786 7.172 ( -5.595 -5.085 3.167) 8.197 7.172 ( -5.595 5.085 3.167) 8.197 7.385 ( 4.322 -1.961 8.094) 9.383 7.385 ( 4.322 1.961 8.094) 9.383 7.864 ( 1.691 -7.555 -0.140) 7.743 7.864 ( 1.691 7.555 -0.140) 7.743 8.032 ( 0.918 -9.914 0.894) 9.996 8.032 ( 0.918 9.914 0.894) 9.996 8.487 ( -4.275 -4.046 -0.419) 5.901 8.487 ( -4.275 4.046 -0.419) 5.901 8.766 ( -0.501 -7.172 -0.119) 7.191 8.766 ( -0.501 7.172 -0.119) 7.191 9.114 ( 1.730 -4.560 0.176) 4.880 9.114 ( 1.730 4.560 0.176) 4.880 10.493 ( 0.472 -8.371 2.817) 8.845 10.493 ( 0.472 8.371 2.817) 8.845 10.844 ( 0.595 -12.807 -2.049) 12.983 10.844 ( 0.595 12.807 -2.049) 12.983 11.179 ( 5.124 -8.334 -1.167) 9.852 11.179 ( 5.124 8.334 -1.167) 9.852 11.581 ( -1.666 -2.299 2.781) 3.974 11.581 ( -1.666 2.299 2.781) 3.974 11.824 ( -4.972 -7.432 -0.957) 8.993 11.824 ( -4.972 7.432 -0.957) 8.993 11.949 ( 0.370 -3.986 -2.217) 4.576 11.949 ( 0.370 3.986 -2.217) 4.576 12.761 ( 1.575 -2.657 -0.651) 3.157 12.761 ( 1.575 2.657 -0.651) 3.157 12.821 ( 0.927 -1.563 1.061) 2.104 12.821 ( 0.927 1.563 1.061) 2.104 ======================= Grid point 181 (92/192) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( -2.515 -3.172 -1.741) 4.407 3.325 ( -2.515 3.172 -1.741) 4.407 3.506 ( 1.880 -2.604 -0.733) 3.294 3.506 ( 1.880 2.604 -0.733) 3.294 3.789 ( -1.515 -12.812 2.350) 13.114 3.789 ( -1.515 12.812 2.350) 13.114 3.951 ( 0.671 -12.173 0.103) 12.192 3.951 ( 0.671 12.173 0.103) 12.192 5.030 ( 1.108 -15.417 0.850) 15.481 5.030 ( 1.108 15.417 0.850) 15.481 5.210 ( 0.245 -13.381 1.563) 13.474 5.210 ( 0.245 13.381 1.563) 13.474 6.169 ( 0.673 -2.525 -4.201) 4.947 6.169 ( 0.673 2.525 -4.201) 4.947 6.393 ( 0.768 -5.147 0.255) 5.210 6.393 ( 0.768 5.147 0.255) 5.210 6.710 ( 5.559 -4.973 -6.659) 9.999 6.710 ( 5.559 4.973 -6.659) 9.999 7.060 ( -5.970 -5.936 -3.176) 8.998 7.060 ( -5.970 5.936 -3.176) 8.998 7.479 ( -2.988 -2.501 7.553) 8.499 7.479 ( -2.988 2.501 7.553) 8.499 7.873 ( -1.851 -3.520 -1.569) 4.276 7.873 ( -1.851 3.520 -1.569) 4.276 8.022 ( 0.305 -5.541 -1.047) 5.647 8.022 ( 0.305 5.541 -1.047) 5.647 8.487 ( 2.259 -10.472 4.624) 11.669 8.487 ( 2.259 10.472 4.624) 11.669 8.782 ( 1.019 -5.593 1.809) 5.966 8.782 ( 1.019 5.593 1.809) 5.966 9.129 ( -0.237 -2.787 -0.392) 2.824 9.129 ( -0.237 2.787 -0.392) 2.824 10.510 ( -1.627 -8.962 2.826) 9.537 10.510 ( -1.627 8.962 2.826) 9.537 10.862 ( 2.460 -12.525 0.298) 12.768 10.862 ( 2.460 12.525 0.298) 12.768 11.209 ( 0.115 -4.052 -3.052) 5.074 11.209 ( 0.115 4.052 -3.052) 5.074 11.573 ( -2.815 -3.638 2.008) 5.019 11.573 ( -2.815 3.638 2.008) 5.019 11.768 ( 1.390 -4.977 -0.200) 5.172 11.768 ( 1.390 4.977 -0.200) 5.172 11.945 ( 0.987 -4.766 -2.444) 5.447 11.945 ( 0.987 4.766 -2.444) 5.447 12.780 ( 0.861 -3.426 0.050) 3.533 12.780 ( 0.861 3.426 0.050) 3.533 12.824 ( -1.211 -2.067 0.023) 2.395 12.824 ( -1.211 2.067 0.023) 2.395 ======================= Grid point 183 (93/192) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -2.869 -4.425 -0.844) 5.341 3.260 ( -2.869 4.425 -0.844) 5.341 3.508 ( 0.076 -0.899 -2.978) 3.111 3.508 ( 0.076 0.899 -2.978) 3.111 3.782 ( -1.531 -11.557 3.133) 12.071 3.782 ( -1.531 11.557 3.133) 12.071 3.966 ( 0.448 -10.060 0.710) 10.095 3.966 ( 0.448 10.060 0.710) 10.095 5.082 ( 3.128 -15.855 0.753) 16.178 5.082 ( 3.128 15.855 0.753) 16.178 5.237 ( 0.676 -14.506 1.886) 14.644 5.237 ( 0.676 14.506 1.886) 14.644 6.158 ( 3.213 -1.907 -5.219) 6.419 6.158 ( 3.213 1.907 -5.219) 6.419 6.390 ( -1.774 -6.369 -0.253) 6.616 6.390 ( -1.774 6.369 -0.253) 6.616 6.695 ( -1.723 -2.117 -8.682) 9.101 6.695 ( -1.723 2.117 -8.682) 9.101 7.000 ( 4.422 -4.882 1.045) 6.669 7.000 ( 4.422 4.882 1.045) 6.669 7.465 ( -5.264 -1.436 7.608) 9.363 7.465 ( -5.264 1.436 7.608) 9.363 7.743 ( -7.962 -5.206 -3.573) 10.162 7.743 ( -7.962 5.206 -3.573) 10.162 8.057 ( 2.253 -3.731 1.207) 4.523 8.057 ( 2.253 3.731 1.207) 4.523 8.607 ( 4.582 -5.853 3.220) 8.100 8.607 ( 4.582 5.853 3.220) 8.100 8.808 ( -0.685 -9.420 1.206) 9.521 8.808 ( -0.685 9.420 1.206) 9.521 9.112 ( -0.433 -3.440 0.108) 3.469 9.112 ( -0.433 3.440 0.108) 3.469 10.489 ( -3.502 -9.719 2.425) 10.612 10.489 ( -3.502 9.719 2.425) 10.612 10.927 ( 3.065 -10.847 1.420) 11.361 10.927 ( 3.065 10.847 1.420) 11.361 11.144 ( -3.101 -2.117 -2.768) 4.665 11.144 ( -3.101 2.117 -2.768) 4.665 11.534 ( -1.920 -6.427 1.063) 6.791 11.534 ( -1.920 6.427 1.063) 6.791 11.838 ( 3.909 -4.720 -0.286) 6.136 11.838 ( 3.909 4.720 -0.286) 6.136 11.944 ( 2.612 -6.066 -2.422) 7.034 11.944 ( 2.612 6.066 -2.422) 7.034 12.767 ( -2.982 -3.211 -0.703) 4.438 12.767 ( -2.982 3.211 -0.703) 4.438 12.807 ( 0.001 -3.235 0.852) 3.346 12.807 ( 0.001 3.235 0.852) 3.346 ======================= Grid point 185 (94/192) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -2.168 -5.069 1.304) 5.665 3.215 ( -2.168 5.069 1.304) 5.665 3.463 ( -0.673 -8.903 -3.990) 9.779 3.463 ( -0.672 8.903 -3.990) 9.779 3.796 ( -0.704 -6.313 3.093) 7.065 3.796 ( -0.704 6.313 3.093) 7.065 3.979 ( 0.295 -11.153 0.558) 11.171 3.979 ( 0.295 11.153 0.558) 11.171 5.136 ( 2.154 -15.175 -0.095) 15.327 5.136 ( 2.154 15.175 -0.095) 15.327 5.272 ( 1.576 -17.653 1.547) 17.791 5.272 ( 1.576 17.653 1.547) 17.791 6.149 ( -3.101 -3.596 -4.115) 6.283 6.149 ( -3.101 3.596 -4.115) 6.283 6.294 ( -2.050 -7.514 -5.977) 9.818 6.294 ( -2.050 7.514 -5.977) 9.818 6.619 ( 2.520 -0.767 -2.911) 3.926 6.619 ( 2.520 0.767 -2.911) 3.926 7.146 ( 3.864 -2.203 4.030) 6.002 7.146 ( 3.864 2.203 4.030) 6.002 7.468 ( -2.828 -5.717 5.005) 8.107 7.468 ( -2.828 5.717 5.005) 8.107 7.592 ( -1.490 -4.844 -0.073) 5.069 7.592 ( -1.490 4.844 -0.073) 5.069 8.105 ( 1.415 -4.781 1.627) 5.245 8.105 ( 1.415 4.781 1.627) 5.245 8.622 ( -6.216 -1.989 -0.677) 6.561 8.622 ( -6.216 1.989 -0.677) 6.561 8.784 ( -1.133 -14.247 -0.465) 14.300 8.784 ( -1.133 14.247 -0.465) 14.300 9.147 ( 3.703 -1.130 0.792) 3.952 9.147 ( 3.703 1.130 0.792) 3.952 10.439 ( -4.153 -9.972 2.071) 10.999 10.439 ( -4.153 9.972 2.071) 10.999 10.943 ( -2.749 -6.612 -1.311) 7.280 10.943 ( -2.749 6.612 -1.311) 7.280 11.101 ( 0.871 -6.439 0.273) 6.503 11.101 ( 0.871 6.439 0.273) 6.503 11.542 ( 1.276 -6.526 1.545) 6.827 11.542 ( 1.276 6.526 1.545) 6.827 11.850 ( 0.009 -2.333 -1.810) 2.953 11.850 ( 0.009 2.333 -1.810) 2.953 12.016 ( 6.078 -5.180 -1.630) 8.150 12.016 ( 6.078 5.180 -1.630) 8.150 12.692 ( -4.140 -3.979 -0.433) 5.759 12.692 ( -4.140 3.979 -0.433) 5.759 12.815 ( -0.428 -3.516 1.058) 3.697 12.815 ( -0.428 3.516 1.058) 3.697 ======================= Grid point 187 (95/192) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( -1.694 -7.717 2.672) 8.340 3.202 ( -1.694 7.717 2.672) 8.340 3.426 ( 0.344 -16.495 -2.556) 16.696 3.426 ( 0.344 16.495 -2.556) 16.696 3.804 ( -0.699 -3.696 0.973) 3.886 3.804 ( -0.699 3.696 0.973) 3.886 3.991 ( 0.741 -14.643 0.176) 14.663 3.991 ( 0.741 14.643 0.176) 14.663 5.161 ( 1.057 -14.137 -0.152) 14.178 5.161 ( 1.057 14.137 -0.152) 14.178 5.324 ( 2.362 -21.317 1.354) 21.491 5.324 ( 2.362 21.317 1.354) 21.491 5.934 ( -12.195 -3.490 -2.870) 13.005 5.934 ( -12.195 3.490 -2.870) 13.005 6.299 ( 5.700 -5.808 -5.951) 10.081 6.299 ( 5.700 5.808 -5.951) 10.081 6.700 ( 6.875 -2.910 0.289) 7.471 6.700 ( 6.875 2.910 0.289) 7.471 7.146 ( -5.309 -3.421 1.995) 6.623 7.146 ( -5.309 3.421 1.995) 6.623 7.399 ( -3.882 -4.997 1.430) 6.487 7.399 ( -3.882 4.997 1.430) 6.487 7.785 ( 12.545 -6.838 4.268) 14.912 7.785 ( 12.545 6.838 4.268) 14.912 8.139 ( -0.080 -8.634 3.825) 9.443 8.139 ( -0.080 8.634 3.825) 9.443 8.430 ( -9.979 -6.764 -3.253) 12.487 8.430 ( -9.979 6.764 -3.253) 12.487 8.733 ( -4.649 -6.916 -1.224) 8.422 8.733 ( -4.649 6.916 -1.224) 8.422 9.231 ( 4.683 -11.946 -0.440) 12.839 9.231 ( 4.683 11.946 -0.440) 12.839 10.389 ( -3.440 -10.303 2.125) 11.068 10.389 ( -3.440 10.303 2.125) 11.068 10.846 ( -4.790 -10.085 -2.142) 11.368 10.846 ( -4.790 10.085 -2.142) 11.368 11.136 ( 2.069 -4.969 -0.553) 5.411 11.136 ( 2.069 4.969 -0.553) 5.411 11.584 ( 0.414 -7.242 2.024) 7.531 11.584 ( 0.414 7.242 2.024) 7.531 11.850 ( 2.360 -1.919 -1.369) 3.336 11.850 ( 2.360 1.919 -1.369) 3.336 12.099 ( 4.544 -5.365 -1.239) 7.139 12.099 ( 4.544 5.365 -1.239) 7.139 12.621 ( -3.480 -5.019 0.393) 6.120 12.621 ( -3.480 5.019 0.393) 6.120 12.808 ( -1.188 -3.416 0.476) 3.648 12.808 ( -1.188 3.416 0.476) 3.648 ======================= Grid point 189 (96/192) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -1.730 -13.892 2.499) 14.221 3.198 ( -1.730 13.892 2.499) 14.221 3.429 ( 1.243 -23.138 0.201) 23.172 3.429 ( 1.243 23.138 0.201) 23.172 3.794 ( -0.358 -4.878 -0.760) 4.950 3.794 ( -0.358 4.878 -0.760) 4.950 4.004 ( 0.744 -17.514 -0.967) 17.556 4.004 ( 0.744 17.514 -0.967) 17.556 5.177 ( 0.736 -13.612 0.054) 13.632 5.177 ( 0.736 13.612 0.054) 13.632 5.372 ( 1.269 -22.392 0.884) 22.446 5.372 ( 1.269 22.392 0.884) 22.446 5.728 ( -8.027 -4.188 -0.314) 9.060 5.728 ( -8.027 4.188 -0.314) 9.060 6.338 ( 4.542 -6.950 -5.189) 9.791 6.338 ( 4.542 6.950 -5.189) 9.791 6.845 ( 8.178 -5.171 -0.505) 9.689 6.845 ( 8.178 5.171 -0.505) 9.689 7.064 ( -6.370 -5.730 5.409) 10.133 7.064 ( -6.370 5.730 5.409) 10.133 7.387 ( 0.671 -2.933 0.833) 3.122 7.387 ( 0.671 2.933 0.833) 3.122 7.889 ( -2.736 -2.491 -2.284) 4.348 7.889 ( -2.736 2.491 -2.284) 4.348 8.236 ( 2.830 -2.962 1.185) 4.265 8.236 ( 2.830 2.962 1.185) 4.265 8.314 ( 2.345 -9.316 4.512) 10.614 8.314 ( 2.345 9.316 4.512) 10.614 8.584 ( -8.781 -4.308 -3.236) 10.302 8.584 ( -8.781 4.308 -3.236) 10.302 9.297 ( 3.137 -18.286 -0.665) 18.565 9.297 ( 3.137 18.286 -0.665) 18.565 10.356 ( -2.413 -10.613 1.849) 11.040 10.356 ( -2.413 10.613 1.849) 11.040 10.754 ( -2.718 -13.991 -1.992) 14.391 10.754 ( -2.718 13.991 -1.992) 14.391 11.158 ( 1.633 -3.391 -1.586) 4.084 11.158 ( 1.633 3.391 -1.586) 4.084 11.586 ( -1.375 -10.172 1.138) 10.327 11.586 ( -1.375 10.172 1.138) 10.327 11.902 ( 3.312 -2.039 0.050) 3.890 11.902 ( 3.312 2.039 0.050) 3.890 12.155 ( 2.461 -6.535 -0.707) 7.019 12.155 ( 2.461 6.535 -0.707) 7.019 12.576 ( -2.119 -5.669 1.001) 6.134 12.576 ( -2.119 5.669 1.001) 6.134 12.785 ( -1.172 -3.105 -0.467) 3.352 12.785 ( -1.172 3.105 -0.467) 3.352 ======================= Grid point 231 (97/192) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.295 0.000 30.571) 30.572 1.319 ( 2.550 0.000 32.522) 32.622 2.011 ( 1.857 0.000 16.530) 16.634 2.352 ( -1.972 0.000 -22.265) 22.352 2.353 ( -1.084 0.000 22.536) 22.562 3.624 ( 2.388 0.000 1.560) 2.852 3.880 ( 1.403 0.000 -19.877) 19.927 4.046 ( -0.714 0.000 -7.221) 7.257 4.802 ( -3.193 0.000 -0.545) 3.239 4.934 ( 1.014 0.000 -7.889) 7.954 5.042 ( 7.272 0.000 2.014) 7.545 5.189 ( -4.529 0.000 -3.262) 5.581 5.481 ( -4.970 0.000 4.478) 6.690 5.862 ( 1.108 0.000 -11.817) 11.869 6.102 ( 12.672 0.000 5.725) 13.906 6.194 ( -7.368 0.000 -1.002) 7.435 6.642 ( -18.763 0.000 3.478) 19.082 6.832 ( 16.855 0.000 -6.597) 18.100 7.104 ( 1.415 0.000 7.306) 7.441 7.215 ( -0.601 0.000 5.246) 5.280 7.443 ( -3.567 0.000 -0.005) 3.567 7.623 ( -0.133 0.000 -7.430) 7.432 7.717 ( -1.488 0.000 4.022) 4.288 7.800 ( 4.017 0.000 1.454) 4.272 8.163 ( 6.764 0.000 -1.107) 6.854 8.251 ( -11.781 0.000 -7.070) 13.739 8.580 ( 3.771 0.000 1.087) 3.924 8.598 ( -3.893 0.000 0.768) 3.968 9.059 ( 14.348 0.000 6.481) 15.743 9.154 ( -5.605 0.000 -0.273) 5.612 9.331 ( -19.075 0.000 2.234) 19.206 9.434 ( 5.085 0.000 -1.787) 5.390 10.276 ( 0.654 0.000 -0.042) 0.656 10.324 ( 1.334 0.000 -2.679) 2.992 10.594 ( -1.505 0.000 2.685) 3.078 10.698 ( 4.039 0.000 -3.352) 5.249 11.093 ( -2.467 0.000 6.178) 6.652 11.293 ( 1.027 0.000 -4.021) 4.150 11.435 ( -0.472 0.000 0.811) 0.938 11.445 ( -0.797 0.000 0.114) 0.805 11.637 ( -1.250 0.000 2.454) 2.754 11.755 ( 1.068 0.000 -3.083) 3.263 12.373 ( 1.560 0.000 -0.052) 1.561 12.375 ( -1.391 0.000 -0.147) 1.399 12.466 ( -1.012 0.000 0.443) 1.104 12.488 ( 1.243 0.000 -0.594) 1.378 12.693 ( -0.335 0.000 0.278) 0.435 12.704 ( -0.175 0.000 -0.269) 0.321 ======================= Grid point 232 (98/192) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 9.356 0.000 22.571) 24.433 1.783 ( 13.163 0.000 27.812) 30.770 2.068 ( 9.700 0.000 -15.570) 18.344 2.203 ( 10.330 0.000 -22.095) 24.391 2.830 ( 12.093 0.000 37.324) 39.234 3.560 ( 7.997 0.000 -29.841) 30.894 3.774 ( -4.736 0.000 6.112) 7.732 3.914 ( -6.399 0.000 -7.400) 9.783 4.807 ( 2.590 0.000 1.805) 3.157 4.882 ( 0.199 0.000 -5.494) 5.498 5.047 ( -4.491 0.000 -3.938) 5.973 5.152 ( 1.078 0.000 2.071) 2.335 5.454 ( -5.488 0.000 9.156) 10.675 5.778 ( 2.081 0.000 -9.726) 9.946 6.067 ( -4.123 0.000 -3.367) 5.323 6.387 ( 7.903 0.000 5.703) 9.746 6.393 ( -6.438 0.000 -0.808) 6.488 7.079 ( 10.332 0.000 -2.062) 10.536 7.161 ( -1.898 0.000 4.501) 4.885 7.237 ( 2.436 0.000 -2.247) 3.314 7.389 ( -1.990 0.000 4.314) 4.751 7.540 ( -2.827 0.000 -4.174) 5.041 7.699 ( -3.246 0.000 1.580) 3.610 7.883 ( 3.840 0.000 -0.723) 3.908 7.944 ( -13.946 0.000 0.520) 13.956 8.310 ( 5.681 0.000 1.358) 5.841 8.481 ( -8.111 0.000 -0.410) 8.121 8.625 ( 0.184 0.000 1.640) 1.650 9.036 ( -3.746 0.000 -2.130) 4.309 9.122 ( -8.645 0.000 4.466) 9.730 9.331 ( 9.657 0.000 2.369) 9.944 9.532 ( 4.911 0.000 1.714) 5.202 10.289 ( 1.194 0.000 -0.151) 1.204 10.319 ( 0.690 0.000 -3.033) 3.111 10.553 ( -5.097 0.000 1.382) 5.281 10.707 ( 0.801 0.000 -4.023) 4.102 11.125 ( -0.772 0.000 6.820) 6.864 11.280 ( 1.909 0.000 -4.442) 4.835 11.424 ( -1.497 0.000 0.700) 1.652 11.427 ( -1.434 0.000 0.943) 1.716 11.646 ( -0.868 0.000 2.454) 2.603 11.748 ( 1.411 0.000 -2.548) 2.912 12.351 ( -0.850 0.000 -0.393) 0.936 12.405 ( 1.818 0.000 0.077) 1.819 12.448 ( -1.264 0.000 0.152) 1.273 12.505 ( 1.186 0.000 -0.408) 1.254 12.702 ( 0.147 0.000 0.006) 0.147 12.704 ( 0.798 0.000 0.004) 0.798 ======================= Grid point 233 (99/192) ======================= q-point: ( 0.20 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 12.059 0.000 1.880) 12.205 2.071 ( 13.384 0.000 -15.976) 20.841 2.314 ( 16.207 0.000 -7.426) 17.827 2.331 ( 13.219 0.000 23.805) 27.229 3.288 ( 6.658 0.000 10.172) 12.158 3.507 ( 20.583 0.000 -29.454) 35.933 3.699 ( -8.050 0.000 -1.024) 8.115 3.756 ( -6.924 0.000 10.263) 12.381 4.833 ( -0.141 0.000 -3.655) 3.657 4.905 ( 5.566 0.000 1.759) 5.838 5.000 ( -0.047 0.000 1.285) 1.286 5.122 ( -4.648 0.000 1.582) 4.910 5.479 ( -3.290 0.000 13.149) 13.554 5.743 ( 1.832 0.000 -7.613) 7.831 5.991 ( 0.558 0.000 -4.398) 4.434 6.265 ( -5.981 0.000 4.437) 7.447 6.583 ( 7.616 0.000 -3.605) 8.426 7.052 ( -7.811 0.000 0.029) 7.811 7.120 ( -4.924 0.000 1.504) 5.149 7.219 ( -1.062 0.000 -6.588) 6.673 7.457 ( -3.402 0.000 -0.295) 3.415 7.488 ( 2.113 0.000 -0.968) 2.325 7.697 ( 4.125 0.000 4.396) 6.029 7.742 ( -5.325 0.000 0.707) 5.372 8.012 ( 3.288 0.000 7.031) 7.762 8.185 ( -13.530 0.000 -5.980) 14.792 8.490 ( 5.778 0.000 5.420) 7.922 8.642 ( 1.435 0.000 0.202) 1.449 9.017 ( -7.132 0.000 1.417) 7.271 9.028 ( 3.709 0.000 -1.176) 3.891 9.483 ( 6.032 0.000 0.616) 6.064 9.619 ( 0.708 0.000 4.496) 4.552 10.263 ( -3.847 0.000 -4.103) 5.624 10.319 ( 2.155 0.000 -0.207) 2.165 10.453 ( -6.482 0.000 1.140) 6.581 10.655 ( -1.618 0.000 -4.462) 4.746 11.194 ( 1.048 0.000 6.559) 6.642 11.271 ( 1.959 0.000 -4.668) 5.062 11.399 ( -2.379 0.000 0.170) 2.386 11.424 ( 0.612 0.000 1.773) 1.876 11.643 ( -2.089 0.000 2.408) 3.188 11.756 ( 1.554 0.000 -1.856) 2.421 12.341 ( 0.076 0.000 -0.221) 0.234 12.425 ( -1.363 0.000 0.217) 1.380 12.436 ( 1.644 0.000 -0.394) 1.691 12.522 ( 1.087 0.000 -0.476) 1.187 12.711 ( 0.352 0.000 0.869) 0.937 12.713 ( 0.330 0.000 -0.286) 0.437 ======================= Grid point 234 (100/192) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 15.813 0.000 -14.338) 21.345 2.203 ( 18.312 0.000 -9.079) 20.439 2.518 ( 7.995 0.000 0.313) 8.001 2.754 ( 6.055 0.000 24.905) 25.630 3.132 ( -13.717 0.000 -9.385) 16.621 3.696 ( -1.688 0.000 4.459) 4.768 3.746 ( 21.125 0.000 -15.347) 26.111 3.783 ( 8.992 0.000 2.623) 9.367 4.811 ( 0.745 0.000 -2.460) 2.570 5.022 ( -2.256 0.000 5.741) 6.168 5.024 ( 6.198 0.000 0.029) 6.199 5.064 ( -4.389 0.000 3.973) 5.920 5.583 ( -1.068 0.000 14.969) 15.007 5.678 ( -0.310 0.000 -6.184) 6.192 6.012 ( 5.905 0.000 -3.554) 6.892 6.258 ( 0.272 0.000 3.975) 3.984 6.545 ( -5.308 0.000 -8.005) 9.605 6.872 ( -10.627 0.000 -1.502) 10.732 7.075 ( -0.961 0.000 1.240) 1.569 7.079 ( -4.570 0.000 -11.641) 12.506 7.412 ( -2.581 0.000 0.797) 2.701 7.427 ( -1.568 0.000 -5.334) 5.560 7.734 ( -1.137 0.000 6.415) 6.515 7.833 ( -2.202 0.000 0.934) 2.392 7.899 ( -6.758 0.000 2.122) 7.084 8.121 ( 2.167 0.000 4.225) 4.749 8.682 ( 2.681 0.000 -1.450) 3.048 8.727 ( 12.776 0.000 6.021) 14.124 8.919 ( -3.684 0.000 2.562) 4.487 9.079 ( 1.773 0.000 -0.658) 1.891 9.565 ( 3.107 0.000 -1.070) 3.286 9.632 ( -3.469 0.000 3.422) 4.873 10.115 ( -7.107 0.000 -2.386) 7.497 10.357 ( 2.280 0.000 -0.767) 2.405 10.358 ( -5.433 0.000 1.401) 5.611 10.575 ( -2.085 0.000 -4.345) 4.820 11.260 ( 1.564 0.000 -4.076) 4.366 11.279 ( 1.404 0.000 5.501) 5.677 11.343 ( -3.008 0.000 -1.030) 3.180 11.486 ( 4.065 0.000 1.791) 4.442 11.619 ( -3.138 0.000 2.565) 4.053 11.751 ( -0.407 0.000 -2.247) 2.284 12.348 ( 0.721 0.000 0.212) 0.751 12.406 ( -1.077 0.000 0.619) 1.242 12.456 ( 1.427 0.000 -1.137) 1.824 12.532 ( 0.612 0.000 -0.900) 1.089 12.714 ( 0.066 0.000 -0.115) 0.133 12.727 ( -0.012 0.000 1.495) 1.495 ======================= Grid point 235 (101/192) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 15.457 0.000 -8.058) 17.432 2.481 ( 20.143 0.000 -6.709) 21.230 2.587 ( 0.234 0.000 -1.140) 1.164 2.772 ( -16.532 0.000 1.427) 16.594 3.074 ( 4.295 0.000 15.219) 15.814 3.599 ( -10.994 0.000 6.436) 12.739 3.947 ( 9.790 0.000 -4.508) 10.778 4.019 ( 17.961 0.000 -14.094) 22.830 4.805 ( 0.193 0.000 -0.590) 0.621 4.996 ( -5.346 0.000 0.654) 5.386 5.013 ( -5.602 0.000 6.781) 8.796 5.144 ( 6.594 0.000 -1.231) 6.708 5.667 ( 3.726 0.000 -0.834) 3.818 5.708 ( -1.375 0.000 14.873) 14.936 6.158 ( 12.648 0.000 1.183) 12.703 6.292 ( -8.142 0.000 -6.866) 10.651 6.355 ( 2.784 0.000 1.159) 3.016 6.667 ( -10.181 0.000 -0.466) 10.192 6.851 ( -3.523 0.000 -18.306) 18.642 7.075 ( -0.212 0.000 -1.266) 1.283 7.349 ( -4.822 0.000 -1.177) 4.963 7.368 ( 0.315 0.000 -4.781) 4.791 7.661 ( -5.444 0.000 -2.847) 6.144 7.732 ( -6.683 0.000 3.829) 7.702 7.998 ( 1.763 0.000 10.194) 10.346 8.173 ( 1.153 0.000 1.499) 1.891 8.719 ( 3.316 0.000 2.070) 3.909 8.947 ( 0.708 0.000 3.360) 3.434 8.980 ( 7.704 0.000 2.505) 8.101 9.072 ( -1.193 0.000 -0.911) 1.501 9.578 ( -4.350 0.000 2.459) 4.997 9.591 ( 2.655 0.000 -1.457) 3.028 10.029 ( -2.117 0.000 3.178) 3.818 10.287 ( -3.591 0.000 1.531) 3.904 10.367 ( 0.153 0.000 -2.739) 2.743 10.508 ( -0.694 0.000 -4.301) 4.357 11.256 ( 1.908 0.000 -2.894) 3.466 11.260 ( -3.846 0.000 -0.341) 3.862 11.367 ( 2.396 0.000 3.416) 4.173 11.576 ( 3.514 0.000 -0.124) 3.516 11.587 ( -3.129 0.000 2.988) 4.327 11.697 ( -2.012 0.000 -2.749) 3.407 12.368 ( 0.915 0.000 0.717) 1.162 12.400 ( -0.546 0.000 1.197) 1.316 12.463 ( 0.901 0.000 -1.827) 2.037 12.524 ( -0.112 0.000 -1.575) 1.579 12.718 ( 0.366 0.000 0.329) 0.492 12.736 ( -0.476 0.000 1.313) 1.397 ======================= Grid point 236 (102/192) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -11.627 0.000 0.974) 11.667 2.478 ( -16.897 0.000 3.094) 17.178 2.565 ( 9.107 0.000 -2.233) 9.377 2.780 ( 17.639 0.000 -9.341) 19.959 3.309 ( 8.201 0.000 11.905) 14.456 3.474 ( -6.440 0.000 5.248) 8.307 4.011 ( 0.548 0.000 -5.761) 5.787 4.059 ( -0.080 0.000 -10.512) 10.512 4.815 ( -0.133 0.000 3.605) 3.607 4.902 ( -3.270 0.000 -2.285) 3.990 4.966 ( -4.792 0.000 4.876) 6.836 5.224 ( 5.174 0.000 -4.326) 6.744 5.783 ( 6.734 0.000 3.238) 7.472 5.816 ( -2.566 0.000 13.834) 14.070 6.038 ( -10.354 0.000 -3.963) 11.087 6.430 ( 3.044 0.000 3.356) 4.531 6.500 ( 9.795 0.000 -0.163) 9.796 6.559 ( 1.806 0.000 6.992) 7.221 6.642 ( 5.459 0.000 -21.857) 22.529 6.977 ( -6.577 0.000 -10.375) 12.285 7.238 ( -4.537 0.000 0.664) 4.586 7.343 ( 1.898 0.000 -3.731) 4.186 7.597 ( -7.802 0.000 0.239) 7.805 7.613 ( 1.419 0.000 -0.234) 1.438 8.136 ( 3.419 0.000 8.146) 8.834 8.198 ( -1.024 0.000 2.845) 3.023 8.855 ( 6.486 0.000 4.899) 8.128 8.951 ( -2.724 0.000 2.555) 3.734 8.963 ( -8.207 0.000 -1.643) 8.369 9.056 ( -0.140 0.000 -1.613) 1.619 9.568 ( -0.542 0.000 3.074) 3.122 9.639 ( 1.946 0.000 -0.487) 2.006 10.098 ( 4.372 0.000 6.301) 7.669 10.276 ( 0.646 0.000 2.209) 2.302 10.313 ( -1.607 0.000 -4.606) 4.879 10.455 ( 0.511 0.000 -6.230) 6.251 11.196 ( -3.617 0.000 1.056) 3.768 11.272 ( 2.430 0.000 -2.115) 3.222 11.450 ( 3.723 0.000 2.603) 4.542 11.538 ( -4.487 0.000 -2.658) 5.215 11.565 ( -3.055 0.000 3.593) 4.716 11.694 ( 3.073 0.000 -2.085) 3.713 12.390 ( 0.277 0.000 0.968) 1.007 12.413 ( 0.378 0.000 1.955) 1.991 12.452 ( 0.008 0.000 -2.125) 2.125 12.500 ( -0.331 0.000 -2.189) 2.214 12.734 ( 0.875 0.000 0.633) 1.080 12.735 ( -0.740 0.000 0.690) 1.012 ======================= Grid point 237 (103/192) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -25.203 0.000 5.373) 25.769 2.183 ( -20.468 0.000 0.330) 20.471 2.680 ( 3.818 0.000 -1.324) 4.041 2.883 ( 4.432 0.000 -6.618) 7.965 3.557 ( 9.483 0.000 4.005) 10.294 3.590 ( 8.295 0.000 6.720) 10.676 3.787 ( -17.999 0.000 -3.049) 18.255 3.854 ( -10.501 0.000 -9.699) 14.295 4.845 ( -0.286 0.000 -3.117) 3.130 4.901 ( 2.920 0.000 8.763) 9.237 4.967 ( 1.805 0.000 1.465) 2.325 5.250 ( 1.848 0.000 -3.715) 4.149 5.792 ( -4.581 0.000 -4.977) 6.765 5.932 ( 5.141 0.000 2.997) 5.951 5.941 ( -8.341 0.000 16.384) 18.385 6.369 ( -4.343 0.000 0.605) 4.385 6.502 ( 5.736 0.000 -15.082) 16.136 6.598 ( -0.332 0.000 -10.892) 10.897 6.786 ( 6.392 0.000 -6.485) 9.105 6.862 ( 8.687 0.000 5.483) 10.272 7.217 ( -1.404 0.000 3.881) 4.127 7.396 ( 7.515 0.000 -2.770) 8.009 7.509 ( -3.236 0.000 3.676) 4.898 7.696 ( 6.283 0.000 2.883) 6.912 8.186 ( -2.155 0.000 0.699) 2.266 8.251 ( 2.280 0.000 1.705) 2.847 8.747 ( -12.141 0.000 0.710) 12.162 8.924 ( -4.272 0.000 4.664) 6.325 8.988 ( 2.374 0.000 3.419) 4.163 9.041 ( 0.407 0.000 -1.992) 2.033 9.551 ( -3.957 0.000 0.987) 4.078 9.641 ( 0.204 0.000 -0.370) 0.422 10.234 ( -1.034 0.000 -5.865) 5.955 10.252 ( 5.202 0.000 3.586) 6.318 10.349 ( 3.821 0.000 3.490) 5.175 10.436 ( 4.821 0.000 -6.476) 8.073 11.144 ( -4.035 0.000 2.459) 4.725 11.293 ( 1.927 0.000 -1.895) 2.703 11.446 ( -2.648 0.000 -1.286) 2.944 11.530 ( -1.403 0.000 1.506) 2.058 11.558 ( 1.819 0.000 4.399) 4.761 11.717 ( 2.128 0.000 -2.960) 3.646 12.398 ( -0.435 0.000 1.268) 1.340 12.424 ( -0.791 0.000 -2.065) 2.211 12.446 ( 0.829 0.000 2.153) 2.307 12.476 ( 0.150 0.000 -2.352) 2.356 12.725 ( -0.703 0.000 0.186) 0.727 12.759 ( 1.207 0.000 0.463) 1.292 ======================= Grid point 238 (104/192) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -28.907 0.000 8.823) 30.224 1.767 ( -26.581 0.000 4.009) 26.882 2.669 ( -3.249 0.000 -1.881) 3.754 2.938 ( 6.481 0.000 0.299) 6.488 3.145 ( -42.687 0.000 4.663) 42.941 3.525 ( -15.210 0.000 -7.831) 17.107 3.788 ( 13.783 0.000 -3.958) 14.341 3.890 ( 11.199 0.000 0.665) 11.219 4.826 ( 1.495 0.000 -3.257) 3.583 5.000 ( 1.317 0.000 3.384) 3.631 5.091 ( 6.865 0.000 3.840) 7.866 5.211 ( -2.804 0.000 -2.745) 3.924 5.668 ( -2.897 0.000 -6.764) 7.358 5.890 ( -9.976 0.000 8.849) 13.335 6.000 ( 2.170 0.000 -2.048) 2.983 6.324 ( -1.392 0.000 1.005) 1.717 6.539 ( 11.080 0.000 -10.700) 15.403 6.541 ( 5.599 0.000 -1.391) 5.769 6.949 ( 10.262 0.000 -1.180) 10.329 6.975 ( 0.724 0.000 4.293) 4.353 7.249 ( 1.632 0.000 4.459) 4.748 7.497 ( 5.548 0.000 -3.457) 6.537 7.580 ( 4.146 0.000 9.612) 10.468 7.845 ( 2.694 0.000 2.801) 3.886 8.130 ( -3.266 0.000 -3.020) 4.448 8.213 ( -2.077 0.000 -3.476) 4.049 8.625 ( -4.884 0.000 3.912) 6.258 8.844 ( -8.896 0.000 1.509) 9.023 9.003 ( -3.019 0.000 2.486) 3.911 9.020 ( -0.076 0.000 -2.112) 2.113 9.495 ( -2.121 0.000 1.412) 2.547 9.678 ( 2.951 0.000 2.012) 3.571 10.183 ( 1.590 0.000 -4.878) 5.130 10.336 ( 2.359 0.000 0.207) 2.368 10.441 ( 2.604 0.000 2.544) 3.640 10.491 ( 7.103 0.000 -5.743) 9.135 11.102 ( -3.874 0.000 3.890) 5.490 11.323 ( 2.930 0.000 -0.167) 2.934 11.409 ( -0.783 0.000 -1.520) 1.710 11.489 ( -3.454 0.000 1.450) 3.746 11.638 ( 1.584 0.000 3.145) 3.521 11.726 ( 2.256 0.000 -2.588) 3.433 12.389 ( -0.832 0.000 -1.800) 1.983 12.401 ( -0.618 0.000 1.357) 1.491 12.462 ( 0.695 0.000 -2.021) 2.137 12.476 ( 0.154 0.000 1.754) 1.760 12.716 ( -0.402 0.000 0.016) 0.402 12.783 ( 1.215 0.000 -0.429) 1.288 ======================= Grid point 239 (105/192) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -26.357 0.000 18.343) 32.112 1.355 ( -27.128 0.000 14.434) 30.729 2.369 ( -47.193 0.000 17.059) 50.182 2.567 ( -9.600 0.000 -0.986) 9.651 3.003 ( -5.803 0.000 -8.963) 10.677 3.286 ( 1.061 0.000 4.056) 4.193 3.947 ( 10.980 0.000 -9.941) 14.811 4.041 ( 7.060 0.000 -3.469) 7.866 4.837 ( 3.422 0.000 -3.166) 4.661 5.027 ( 1.005 0.000 -2.742) 2.921 5.097 ( -6.685 0.000 -2.606) 7.175 5.196 ( 2.151 0.000 -0.170) 2.158 5.579 ( -1.051 0.000 -1.692) 1.992 5.828 ( -3.628 0.000 4.739) 5.968 5.993 ( 2.216 0.000 -7.039) 7.379 6.331 ( 0.084 0.000 1.753) 1.755 6.624 ( 7.728 0.000 -9.523) 12.264 6.721 ( 7.491 0.000 9.535) 12.126 7.037 ( 2.199 0.000 5.044) 5.503 7.043 ( 0.116 0.000 1.205) 1.211 7.438 ( 13.306 0.000 4.175) 13.945 7.523 ( 1.213 0.000 -3.343) 3.557 7.768 ( -7.234 0.000 -0.891) 7.289 7.834 ( 11.676 0.000 13.126) 17.567 7.986 ( -7.422 0.000 -7.025) 10.219 8.213 ( 0.830 0.000 -2.145) 2.300 8.582 ( -2.224 0.000 2.580) 3.406 8.658 ( -9.129 0.000 -2.724) 9.527 8.940 ( -6.978 0.000 3.308) 7.722 9.050 ( 4.963 0.000 0.051) 4.963 9.483 ( -1.812 0.000 0.806) 1.983 9.758 ( 3.019 0.000 0.310) 3.035 10.203 ( 3.742 0.000 -1.687) 4.105 10.349 ( 0.493 0.000 -1.960) 2.021 10.502 ( 1.469 0.000 2.961) 3.305 10.565 ( 6.721 0.000 -5.025) 8.392 11.082 ( -3.170 0.000 5.051) 5.963 11.373 ( -0.791 0.000 -2.986) 3.089 11.386 ( 3.186 0.000 0.721) 3.266 11.448 ( -1.993 0.000 0.697) 2.111 11.667 ( -1.343 0.000 2.455) 2.799 11.748 ( 2.493 0.000 -2.289) 3.385 12.363 ( -0.310 0.000 -1.320) 1.356 12.401 ( -0.712 0.000 1.110) 1.319 12.462 ( 1.133 0.000 -1.484) 1.867 12.484 ( -0.749 0.000 1.212) 1.425 12.712 ( -0.117 0.000 0.007) 0.117 12.785 ( 0.137 0.000 -2.427) 2.431 ======================= Grid point 240 (106/192) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -16.929 0.000 27.864) 32.604 1.150 ( -16.404 0.000 28.624) 32.991 1.888 ( -30.356 0.000 40.357) 50.500 2.398 ( -6.873 0.000 -3.226) 7.593 2.669 ( -10.429 0.000 -17.988) 20.793 3.484 ( 6.300 0.000 9.657) 11.530 3.987 ( 7.532 0.000 -16.917) 18.517 4.087 ( 3.223 0.000 -5.904) 6.727 4.893 ( 4.776 0.000 -4.402) 6.495 4.941 ( -6.260 0.000 0.511) 6.280 4.992 ( 0.757 0.000 -6.794) 6.836 5.216 ( 1.483 0.000 -0.118) 1.488 5.550 ( -3.535 0.000 0.180) 3.540 5.878 ( 3.813 0.000 7.329) 8.261 5.945 ( 2.070 0.000 -10.826) 11.023 6.317 ( -4.818 0.000 1.417) 5.023 6.664 ( 9.725 0.000 -9.651) 13.701 6.888 ( -5.947 0.000 8.591) 10.448 7.013 ( -1.958 0.000 3.717) 4.201 7.144 ( 2.557 0.000 5.822) 6.359 7.491 ( -1.767 0.000 -0.764) 1.925 7.676 ( 9.731 0.000 -1.848) 9.905 7.697 ( -1.191 0.000 2.154) 2.461 7.743 ( -6.139 0.000 -7.764) 9.898 8.151 ( -1.595 0.000 -4.255) 4.544 8.270 ( 17.701 0.000 8.467) 19.622 8.513 ( -3.447 0.000 -2.107) 4.040 8.607 ( 0.404 0.000 2.606) 2.637 8.859 ( -3.754 0.000 6.302) 7.335 9.159 ( 4.522 0.000 1.139) 4.663 9.431 ( -2.360 0.000 -1.861) 3.006 9.683 ( -10.292 0.000 -7.661) 12.831 10.254 ( 2.079 0.000 0.051) 2.079 10.333 ( 0.473 0.000 -2.593) 2.635 10.559 ( 1.010 0.000 4.158) 4.279 10.638 ( 6.034 0.000 -3.790) 7.126 11.083 ( -2.633 0.000 5.636) 6.221 11.326 ( -0.451 0.000 -3.801) 3.828 11.434 ( -0.400 0.000 0.546) 0.677 11.437 ( 1.524 0.000 0.401) 1.576 11.650 ( -2.462 0.000 2.197) 3.300 11.761 ( 1.593 0.000 -2.831) 3.249 12.356 ( 0.639 0.000 -0.655) 0.915 12.395 ( -0.909 0.000 0.554) 1.064 12.472 ( 1.295 0.000 -0.967) 1.616 12.477 ( -1.037 0.000 0.925) 1.390 12.709 ( -0.129 0.000 -0.113) 0.171 12.733 ( -2.565 0.000 -2.393) 3.508 ======================= Grid point 241 (107/192) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.440 17.831 27.376) 32.673 1.527 ( 3.615 18.007 28.165) 33.625 2.290 ( 1.354 23.772 0.791) 23.823 2.447 ( -1.803 9.515 -20.490) 22.663 2.583 ( -1.901 22.020 25.085) 33.433 3.664 ( 1.398 4.299 3.236) 5.559 3.779 ( 0.630 -6.299 -13.800) 15.183 4.066 ( -0.456 -0.037 -8.650) 8.662 4.867 ( -2.490 5.445 1.260) 6.118 5.032 ( 6.119 7.594 -6.799) 11.889 5.101 ( 1.665 4.959 0.266) 5.237 5.230 ( -2.989 3.358 -4.975) 6.706 5.520 ( -5.066 4.326 6.281) 9.156 5.941 ( 4.092 4.542 -9.635) 11.411 6.054 ( 1.195 0.093 2.206) 2.511 6.164 ( 1.003 -2.708 -2.120) 3.582 6.774 ( -11.118 10.222 2.781) 15.357 6.893 ( 8.586 2.955 -4.027) 9.933 7.050 ( 0.084 -2.530 7.953) 8.346 7.226 ( -1.596 -0.020 3.659) 3.992 7.402 ( -2.834 -2.989 -0.319) 4.131 7.551 ( 2.976 -6.763 -6.915) 10.120 7.658 ( -1.940 -5.185 3.310) 6.450 7.744 ( 2.556 -5.302 1.482) 6.070 8.154 ( 1.707 -0.858 -0.075) 1.912 8.227 ( -4.923 -2.250 -2.169) 5.831 8.440 ( 2.886 -12.547 4.865) 13.763 8.526 ( 0.115 -7.230 0.202) 7.234 8.738 ( -3.629 -20.190 10.870) 23.216 8.983 ( -5.060 -12.458 -1.527) 13.533 9.225 ( 3.537 0.438 8.732) 9.432 9.459 ( -0.056 3.017 -2.895) 4.182 10.384 ( -1.107 2.012 0.371) 2.327 10.522 ( 1.734 12.635 -5.521) 13.897 10.615 ( -0.711 5.962 2.148) 6.377 10.740 ( 2.713 -0.182 -5.768) 6.377 11.159 ( -0.755 1.669 -0.743) 1.977 11.256 ( 0.908 -3.655 -3.109) 4.883 11.479 ( -2.882 3.469 0.530) 4.541 11.512 ( 0.924 5.490 -1.233) 5.702 11.729 ( 0.052 7.240 2.755) 7.747 11.873 ( -0.331 10.666 -4.659) 11.643 12.366 ( 1.273 -1.669 0.114) 2.102 12.377 ( -1.361 -0.455 -0.408) 1.492 12.409 ( -0.221 -3.352 0.149) 3.362 12.413 ( -0.403 -4.964 0.013) 4.981 12.720 ( -0.511 1.910 0.601) 2.067 12.744 ( 0.600 2.417 -0.564) 2.554 ======================= Grid point 242 (108/192) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 8.451 15.070 24.012) 29.582 1.943 ( 13.150 14.580 23.020) 30.256 2.244 ( 7.478 14.980 -17.307) 24.080 2.306 ( 8.327 10.566 -21.252) 25.152 2.983 ( 9.233 15.833 31.062) 36.066 3.594 ( 7.440 4.223 -23.463) 24.974 3.760 ( -3.961 -0.884 9.939) 10.736 3.925 ( -5.703 0.785 -9.360) 10.989 4.857 ( -0.375 4.426 0.986) 4.550 5.010 ( 0.918 9.493 -5.897) 11.213 5.098 ( -3.428 3.585 -1.757) 5.262 5.151 ( -2.538 2.184 -0.355) 3.367 5.538 ( -1.033 7.013 9.878) 12.159 5.862 ( 2.292 7.939 -11.617) 14.256 6.056 ( -1.354 0.631 -0.454) 1.561 6.297 ( 11.022 -7.355 -2.064) 13.411 6.546 ( -12.060 12.821 3.018) 17.858 7.101 ( 5.594 -0.578 0.633) 5.659 7.122 ( -0.614 -3.155 6.700) 7.431 7.235 ( 4.468 -5.094 2.215) 7.129 7.304 ( -4.563 -2.678 -3.544) 6.368 7.516 ( -1.855 -1.716 -3.189) 4.069 7.627 ( -3.630 -5.542 0.981) 6.697 7.805 ( 2.994 -6.614 -0.478) 7.276 8.023 ( -7.908 6.221 3.290) 10.586 8.269 ( 0.886 -4.314 0.077) 4.404 8.408 ( -4.278 -6.090 0.917) 7.498 8.559 ( 1.756 -5.570 -0.023) 5.840 8.846 ( -2.521 -16.466 4.156) 17.169 8.898 ( 2.736 -13.919 4.011) 14.741 9.351 ( 1.585 0.988 -0.744) 2.010 9.473 ( 5.137 -1.169 1.051) 5.372 10.356 ( -2.748 2.195 1.102) 3.685 10.492 ( 0.960 9.829 -4.433) 10.825 10.582 ( -4.418 4.589 0.428) 6.385 10.728 ( 0.875 2.665 -4.031) 4.911 11.158 ( 0.088 0.335 2.228) 2.255 11.255 ( 2.121 -2.472 -3.034) 4.452 11.412 ( -4.671 0.944 1.355) 4.954 11.510 ( -0.876 6.665 0.670) 6.756 11.764 ( 0.545 7.860 2.767) 8.351 11.831 ( 0.050 8.359 -3.272) 8.977 12.349 ( -0.808 -0.763 -0.554) 1.242 12.393 ( 0.445 -3.675 0.405) 3.724 12.402 ( 0.468 -2.947 0.319) 3.001 12.427 ( 1.097 -3.147 0.083) 3.333 12.720 ( -0.163 2.016 0.505) 2.085 12.751 ( 0.749 2.256 -0.710) 2.481 ======================= Grid point 243 (109/192) ======================= q-point: ( 0.20 0.10 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 10.303 15.067 1.363) 18.304 2.232 ( 12.056 12.602 -20.283) 26.750 2.405 ( 14.878 10.087 15.596) 23.797 2.435 ( 15.072 8.773 4.475) 18.005 3.354 ( 5.865 8.840 10.768) 15.116 3.594 ( 16.417 7.080 -21.895) 28.267 3.656 ( -11.689 -1.016 -4.049) 12.413 3.811 ( -2.950 2.520 9.480) 10.244 4.856 ( 0.396 0.898 -1.336) 1.657 4.986 ( 0.327 4.351 -1.865) 4.745 5.045 ( -0.715 6.091 -0.528) 6.155 5.080 ( -5.491 0.130 4.442) 7.064 5.631 ( -0.014 12.291 7.698) 14.503 5.835 ( 4.376 6.347 -6.538) 10.108 6.031 ( 1.114 5.527 -2.907) 6.343 6.392 ( -3.572 8.295 1.864) 9.222 6.460 ( 3.678 -6.392 -2.028) 7.648 7.030 ( -7.853 -1.708 -1.400) 8.157 7.119 ( -4.772 -0.928 0.782) 4.924 7.211 ( -1.445 -6.199 1.725) 6.595 7.426 ( 3.226 -1.531 -4.430) 5.690 7.448 ( -0.217 -0.435 1.098) 1.200 7.580 ( -0.656 -8.272 4.078) 9.245 7.822 ( 1.627 1.404 -2.985) 3.678 8.037 ( 0.419 2.180 9.053) 9.321 8.121 ( -11.417 -2.713 -4.320) 12.504 8.421 ( 3.085 -5.946 1.857) 6.951 8.584 ( 2.107 -5.445 0.475) 5.858 8.838 ( -1.017 -10.995 1.822) 11.191 9.005 ( 2.684 -4.459 1.801) 5.507 9.340 ( 2.361 -11.539 -2.302) 12.001 9.591 ( 3.413 -0.552 2.048) 4.018 10.314 ( -3.054 2.118 1.393) 3.969 10.471 ( 0.191 9.213 -3.195) 9.753 10.480 ( -6.215 3.567 0.115) 7.167 10.676 ( -2.445 3.805 -3.804) 5.909 11.201 ( 1.647 -1.471 2.778) 3.549 11.266 ( 1.500 0.025 -2.490) 2.907 11.363 ( -1.956 -2.091 2.669) 3.914 11.494 ( -1.495 7.608 0.669) 7.783 11.795 ( 0.116 8.508 2.138) 8.773 11.807 ( -0.099 6.400 -2.002) 6.707 12.335 ( -0.373 -1.665 -0.298) 1.733 12.399 ( -0.291 -0.400 0.423) 0.651 12.412 ( 0.627 -6.326 -0.115) 6.358 12.453 ( 1.524 -1.173 -0.000) 1.923 12.725 ( 0.101 1.849 0.674) 1.970 12.755 ( 0.381 1.964 -0.575) 2.081 ======================= Grid point 244 (110/192) ======================= q-point: ( 0.30 0.10 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 17.433 9.061 -15.490) 25.019 2.334 ( 13.535 15.313 -6.099) 21.328 2.690 ( 9.075 13.611 2.326) 16.524 2.823 ( 8.430 6.994 20.911) 23.606 3.216 ( -14.220 8.082 -8.525) 18.445 3.611 ( -1.023 -2.697 7.956) 8.462 3.742 ( 17.744 0.476 -13.207) 22.125 3.879 ( 4.536 4.741 0.810) 6.611 4.842 ( -0.691 -1.043 -0.381) 1.308 4.970 ( -1.841 -1.640 2.033) 3.195 5.054 ( -3.680 0.998 5.818) 6.956 5.084 ( 4.032 6.143 0.806) 7.392 5.643 ( -1.681 9.500 -1.076) 9.707 5.887 ( 3.780 7.538 0.624) 8.456 6.061 ( 5.217 9.015 -2.082) 10.622 6.367 ( -1.360 10.384 3.198) 10.950 6.439 ( -2.385 -7.127 -5.757) 9.468 6.842 ( -10.297 -2.156 -2.125) 10.733 7.059 ( -2.723 -0.768 1.497) 3.201 7.197 ( 0.050 3.789 -5.563) 6.731 7.324 ( -2.590 -3.869 -7.798) 9.082 7.454 ( -0.813 1.530 1.481) 2.280 7.673 ( 0.131 -11.282 5.876) 12.721 7.835 ( -3.249 1.228 -1.119) 3.649 7.863 ( -5.364 2.342 1.811) 6.127 8.147 ( 0.290 1.845 6.442) 6.707 8.487 ( 2.780 -13.029 -2.435) 13.543 8.673 ( 4.897 -7.388 2.980) 9.351 8.879 ( 4.477 -3.706 4.649) 7.443 9.019 ( -0.040 -5.571 -0.526) 5.596 9.411 ( 4.428 -9.629 0.968) 10.643 9.590 ( -4.036 -3.973 -1.584) 5.881 10.272 ( -2.833 5.174 1.298) 6.040 10.370 ( -5.252 6.194 0.782) 8.158 10.455 ( 0.172 6.482 -1.686) 6.700 10.584 ( -3.310 2.685 -3.137) 5.292 11.236 ( -0.959 -0.818 -2.297) 2.620 11.261 ( 1.103 -3.806 2.045) 4.459 11.394 ( 0.258 3.576 2.852) 4.581 11.492 ( 2.401 4.813 0.224) 5.383 11.777 ( -1.688 5.804 -1.034) 6.132 11.804 ( -0.778 8.996 0.373) 9.037 12.325 ( -0.794 -4.019 0.103) 4.098 12.395 ( 0.166 1.065 0.066) 1.080 12.424 ( 0.484 -6.779 -0.193) 6.799 12.475 ( 1.066 -0.175 -0.554) 1.214 12.735 ( 0.082 1.701 0.966) 1.957 12.756 ( 0.218 1.913 -0.244) 1.940 ======================= Grid point 245 (111/192) ======================= q-point: ( 0.40 0.10 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 14.433 13.447 -6.377) 20.732 2.555 ( 16.881 7.700 -5.544) 19.365 2.758 ( -2.905 11.864 -1.514) 12.308 2.909 ( -10.119 14.624 -0.395) 17.788 3.133 ( 5.042 6.159 14.397) 16.450 3.584 ( -8.342 -0.619 5.962) 10.272 3.898 ( 6.607 -4.341 -3.909) 8.819 4.001 ( 12.681 -1.038 -10.767) 16.668 4.839 ( -1.185 -0.588 3.179) 3.444 4.951 ( -2.947 -1.329 2.610) 4.155 5.041 ( -3.354 2.610 4.628) 6.283 5.172 ( 4.895 3.215 -1.210) 5.980 5.603 ( -0.190 5.088 -1.164) 5.223 5.952 ( 2.668 4.448 -0.741) 5.240 6.191 ( 7.912 8.595 2.213) 11.890 6.294 ( -2.272 1.250 -4.828) 5.481 6.418 ( 2.315 5.193 1.389) 5.853 6.649 ( -9.183 0.718 0.239) 9.214 6.981 ( -4.522 7.997 -7.277) 11.720 7.114 ( -0.064 5.020 -7.941) 9.395 7.226 ( -0.965 -7.257 -5.008) 8.870 7.443 ( -1.680 2.807 -0.801) 3.368 7.646 ( -4.209 -1.029 0.017) 4.333 7.743 ( -4.954 -2.477 3.333) 6.464 7.908 ( -1.835 -3.349 7.818) 8.701 8.184 ( 0.712 1.088 0.544) 1.410 8.527 ( 4.527 -16.116 2.540) 16.931 8.785 ( 3.573 -9.121 3.252) 10.322 8.957 ( -0.441 -8.333 0.107) 8.345 9.119 ( 6.411 5.073 3.672) 8.962 9.417 ( -5.920 -10.720 0.072) 12.246 9.516 ( 1.779 -6.151 -0.313) 6.411 10.254 ( -0.954 4.474 2.006) 4.995 10.307 ( -2.900 11.309 2.068) 11.856 10.433 ( -0.567 4.325 -3.034) 5.313 10.518 ( -1.039 2.939 -1.915) 3.658 11.196 ( -0.812 -2.315 -1.269) 2.762 11.264 ( -1.912 -2.698 -0.896) 3.426 11.426 ( 1.466 6.750 3.396) 7.697 11.585 ( 5.700 2.613 0.748) 6.315 11.718 ( -3.574 2.943 -1.912) 5.009 11.774 ( -1.948 11.712 -0.673) 11.892 12.316 ( -0.341 -6.279 0.740) 6.331 12.409 ( 0.679 2.610 0.433) 2.732 12.420 ( -0.172 -8.043 -0.941) 8.100 12.480 ( 0.352 0.578 -1.125) 1.313 12.745 ( -0.074 1.815 0.947) 2.048 12.759 ( 0.255 1.880 0.056) 1.898 ======================= Grid point 246 (112/192) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -16.594 6.466 3.562) 18.162 2.643 ( -2.639 15.601 0.652) 15.836 2.769 ( 5.389 13.997 -3.737) 15.457 2.873 ( 13.404 11.957 -8.146) 19.723 3.350 ( 5.508 4.316 11.508) 13.469 3.489 ( -4.731 1.771 5.007) 7.113 3.915 ( -1.920 -7.041 -3.674) 8.170 4.028 ( 0.764 -3.447 -9.634) 10.261 4.846 ( -3.413 -0.750 6.304) 7.207 4.929 ( -0.334 3.547 0.496) 3.597 5.034 ( -0.323 6.366 1.910) 6.654 5.216 ( 2.118 -0.434 -2.533) 3.330 5.633 ( 2.124 0.378 3.273) 3.920 5.910 ( -2.810 -2.410 -8.569) 9.334 6.216 ( 0.659 12.652 4.539) 13.458 6.445 ( 3.738 -2.396 -5.018) 6.700 6.501 ( 5.269 -4.328 6.232) 9.238 6.548 ( 1.430 11.903 4.938) 12.965 6.827 ( 0.113 12.021 -10.986) 16.286 6.993 ( -3.566 3.979 -12.893) 13.956 7.213 ( 0.839 -2.855 2.725) 4.035 7.362 ( -3.474 1.221 -3.842) 5.322 7.583 ( -6.149 0.179 2.300) 6.567 7.656 ( -0.646 2.825 -0.800) 3.007 8.007 ( 3.339 -9.296 8.141) 12.800 8.169 ( -2.240 -4.387 -0.143) 4.928 8.703 ( 7.582 -12.238 6.009) 15.600 8.835 ( -1.768 -8.244 0.646) 8.456 8.938 ( -2.788 -3.511 1.939) 4.884 9.063 ( -6.442 0.083 -2.594) 6.945 9.461 ( 3.825 -7.171 3.920) 9.023 9.540 ( 0.294 -7.841 -0.357) 7.855 10.261 ( -0.300 -1.187 2.500) 2.783 10.325 ( 1.381 16.029 2.882) 16.345 10.395 ( 0.820 4.479 -3.087) 5.501 10.488 ( 0.756 5.064 -3.858) 6.411 11.189 ( -1.796 -3.926 0.170) 4.321 11.210 ( 0.159 0.395 -1.073) 1.155 11.504 ( 2.518 3.781 3.890) 5.981 11.611 ( -5.534 3.804 -2.153) 7.052 11.672 ( 2.208 7.730 0.429) 8.051 11.741 ( 0.644 7.004 -1.983) 7.307 12.331 ( 0.657 -7.035 1.523) 7.228 12.395 ( -0.709 -5.635 -1.375) 5.844 12.429 ( 0.609 0.066 0.397) 0.730 12.467 ( -0.326 1.054 -1.378) 1.765 12.750 ( -0.312 1.796 0.802) 1.992 12.766 ( 0.431 1.831 0.024) 1.881 ======================= Grid point 247 (113/192) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -23.123 8.630 4.846) 25.153 2.416 ( -18.178 19.272 -0.635) 26.500 2.851 ( 3.248 15.332 -0.596) 15.684 2.964 ( 3.941 8.505 -6.202) 11.240 3.538 ( 8.080 -0.843 5.686) 9.916 3.635 ( 9.846 3.534 5.624) 11.877 3.729 ( -14.856 -3.528 -2.922) 15.547 3.836 ( -11.223 -1.845 -7.897) 13.847 4.845 ( -0.621 0.521 1.346) 1.571 4.974 ( 2.595 4.271 4.620) 6.805 5.074 ( 3.509 9.179 -0.215) 9.829 5.214 ( -0.387 -2.685 -0.173) 2.719 5.717 ( 1.266 -2.189 5.772) 6.301 5.755 ( -3.220 -2.413 -9.085) 9.936 6.311 ( 2.653 6.514 4.702) 8.460 6.379 ( -7.521 7.641 -0.934) 10.762 6.462 ( 2.287 0.033 -8.447) 8.751 6.742 ( -0.692 5.122 1.333) 5.337 6.803 ( 2.842 5.656 -4.787) 7.936 6.871 ( 11.553 4.891 -5.415) 13.664 7.210 ( -3.802 -1.169 0.475) 4.006 7.397 ( 7.912 -0.248 1.343) 8.029 7.503 ( -4.498 -0.503 5.763) 7.328 7.718 ( 5.080 2.517 1.819) 5.954 8.088 ( -1.994 -8.145 0.077) 8.386 8.176 ( 4.046 -7.310 2.729) 8.790 8.632 ( -13.795 -7.535 -3.263) 16.053 8.827 ( 0.106 -12.432 2.169) 12.620 8.921 ( -3.217 -2.673 3.915) 5.729 9.081 ( 4.527 3.029 2.916) 6.178 9.446 ( -4.380 -10.801 -0.286) 11.658 9.545 ( -0.818 -4.453 -1.278) 4.705 10.290 ( 0.875 -0.692 1.775) 2.097 10.360 ( 0.753 11.160 0.080) 11.186 10.426 ( 4.947 2.469 -2.260) 5.973 10.512 ( 5.637 10.812 -3.006) 12.558 11.132 ( -2.705 -0.544 0.731) 2.855 11.259 ( 3.412 -1.879 0.563) 3.936 11.498 ( -4.555 4.705 -1.272) 6.671 11.553 ( -2.479 0.693 3.346) 4.221 11.681 ( 1.546 9.837 -0.724) 9.984 11.775 ( 3.423 5.871 -1.041) 6.875 12.349 ( -0.371 -7.026 0.246) 7.040 12.386 ( 1.155 -6.304 -0.161) 6.411 12.435 ( -0.628 1.333 -0.008) 1.473 12.447 ( -0.212 0.811 -0.685) 1.082 12.749 ( -0.497 1.974 0.545) 2.108 12.775 ( 0.602 1.139 -0.179) 1.301 ======================= Grid point 248 (114/192) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -25.684 12.487 7.606) 29.554 2.041 ( -23.216 22.088 2.816) 32.168 2.835 ( -3.936 15.075 -1.921) 15.698 3.012 ( 5.644 7.238 0.995) 9.232 3.232 ( -36.116 9.194 5.232) 37.634 3.513 ( -12.575 -0.737 -8.347) 15.111 3.763 ( 11.629 -1.785 -2.521) 12.032 3.895 ( 10.526 0.549 1.484) 10.644 4.850 ( 1.692 2.622 -2.175) 3.804 5.057 ( 0.409 -2.585 2.613) 3.698 5.123 ( 1.786 6.881 -1.753) 7.322 5.241 ( 3.422 5.100 2.284) 6.553 5.634 ( -0.842 -1.489 -7.845) 8.029 5.764 ( -2.896 -3.668 6.232) 7.790 6.178 ( -5.671 4.240 -6.611) 9.687 6.405 ( 2.130 10.554 3.223) 11.239 6.480 ( 6.426 -1.901 -6.243) 9.159 6.742 ( 4.250 9.975 -0.152) 10.844 6.896 ( 4.496 3.640 4.605) 7.394 7.052 ( 7.791 2.314 -1.479) 8.261 7.160 ( 0.313 -7.540 1.486) 7.691 7.470 ( 0.970 -0.567 3.673) 3.841 7.605 ( 4.330 0.802 6.304) 7.689 7.812 ( 0.644 -2.602 1.061) 2.883 8.041 ( -3.247 -7.463 -2.121) 8.411 8.206 ( 0.071 -1.588 -1.950) 2.516 8.450 ( -3.813 -10.219 2.457) 11.181 8.782 ( -4.881 -12.950 -1.445) 13.914 8.880 ( -5.059 -4.017 3.377) 7.289 9.077 ( -6.025 1.352 -1.165) 6.284 9.460 ( 2.724 -6.213 3.382) 7.580 9.466 ( -4.003 -7.418 -1.561) 8.573 10.329 ( 2.501 3.936 0.172) 4.667 10.382 ( 2.060 6.824 -0.311) 7.135 10.508 ( 5.787 3.325 -2.656) 7.183 10.581 ( 5.615 9.064 -3.914) 11.358 11.124 ( -0.142 2.260 2.481) 3.358 11.321 ( 2.680 -3.091 -0.307) 4.103 11.439 ( -1.057 5.957 0.413) 6.064 11.494 ( -4.584 -0.217 0.614) 4.630 11.717 ( 1.273 6.099 0.797) 6.281 11.831 ( 3.597 9.357 -0.454) 10.035 12.341 ( 0.148 -6.392 -0.401) 6.407 12.399 ( -0.622 -3.100 -0.435) 3.191 12.421 ( 0.178 -1.461 0.282) 1.498 12.448 ( 0.067 0.587 0.280) 0.654 12.744 ( -0.530 2.060 0.385) 2.161 12.782 ( 0.548 0.090 -0.716) 0.906 ======================= Grid point 249 (115/192) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -23.003 17.185 14.409) 32.126 1.673 ( -23.869 23.405 10.736) 35.111 2.562 ( -34.494 19.185 12.480) 41.396 2.762 ( -11.750 17.360 1.620) 21.026 3.064 ( -6.157 6.266 -9.549) 12.975 3.321 ( 2.634 3.676 5.021) 6.757 3.888 ( 7.903 -3.539 -8.588) 12.195 4.053 ( 7.279 -0.322 -2.217) 7.616 4.872 ( 3.423 3.168 -2.452) 5.270 5.023 ( -3.422 -5.100 -1.355) 6.289 5.117 ( 0.636 8.781 -3.931) 9.641 5.313 ( 2.728 7.067 -2.612) 8.013 5.578 ( -0.133 1.024 -1.600) 1.904 5.770 ( -1.874 -2.889 6.511) 7.365 6.076 ( -0.498 5.003 -4.186) 6.542 6.430 ( -2.218 5.514 -0.261) 5.949 6.559 ( 8.709 1.156 -6.581) 10.977 6.850 ( 4.145 2.989 3.798) 6.367 7.032 ( 3.837 5.570 7.165) 9.853 7.075 ( -0.031 -0.929 2.381) 2.556 7.313 ( 9.184 -6.498 0.538) 11.263 7.554 ( 3.977 -1.078 3.187) 5.209 7.709 ( -4.008 -3.349 5.120) 7.314 7.775 ( 3.644 -5.065 0.487) 6.259 7.869 ( -9.152 -7.293 -2.907) 12.058 8.296 ( 5.036 3.342 -0.078) 6.044 8.384 ( -5.308 -9.290 -0.118) 10.700 8.650 ( -7.295 -10.011 -1.728) 12.507 8.817 ( -5.152 -3.899 4.231) 7.723 9.012 ( 1.539 -10.454 1.659) 10.696 9.301 ( -10.640 -8.842 -1.454) 13.910 9.559 ( 0.378 -3.728 3.164) 4.904 10.381 ( 2.431 2.724 -0.477) 3.682 10.422 ( 3.696 9.784 -1.055) 10.512 10.564 ( 2.750 6.818 -0.811) 7.396 10.663 ( 8.241 3.046 -5.994) 10.636 11.154 ( 0.950 4.304 1.304) 4.596 11.331 ( -0.073 -3.359 -2.500) 4.188 11.433 ( -0.143 -2.137 0.077) 2.143 11.476 ( 1.827 8.117 1.376) 8.433 11.729 ( -0.986 5.119 1.244) 5.359 11.889 ( 3.551 11.142 -1.616) 11.805 12.346 ( 0.438 -3.936 -0.392) 3.980 12.384 ( -0.301 -1.953 0.381) 2.012 12.424 ( -0.661 -2.920 0.517) 3.038 12.451 ( 0.330 -0.096 -0.616) 0.706 12.739 ( -0.388 1.775 0.373) 1.855 12.775 ( -0.259 -0.426 -1.632) 1.706 ======================= Grid point 250 (116/192) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -12.172 19.340 24.781) 33.709 1.423 ( -18.359 20.904 20.724) 34.691 2.235 ( -19.855 31.151 28.204) 46.477 2.604 ( -6.793 18.047 -1.222) 19.321 2.746 ( -9.510 7.993 -17.502) 21.462 3.523 ( 5.678 3.828 10.495) 12.531 3.887 ( 4.171 -5.605 -13.941) 15.594 4.111 ( 3.579 -0.547 -6.166) 7.150 4.914 ( -0.675 1.283 0.443) 1.516 4.958 ( 2.655 3.363 -4.147) 5.963 5.096 ( 1.814 8.086 -3.622) 9.044 5.297 ( 0.688 5.128 -5.314) 7.416 5.561 ( -3.404 3.038 2.772) 5.338 5.846 ( 3.329 -1.563 6.061) 7.090 6.051 ( 1.968 7.252 -4.797) 8.915 6.298 ( -7.866 -2.630 -5.197) 9.788 6.671 ( 10.114 4.389 -4.486) 11.903 6.944 ( 0.762 -4.123 6.260) 7.534 7.074 ( -7.419 11.798 3.843) 14.457 7.169 ( 3.488 1.356 5.199) 6.405 7.404 ( 1.587 -6.231 0.407) 6.443 7.605 ( -0.605 -8.081 -7.884) 11.306 7.664 ( -1.882 -5.363 -1.409) 5.855 7.684 ( 0.349 -1.245 3.139) 3.395 8.039 ( 10.101 -15.214 11.454) 21.557 8.219 ( -2.769 0.384 -1.207) 3.045 8.399 ( -0.793 -5.618 1.808) 5.955 8.539 ( -3.747 -10.341 1.301) 11.076 8.790 ( -2.839 -2.464 1.985) 4.250 9.076 ( -7.413 -7.166 -0.421) 10.318 9.122 ( -0.327 -18.785 7.914) 20.386 9.521 ( -4.674 2.373 -0.174) 5.245 10.392 ( 0.260 2.065 -0.708) 2.198 10.499 ( 4.974 12.043 -1.922) 13.171 10.596 ( 0.959 6.765 0.473) 6.849 10.730 ( 5.755 0.002 -7.019) 9.077 11.173 ( 0.980 3.008 -1.481) 3.493 11.287 ( -0.890 -3.812 -3.181) 5.044 11.471 ( 3.404 0.747 -1.257) 3.704 11.510 ( 0.484 7.355 0.378) 7.380 11.718 ( -1.372 5.872 1.880) 6.317 11.911 ( 1.783 11.673 -4.432) 12.613 12.348 ( 0.633 -1.881 -0.420) 2.028 12.395 ( 0.341 -2.121 0.719) 2.265 12.408 ( -1.291 -3.196 0.115) 3.449 12.440 ( -0.703 -1.356 -1.234) 1.963 12.734 ( -0.920 1.077 0.101) 1.420 12.745 ( -0.549 1.578 -0.941) 1.917 ======================= Grid point 251 (117/192) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -1.007 24.731 19.527) 31.527 1.961 ( 2.440 23.679 21.715) 32.221 2.700 ( -0.325 14.968 -18.513) 23.809 2.778 ( -0.440 20.758 -17.261) 27.001 3.217 ( -0.311 36.952 22.166) 43.091 3.682 ( -1.635 -1.070 4.660) 5.053 3.853 ( -0.051 14.063 -3.597) 14.515 4.044 ( 0.295 -1.288 -6.136) 6.277 4.910 ( -1.913 -4.094 4.825) 6.610 5.151 ( 7.621 0.458 -5.935) 9.670 5.228 ( -3.600 7.416 -0.956) 8.298 5.274 ( 2.075 2.018 -4.123) 5.037 5.677 ( -5.445 9.952 5.260) 12.504 5.941 ( 2.966 -1.220 3.343) 4.633 6.100 ( 2.614 -1.207 -3.753) 4.731 6.240 ( 2.621 11.822 -9.027) 15.103 6.797 ( 3.015 -7.525 3.534) 8.843 6.925 ( -4.082 3.450 1.802) 5.641 7.096 ( -5.696 -0.330 1.802) 5.984 7.213 ( -3.909 -1.126 -1.081) 4.209 7.342 ( -4.189 -3.067 -2.865) 5.930 7.439 ( 10.088 0.724 -2.841) 10.506 7.592 ( 1.627 -1.481 3.269) 3.940 7.621 ( -4.434 -3.110 3.561) 6.482 8.047 ( 8.984 -9.245 8.065) 15.206 8.209 ( -0.148 3.110 1.594) 3.498 8.258 ( -6.063 -4.271 4.198) 8.522 8.379 ( 2.765 -3.687 2.435) 5.212 8.587 ( -4.071 -1.327 -3.766) 5.702 8.700 ( -7.609 -12.833 -5.314) 15.837 9.297 ( 10.352 5.049 10.380) 15.505 9.545 ( -4.000 4.521 -2.571) 6.561 10.356 ( -2.745 -2.739 1.983) 4.356 10.588 ( 1.720 -5.536 -8.546) 10.327 10.754 ( -2.533 3.346 -0.352) 4.211 10.786 ( 5.428 4.303 -0.808) 6.973 11.130 ( -1.629 -3.227 -2.025) 4.143 11.164 ( 1.173 -4.019 -1.618) 4.489 11.544 ( 1.846 2.477 2.222) 3.805 11.645 ( -2.710 7.597 -2.698) 8.505 11.849 ( -0.433 2.964 2.901) 4.170 12.020 ( 2.105 1.320 -5.578) 6.106 12.288 ( 1.828 -4.165 1.749) 4.873 12.331 ( -2.430 0.485 -0.027) 2.478 12.388 ( -0.783 -0.289 -0.023) 0.835 12.413 ( -1.135 2.695 -1.065) 3.112 12.754 ( -0.188 1.324 0.462) 1.415 12.772 ( 0.502 0.239 -0.324) 0.643 ======================= Grid point 252 (118/192) ======================= q-point: ( 0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 6.148 19.198 20.274) 28.590 2.290 ( 10.083 17.920 19.758) 28.516 2.574 ( 6.916 17.444 -17.236) 25.480 2.618 ( 4.059 17.386 -21.015) 27.575 3.472 ( 4.984 30.115 17.150) 35.013 3.712 ( 2.346 1.980 3.118) 4.375 3.814 ( -1.225 12.055 -2.143) 12.305 3.944 ( -4.268 1.920 -7.893) 9.176 4.890 ( -5.514 -4.361 4.344) 8.264 5.077 ( -3.143 -1.104 -5.171) 6.151 5.177 ( -2.044 4.207 -3.234) 5.687 5.347 ( 4.611 12.727 -3.902) 14.088 5.690 ( 0.969 7.743 9.158) 12.032 6.025 ( 6.477 -2.747 -4.868) 8.555 6.099 ( 1.782 8.086 -2.755) 8.727 6.222 ( 2.483 5.123 -5.178) 7.696 6.793 ( -6.017 8.112 -1.054) 10.155 6.906 ( 1.656 -13.391 5.667) 14.635 7.104 ( -2.205 -1.220 3.566) 4.366 7.133 ( -3.986 -0.699 1.741) 4.405 7.247 ( -1.194 -4.869 -1.239) 5.165 7.503 ( -1.023 0.992 -2.538) 2.911 7.591 ( 1.575 2.349 -0.853) 2.954 7.674 ( 1.346 -4.457 3.195) 5.647 8.081 ( -5.558 -3.019 -2.734) 6.890 8.192 ( -1.016 -5.048 1.421) 5.342 8.277 ( -1.377 -2.510 8.328) 8.806 8.457 ( 3.972 -2.015 -2.940) 5.337 8.544 ( -0.416 -10.485 1.583) 10.612 8.716 ( 11.236 -4.768 4.326) 12.950 9.380 ( -8.588 3.136 -7.275) 11.684 9.522 ( 5.475 3.653 5.494) 8.573 10.321 ( -3.806 -3.671 2.960) 6.060 10.534 ( -0.058 -3.686 -5.100) 6.292 10.685 ( -3.342 2.804 -1.909) 4.763 10.852 ( 2.942 5.473 -2.227) 6.601 11.108 ( 0.160 -4.190 0.421) 4.215 11.191 ( 3.408 -2.719 -1.065) 4.488 11.478 ( -7.593 5.120 -0.374) 9.165 11.647 ( 1.605 5.814 1.435) 6.200 11.872 ( -0.012 1.753 2.654) 3.181 11.989 ( 0.437 4.222 -5.491) 6.940 12.265 ( -2.969 -4.574 0.431) 5.470 12.323 ( -0.398 -0.195 0.941) 1.040 12.404 ( 1.120 1.602 0.203) 1.965 12.419 ( 2.250 0.797 0.918) 2.558 12.757 ( 0.078 1.322 0.314) 1.361 12.776 ( 0.464 0.337 -0.558) 0.800 ======================= Grid point 253 (119/192) ======================= q-point: ( 0.20 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 7.232 14.238 -1.782) 16.069 2.579 ( 11.676 19.207 -12.461) 25.701 2.650 ( 12.938 12.303 6.188) 18.895 2.689 ( 13.270 15.991 9.504) 22.850 3.635 ( -3.639 8.662 4.140) 10.267 3.725 ( -5.515 14.835 -5.102) 16.629 3.786 ( 1.640 10.491 -3.048) 11.048 3.851 ( 5.279 5.561 3.510) 8.433 4.798 ( -8.662 -7.303 4.258) 12.103 4.993 ( -0.755 -2.135 -4.151) 4.729 5.131 ( -0.559 5.895 -0.745) 5.968 5.331 ( -0.861 15.892 -2.922) 16.182 5.828 ( 3.748 4.937 4.636) 7.740 6.027 ( 1.790 13.669 -9.849) 16.942 6.154 ( 4.409 0.408 0.766) 4.493 6.260 ( 6.253 -2.055 -1.265) 6.702 6.704 ( -3.591 13.164 -0.296) 13.648 6.924 ( -3.880 -13.954 1.125) 14.527 7.031 ( -2.774 0.385 -4.450) 5.258 7.106 ( -1.806 -2.722 5.479) 6.379 7.324 ( 1.833 -5.909 9.208) 11.093 7.448 ( -3.751 1.961 -1.910) 4.643 7.533 ( -3.010 -0.175 -2.812) 4.123 7.757 ( 5.495 -3.626 1.593) 6.773 7.938 ( -5.235 -6.616 -5.560) 10.104 8.222 ( 1.686 -0.882 4.003) 4.432 8.325 ( -1.420 -0.413 5.424) 5.622 8.495 ( 4.294 0.773 -2.980) 5.284 8.610 ( 3.277 -9.184 4.561) 10.765 8.959 ( 5.087 -0.041 0.665) 5.130 9.152 ( -3.306 -5.364 -4.695) 7.858 9.605 ( -0.114 1.056 1.306) 1.683 10.278 ( -4.321 -4.122 3.696) 7.023 10.485 ( -1.625 -1.909 -1.987) 3.200 10.615 ( -1.584 4.022 -2.448) 4.968 10.840 ( -1.250 7.381 -3.140) 8.118 11.129 ( 0.931 -4.466 0.919) 4.654 11.266 ( 5.257 -0.279 -0.220) 5.269 11.348 ( -5.978 1.482 0.887) 6.223 11.676 ( -0.185 8.448 1.583) 8.597 11.896 ( 0.558 2.151 0.976) 2.427 11.940 ( -0.873 3.400 -2.949) 4.585 12.237 ( -0.924 -8.469 0.369) 8.528 12.306 ( -1.745 0.322 0.183) 1.784 12.430 ( 0.751 2.295 0.530) 2.472 12.472 ( 2.363 2.151 0.839) 3.304 12.762 ( 0.288 1.497 0.148) 1.531 12.780 ( 0.534 0.716 -0.333) 0.953 ======================= Grid point 254 (120/192) ======================= q-point: ( 0.30 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 12.707 13.479 -9.599) 20.863 2.728 ( 13.413 19.936 -6.908) 25.001 2.939 ( 7.988 11.038 9.376) 16.540 3.037 ( 13.281 12.011 9.429) 20.238 3.380 ( -12.137 5.635 -7.231) 15.210 3.699 ( -2.472 10.487 2.697) 11.107 3.815 ( 1.459 7.871 -0.187) 8.007 3.966 ( 5.340 6.831 -1.303) 8.768 4.699 ( -7.448 -9.902 7.102) 14.282 4.971 ( 0.667 -2.747 -0.697) 2.912 5.133 ( 1.649 6.996 -1.626) 7.370 5.292 ( -1.013 12.576 -1.117) 12.666 5.877 ( 0.456 6.497 -3.334) 7.317 5.946 ( 0.862 8.279 -7.634) 11.295 6.240 ( 5.191 1.440 -1.709) 5.652 6.370 ( 3.834 2.318 1.167) 4.630 6.607 ( -7.099 7.017 -2.215) 10.225 6.856 ( -2.402 6.357 0.577) 6.821 6.973 ( 0.392 -6.425 -0.635) 6.468 7.175 ( 2.694 -2.532 2.072) 4.238 7.293 ( -2.653 -0.756 -6.845) 7.380 7.432 ( -2.796 -5.379 6.989) 9.251 7.519 ( 0.394 0.136 3.461) 3.486 7.790 ( -4.185 -1.675 -4.075) 6.077 7.909 ( 7.628 -3.941 2.737) 9.012 8.258 ( -6.127 3.398 7.081) 9.961 8.289 ( -3.688 -0.574 -3.395) 5.046 8.550 ( 5.108 -0.511 -1.587) 5.373 8.770 ( 4.811 -6.418 4.990) 9.447 8.853 ( 0.838 -8.500 -2.886) 9.015 9.276 ( 6.704 -4.461 4.236) 9.099 9.533 ( -7.425 -1.366 -2.171) 7.855 10.241 ( -3.733 -3.820 3.850) 6.584 10.443 ( -0.962 -0.153 -1.480) 1.772 10.578 ( -0.403 5.007 -1.778) 5.328 10.772 ( -2.836 11.061 -1.517) 11.519 11.153 ( 0.924 -5.978 0.653) 6.084 11.250 ( -4.621 1.818 0.988) 5.063 11.400 ( 7.308 -1.166 0.830) 7.447 11.672 ( -1.010 9.515 0.200) 9.571 11.876 ( -1.332 4.744 -2.854) 5.695 11.940 ( 1.159 0.825 1.399) 1.995 12.227 ( -0.533 -10.320 -0.057) 10.334 12.258 ( -3.787 -0.586 -0.091) 3.833 12.445 ( 0.958 2.131 -0.107) 2.339 12.513 ( 1.509 3.624 0.157) 3.929 12.770 ( 0.401 1.550 0.167) 1.610 12.790 ( 0.605 1.537 0.085) 1.654 ======================= Grid point 255 (121/192) ======================= q-point: ( 0.40 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 12.512 10.937 -4.370) 17.184 2.893 ( 10.092 16.892 -5.599) 20.458 3.004 ( -5.120 14.298 0.855) 15.211 3.215 ( -0.740 10.771 -0.417) 10.804 3.342 ( 9.491 11.630 9.580) 17.808 3.649 ( -5.823 10.526 1.506) 12.124 3.811 ( -0.298 -3.770 -2.020) 4.288 4.017 ( 2.395 4.680 -3.204) 6.157 4.675 ( -5.055 -11.325 10.664) 16.357 4.986 ( 0.097 -1.081 1.156) 1.585 5.154 ( 3.454 8.555 -3.111) 9.736 5.277 ( 0.094 6.400 -0.634) 6.432 5.800 ( -1.280 10.978 -5.910) 12.534 5.937 ( 3.620 1.095 -6.605) 7.611 6.314 ( 4.936 1.831 -0.087) 5.266 6.404 ( -0.048 5.837 -1.118) 5.943 6.442 ( -5.555 -1.417 -3.646) 6.794 6.854 ( -1.606 14.449 3.855) 15.040 7.020 ( 3.500 -3.469 3.068) 5.805 7.105 ( -1.630 -0.112 -10.822) 10.945 7.266 ( -1.006 5.151 -6.362) 8.248 7.452 ( 2.233 -5.236 5.028) 7.595 7.564 ( -2.207 -1.615 6.251) 6.823 7.699 ( -2.286 2.096 -1.736) 3.554 7.984 ( -5.935 3.904 -1.505) 7.262 8.162 ( -6.742 -8.593 -1.603) 11.040 8.259 ( 6.549 -0.407 6.775) 9.432 8.642 ( 4.956 -2.885 -0.172) 5.737 8.781 ( 0.377 -7.681 2.834) 8.196 9.081 ( 11.779 -8.656 5.773) 15.716 9.306 ( -12.203 -0.033 -2.919) 12.547 9.392 ( 1.211 -5.524 2.142) 6.047 10.222 ( -2.312 -2.544 3.582) 4.965 10.414 ( -0.129 -0.178 -3.016) 3.024 10.579 ( 1.903 6.810 0.005) 7.071 10.720 ( -2.593 13.373 0.248) 13.624 11.163 ( -1.892 -3.767 1.464) 4.462 11.194 ( -0.852 -1.291 -0.436) 1.607 11.536 ( 6.123 1.050 0.611) 6.243 11.656 ( -0.731 5.767 0.002) 5.813 11.825 ( -1.149 6.494 -1.747) 6.822 11.968 ( 0.705 4.718 -0.637) 4.813 12.179 ( -3.670 -4.955 -0.342) 6.175 12.215 ( -0.700 -11.098 -0.381) 11.127 12.464 ( 1.027 2.115 0.173) 2.358 12.528 ( 0.455 4.477 -0.679) 4.551 12.780 ( 0.472 1.623 0.326) 1.722 12.800 ( 0.228 2.055 0.178) 2.075 ======================= Grid point 256 (122/192) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -13.094 10.992 3.493) 17.449 2.941 ( 4.167 10.535 -6.748) 13.186 3.066 ( 6.850 17.478 1.354) 18.821 3.230 ( 5.754 15.691 -5.002) 17.445 3.525 ( -5.609 13.143 5.889) 15.456 3.557 ( 2.676 4.722 3.891) 6.678 3.794 ( -0.506 -2.582 0.489) 2.676 3.973 ( -2.711 0.751 -5.196) 5.909 4.710 ( -3.027 -10.542 11.112) 15.613 4.988 ( -0.177 -1.014 -0.104) 1.035 5.205 ( 4.608 9.124 -2.202) 10.456 5.264 ( -0.228 5.353 -1.811) 5.656 5.761 ( 1.680 8.530 -2.848) 9.149 5.899 ( 0.668 4.348 -9.458) 10.431 6.315 ( -4.047 -3.080 0.739) 5.139 6.397 ( 0.589 1.891 -2.118) 2.900 6.488 ( 10.839 2.249 3.180) 11.517 6.802 ( -6.250 5.280 -4.955) 9.565 6.980 ( -1.533 3.481 -3.903) 5.449 7.164 ( 2.672 5.934 -6.369) 9.106 7.173 ( 4.754 4.223 5.545) 8.437 7.410 ( -9.813 5.488 -2.993) 11.635 7.579 ( -5.174 -2.614 5.657) 8.100 7.710 ( 5.398 3.053 -0.401) 6.214 7.888 ( 0.278 -0.448 2.746) 2.796 8.024 ( -5.862 -8.642 -2.629) 10.769 8.492 ( 6.496 -6.101 7.798) 11.842 8.692 ( 0.278 -4.537 -1.860) 4.911 8.865 ( 4.655 -2.565 5.373) 7.558 9.006 ( -12.265 -5.352 -2.626) 13.637 9.347 ( 7.964 -4.271 3.255) 9.605 9.388 ( -2.968 -6.543 0.639) 7.213 10.228 ( -0.869 -1.517 3.645) 4.043 10.389 ( 1.980 -0.359 -4.263) 4.714 10.630 ( -0.012 7.104 1.755) 7.318 10.683 ( 1.207 14.691 -0.997) 14.774 11.139 ( -1.713 -1.190 1.569) 2.610 11.195 ( 0.958 -2.409 -0.569) 2.654 11.602 ( -1.904 4.277 0.660) 4.728 11.634 ( 0.729 0.295 -0.564) 0.968 11.842 ( 3.783 8.157 0.622) 9.012 11.925 ( -3.030 8.329 -3.291) 9.454 12.154 ( 0.446 -9.667 0.937) 9.723 12.197 ( -0.284 -11.142 -1.082) 11.198 12.481 ( 0.324 2.562 0.657) 2.664 12.518 ( -0.528 4.439 -1.113) 4.607 12.792 ( 0.271 2.078 0.441) 2.142 12.800 ( -0.183 1.660 -0.014) 1.670 ======================= Grid point 257 (123/192) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -18.636 14.699 4.354) 24.131 2.789 ( -13.673 14.818 -1.885) 20.250 3.174 ( 2.709 14.006 -0.642) 14.280 3.266 ( 2.484 18.134 -7.203) 19.670 3.548 ( 4.398 2.075 7.348) 8.811 3.636 ( -0.311 -1.821 -2.541) 3.142 3.809 ( 2.310 9.333 3.832) 10.350 3.831 ( -8.768 6.308 -2.352) 11.055 4.775 ( -0.858 -8.982 9.169) 12.864 4.982 ( 0.537 -4.005 -2.598) 4.804 5.217 ( 0.105 5.727 -0.229) 5.732 5.308 ( 6.730 9.904 -3.422) 12.454 5.745 ( -1.710 4.237 -4.041) 6.099 5.837 ( 1.765 10.775 -4.493) 11.807 6.276 ( -1.927 -4.454 0.833) 4.924 6.395 ( 0.601 0.279 -1.617) 1.747 6.585 ( -4.204 2.636 -9.761) 10.950 6.728 ( 7.867 -0.923 6.195) 10.056 7.004 ( 3.880 7.138 2.874) 8.617 7.110 ( 1.620 7.493 -7.195) 10.514 7.165 ( -11.377 1.182 -3.345) 11.918 7.407 ( 6.851 3.008 11.590) 13.795 7.506 ( -3.910 2.096 2.048) 4.886 7.799 ( 3.225 4.122 -1.623) 5.479 7.912 ( -3.695 -6.791 -0.681) 7.761 8.025 ( 7.803 -5.307 5.378) 10.861 8.524 ( -11.742 -2.637 -5.248) 13.129 8.588 ( -2.167 -8.989 2.262) 9.519 8.841 ( -3.976 -3.485 1.395) 5.468 9.104 ( 11.350 -3.498 6.134) 13.367 9.246 ( -9.959 -5.292 -1.670) 11.401 9.472 ( 2.653 -3.532 -0.924) 4.513 10.260 ( 0.860 -1.407 3.228) 3.625 10.417 ( 5.085 -1.116 -3.903) 6.507 10.589 ( -2.316 9.207 -0.260) 9.498 10.759 ( 5.046 11.567 -1.113) 12.669 11.133 ( -0.216 0.288 1.612) 1.652 11.218 ( 1.767 -2.753 -0.336) 3.289 11.523 ( -5.601 -0.649 1.106) 5.746 11.655 ( -0.017 6.367 0.008) 6.367 11.841 ( -1.669 5.974 -2.729) 6.776 11.932 ( 4.386 7.184 0.929) 8.468 12.174 ( 0.685 -8.528 0.021) 8.555 12.205 ( 2.152 -10.548 -0.264) 10.769 12.485 ( -1.086 2.760 -0.154) 2.970 12.493 ( -0.733 3.834 0.173) 3.907 12.789 ( -0.598 1.373 0.003) 1.498 12.802 ( 0.047 1.951 0.134) 1.956 ======================= Grid point 258 (124/192) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -18.961 19.918 6.647) 28.291 2.477 ( -20.164 18.437 2.445) 27.431 3.176 ( -0.849 9.054 -2.872) 9.537 3.215 ( -2.768 17.894 -0.649) 18.119 3.511 ( -5.614 4.103 -5.868) 9.099 3.567 ( -15.208 19.972 1.050) 25.124 3.742 ( 6.891 0.380 3.580) 7.775 3.950 ( 6.418 6.921 1.790) 9.607 4.844 ( 0.179 -8.716 5.738) 10.437 4.945 ( -0.767 -3.766 -3.582) 5.253 5.255 ( 3.913 2.197 -1.331) 4.681 5.382 ( 6.500 9.310 -7.262) 13.478 5.690 ( -0.653 8.540 0.246) 8.568 5.812 ( -2.789 7.276 -0.243) 7.796 6.208 ( -3.148 1.212 -3.706) 5.011 6.402 ( 1.604 -5.527 0.859) 5.819 6.570 ( 6.176 3.172 -0.942) 7.006 6.858 ( 0.047 2.949 5.905) 6.601 6.972 ( -5.909 -6.067 -2.090) 8.723 7.066 ( 4.017 4.466 -5.314) 8.020 7.178 ( 6.761 9.411 4.511) 12.435 7.462 ( -3.446 -2.031 7.122) 8.168 7.644 ( 7.122 4.605 3.676) 9.244 7.750 ( -1.766 -4.347 -6.387) 7.925 7.902 ( -3.287 -1.941 4.228) 5.696 8.172 ( -0.557 -0.540 0.522) 0.935 8.328 ( 1.319 -1.914 1.765) 2.919 8.530 ( -5.178 -9.730 0.163) 11.023 8.769 ( -6.031 -4.235 0.097) 7.370 8.998 ( -12.023 -8.542 -3.597) 15.181 9.369 ( 7.958 -1.438 5.123) 9.573 9.441 ( -2.156 1.286 -2.953) 3.876 10.321 ( 2.346 -1.392 2.537) 3.725 10.473 ( 4.731 -2.299 -3.283) 6.200 10.579 ( 2.742 6.794 -2.050) 7.608 10.799 ( 1.478 9.762 -2.539) 10.195 11.163 ( 1.214 -0.383 0.495) 1.366 11.253 ( 2.994 -2.083 0.451) 3.675 11.427 ( -6.029 -2.754 0.189) 6.631 11.648 ( 0.112 9.999 1.061) 10.056 11.823 ( 0.547 3.772 -0.517) 3.846 11.998 ( 2.976 3.317 -1.349) 4.656 12.201 ( 1.688 -5.702 0.849) 6.007 12.250 ( 2.897 -7.405 0.358) 7.960 12.447 ( -1.891 1.860 -0.567) 2.713 12.491 ( -0.860 3.309 1.240) 3.637 12.778 ( -0.569 0.683 -0.089) 0.894 12.798 ( -0.507 1.974 -0.160) 2.044 ======================= Grid point 259 (125/192) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -15.851 25.229 10.346) 31.540 2.139 ( -21.778 21.526 7.889) 31.622 3.047 ( -6.784 16.721 -5.281) 18.801 3.126 ( -11.109 21.486 4.882) 24.676 3.302 ( -7.588 14.503 -9.230) 18.791 3.481 ( 0.603 16.411 9.173) 18.810 3.867 ( 4.392 2.238 -0.573) 4.963 4.041 ( 4.204 1.564 -2.288) 5.036 4.874 ( -2.025 -10.444 3.309) 11.141 4.934 ( 4.409 0.634 -2.946) 5.340 5.289 ( 2.792 0.285 -4.533) 5.332 5.391 ( 3.548 9.167 -9.435) 13.625 5.725 ( -0.580 12.153 5.800) 13.478 5.774 ( -1.496 2.706 3.827) 4.920 6.132 ( -2.767 0.849 -1.051) 3.079 6.410 ( -0.531 -3.740 -3.968) 5.478 6.690 ( 4.219 2.979 1.195) 5.301 6.873 ( -0.893 4.334 3.452) 5.612 6.939 ( 3.922 -8.086 0.529) 9.002 7.175 ( 8.378 4.277 3.407) 10.005 7.300 ( 3.692 1.332 -1.071) 4.068 7.488 ( -2.481 -3.648 8.742) 9.793 7.651 ( -3.286 -3.331 -6.976) 8.400 7.730 ( 2.161 0.374 -1.226) 2.513 7.792 ( -8.536 3.609 0.870) 9.309 8.170 ( -0.023 -7.127 2.707) 7.624 8.381 ( -4.813 -1.031 2.958) 5.743 8.506 ( -1.519 1.797 -2.128) 3.172 8.677 ( 1.215 -8.407 8.652) 12.124 8.803 ( -5.455 -7.542 -2.952) 9.765 9.253 ( -10.360 -0.646 -5.313) 11.661 9.555 ( 3.964 2.230 3.202) 5.562 10.374 ( 0.771 -1.140 1.664) 2.159 10.538 ( 6.140 -3.447 -2.897) 7.614 10.630 ( 5.532 4.021 -4.484) 8.178 10.789 ( -0.040 6.968 -0.943) 7.032 11.166 ( 0.218 -3.333 -1.269) 3.573 11.302 ( -3.640 0.404 -2.356) 4.355 11.355 ( 3.769 -3.608 1.480) 5.424 11.684 ( 1.669 11.029 1.291) 11.229 11.828 ( -0.290 3.683 0.744) 3.769 12.022 ( 2.536 -0.556 -3.522) 4.375 12.228 ( 0.670 -8.177 0.393) 8.214 12.311 ( 2.174 0.112 0.415) 2.216 12.426 ( 0.170 1.440 0.738) 1.627 12.480 ( -1.572 2.246 0.771) 2.847 12.767 ( -0.616 0.829 -0.009) 1.033 12.782 ( -0.801 1.187 -0.411) 1.489 ======================= Grid point 260 (126/192) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -8.379 27.210 16.285) 32.799 1.905 ( -14.185 25.330 14.704) 32.543 2.882 ( -2.921 15.256 -11.073) 19.076 2.964 ( -6.885 26.248 -6.202) 27.836 3.127 ( -8.646 29.302 9.814) 32.089 3.618 ( 2.159 5.105 8.575) 10.210 3.887 ( 1.149 8.651 -4.390) 9.769 4.068 ( 2.504 -2.241 -4.487) 5.606 4.882 ( -0.458 -7.253 3.784) 8.193 5.021 ( 7.718 2.504 -2.511) 8.494 5.286 ( 1.992 0.067 -4.393) 4.823 5.331 ( -1.363 8.276 -6.760) 10.773 5.723 ( -4.189 9.446 4.585) 11.304 5.850 ( 1.744 2.837 6.992) 7.744 6.092 ( -0.831 -2.952 0.108) 3.069 6.318 ( -0.225 5.081 -10.653) 11.805 6.736 ( 1.603 -2.547 0.732) 3.097 6.908 ( -0.232 3.339 5.049) 6.057 7.099 ( 8.274 -3.231 1.719) 9.047 7.299 ( 0.391 -4.836 -3.846) 6.191 7.345 ( 2.423 6.277 3.735) 7.696 7.452 ( -8.748 -1.766 -6.183) 10.857 7.534 ( -0.148 -6.541 5.066) 8.274 7.686 ( -5.293 3.138 2.334) 6.581 7.797 ( 6.770 -6.299 4.467) 10.269 8.182 ( 0.155 -2.228 1.611) 2.754 8.324 ( -5.155 -6.950 3.436) 9.311 8.393 ( -4.910 2.799 0.622) 5.686 8.706 ( -2.860 -8.004 -4.373) 9.558 8.923 ( 0.549 -3.069 1.198) 3.340 9.007 ( -1.758 1.630 5.269) 5.789 9.595 ( -0.982 3.577 0.708) 3.776 10.379 ( -1.475 -1.631 1.343) 2.577 10.611 ( 5.722 -7.283 -7.937) 12.198 10.688 ( 5.324 6.029 -1.630) 8.207 10.784 ( -0.879 4.072 0.744) 4.232 11.161 ( 0.654 -3.064 -1.575) 3.507 11.204 ( -3.258 -2.941 -2.857) 5.236 11.457 ( 5.241 -0.943 0.614) 5.360 11.701 ( -0.669 10.344 -0.694) 10.389 11.833 ( -0.491 3.973 1.990) 4.471 12.027 ( 2.486 -1.022 -4.661) 5.381 12.247 ( 1.068 -7.559 0.877) 7.685 12.330 ( 0.580 0.653 0.126) 0.882 12.439 ( -0.267 3.411 -0.462) 3.453 12.445 ( -2.687 0.571 -0.448) 2.783 12.757 ( -0.555 1.295 0.275) 1.436 12.769 ( -0.136 0.387 -0.143) 0.435 ======================= Grid point 261 (127/192) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -1.258 24.367 13.683) 27.974 2.474 ( 0.390 26.357 13.582) 29.653 3.020 ( 1.736 16.052 -14.366) 21.611 3.114 ( -0.837 13.331 -18.647) 22.938 3.632 ( -0.361 1.796 9.213) 9.394 3.885 ( -0.565 6.057 -0.817) 6.138 4.150 ( 1.315 27.156 6.224) 27.891 4.269 ( -3.367 23.317 0.490) 23.564 4.679 ( -1.796 -17.718 7.221) 19.217 4.953 ( 3.776 -17.133 -5.527) 18.394 5.358 ( -0.695 4.601 -0.827) 4.726 5.377 ( 2.476 5.915 -1.193) 6.522 5.789 ( -1.652 -1.018 2.326) 3.029 5.925 ( -1.315 -1.321 1.250) 2.244 6.110 ( 1.892 3.389 2.162) 4.443 6.438 ( 7.053 4.825 -9.963) 13.126 6.735 ( 1.625 0.863 1.645) 2.468 6.963 ( -4.602 0.954 -7.351) 8.725 7.028 ( -0.015 -1.289 6.496) 6.623 7.193 ( -2.027 3.094 -3.882) 5.362 7.348 ( -6.890 1.713 3.755) 8.031 7.452 ( 0.105 -3.452 9.565) 10.170 7.564 ( 4.239 4.571 0.436) 6.250 7.738 ( -2.313 8.714 -4.552) 10.100 7.935 ( 10.443 -1.988 4.386) 11.500 8.129 ( -1.602 -5.881 -1.866) 6.375 8.297 ( -7.376 0.538 0.904) 7.450 8.409 ( 5.311 2.855 1.141) 6.137 8.462 ( -1.140 -4.038 -0.186) 4.200 8.654 ( -9.137 4.825 -6.448) 12.180 9.357 ( 7.892 -1.453 10.469) 13.191 9.619 ( -3.315 2.824 -2.467) 5.005 10.313 ( -2.255 -2.784 0.720) 3.655 10.440 ( 2.645 -5.427 -3.715) 7.089 10.690 ( 0.379 -7.166 0.047) 7.176 10.829 ( 1.952 -0.147 -3.926) 4.387 11.068 ( -3.300 -2.259 -0.192) 4.004 11.149 ( 1.300 2.285 -2.021) 3.316 11.561 ( 4.963 -1.485 4.877) 7.115 11.736 ( -4.810 -0.365 -3.961) 6.242 11.881 ( -2.314 2.363 1.278) 3.545 12.002 ( 3.039 -0.848 -3.124) 4.440 12.222 ( 4.530 -3.345 4.011) 6.914 12.333 ( -4.927 -2.110 -1.961) 5.707 12.408 ( 0.955 3.180 2.097) 3.927 12.505 ( -1.118 5.811 -2.585) 6.458 12.755 ( 0.007 -1.641 0.609) 1.751 12.775 ( 0.088 0.544 -0.490) 0.737 ======================= Grid point 262 (128/192) ======================= q-point: ( 0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 3.232 20.657 14.159) 25.251 2.668 ( 5.040 19.571 14.455) 24.847 2.936 ( 4.260 17.943 -14.397) 23.396 2.959 ( 4.729 16.129 -16.502) 23.555 3.708 ( -1.296 -1.128 8.926) 9.090 3.856 ( -0.298 0.911 -5.264) 5.350 4.179 ( -3.901 23.998 1.227) 24.344 4.251 ( 0.837 28.331 4.550) 28.706 4.669 ( -6.670 -16.498 6.355) 18.896 4.918 ( 0.036 -13.600 -6.763) 15.189 5.292 ( -1.060 5.686 -1.838) 6.069 5.542 ( 9.687 5.941 -2.257) 11.586 5.799 ( 0.964 -0.493 5.215) 5.326 5.922 ( 1.339 -2.589 -1.431) 3.247 6.181 ( 3.128 2.047 3.225) 4.937 6.444 ( 5.071 8.126 -13.364) 16.442 6.727 ( -4.104 -2.075 1.316) 4.783 6.846 ( -0.957 -0.597 -3.476) 3.654 7.099 ( 0.072 -2.455 6.007) 6.490 7.138 ( -1.286 5.353 0.290) 5.513 7.254 ( -6.310 6.527 4.981) 10.355 7.510 ( -5.541 -1.947 4.413) 7.347 7.629 ( 7.362 3.926 -0.444) 8.355 7.710 ( -1.188 4.302 -1.180) 4.616 7.978 ( -5.955 -5.420 -9.487) 12.443 8.080 ( 1.145 -4.124 2.390) 4.902 8.252 ( -2.697 0.457 5.442) 6.091 8.404 ( 2.168 -4.251 0.953) 4.866 8.529 ( 3.095 5.148 -1.677) 6.236 8.690 ( 12.183 2.643 5.002) 13.433 9.434 ( -9.049 0.179 -4.133) 9.950 9.555 ( 1.714 -1.806 3.551) 4.338 10.265 ( -3.707 -0.982 0.772) 3.912 10.457 ( 2.469 -2.169 -2.862) 4.358 10.673 ( -1.773 -2.607 -0.089) 3.154 10.830 ( 1.979 -5.927 -4.647) 7.787 11.047 ( 0.694 -1.401 2.831) 3.234 11.186 ( 4.112 1.562 -1.195) 4.559 11.568 ( -7.272 2.244 -3.519) 8.384 11.703 ( 3.255 -0.348 4.118) 5.261 11.857 ( -1.618 -1.687 1.963) 3.053 12.011 ( 1.502 0.501 -3.967) 4.271 12.207 ( -5.770 -2.989 -2.075) 6.821 12.326 ( 1.474 -1.408 3.517) 4.065 12.447 ( 1.680 3.230 0.435) 3.667 12.486 ( 1.452 5.537 -0.414) 5.739 12.760 ( 0.231 -1.053 0.419) 1.157 12.781 ( 0.844 0.223 -0.461) 0.987 ======================= Grid point 263 (129/192) ======================= q-point: ( 0.20 0.30 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 4.861 18.261 0.979) 18.922 2.889 ( 9.380 13.563 1.538) 16.562 2.950 ( 8.623 14.288 -0.269) 16.690 3.017 ( 9.813 16.530 -0.202) 19.224 3.686 ( -6.483 0.081 -3.981) 7.608 3.796 ( -2.744 -1.565 2.737) 4.180 4.139 ( -0.606 19.104 -0.281) 19.116 4.291 ( -1.207 27.211 3.137) 27.418 4.577 ( -8.988 -13.584 5.552) 17.209 4.858 ( 0.418 -10.152 -5.604) 11.604 5.272 ( 1.044 6.440 -2.520) 6.994 5.572 ( -2.063 5.297 -2.776) 6.326 5.913 ( 2.595 3.795 0.753) 4.659 6.018 ( 11.727 -4.049 1.909) 12.553 6.285 ( 5.232 -0.104 2.241) 5.693 6.345 ( -1.066 10.395 -13.020) 16.694 6.681 ( -2.351 -6.565 0.889) 7.029 6.803 ( 0.396 -1.977 -5.667) 6.015 7.097 ( -2.310 1.253 4.487) 5.200 7.152 ( -1.571 10.024 -0.942) 10.190 7.271 ( -0.453 1.409 12.176) 12.266 7.452 ( -3.223 -2.894 4.073) 5.946 7.561 ( -7.835 4.421 -7.387) 11.641 7.788 ( 5.092 4.126 3.533) 7.445 7.837 ( -0.090 -1.631 -5.638) 5.870 8.136 ( 3.876 -3.835 1.259) 5.596 8.259 ( -1.966 -2.189 4.781) 5.614 8.477 ( 3.451 -2.761 2.544) 5.100 8.633 ( 6.765 3.802 0.133) 7.762 8.956 ( 9.171 -0.293 3.872) 9.959 9.151 ( -11.605 3.522 -7.938) 14.494 9.581 ( -3.343 -4.833 2.816) 6.517 10.211 ( -3.073 -0.423 1.668) 3.522 10.468 ( 0.849 0.774 -1.389) 1.802 10.647 ( -0.039 0.027 -1.114) 1.115 10.816 ( 0.697 -7.591 -1.873) 7.849 11.105 ( 1.764 1.525 0.950) 2.518 11.273 ( 6.026 0.825 -0.002) 6.083 11.399 ( -7.062 1.931 -2.408) 7.707 11.769 ( -0.515 0.345 3.759) 3.810 11.873 ( 1.106 -2.335 1.797) 3.147 11.976 ( -0.403 0.588 -4.566) 4.622 12.104 ( -3.872 -5.040 -1.220) 6.472 12.325 ( -3.060 -0.244 1.239) 3.311 12.494 ( 2.404 3.765 -0.749) 4.529 12.531 ( 2.830 4.249 1.498) 5.320 12.776 ( 1.087 -0.165 0.180) 1.114 12.794 ( 0.942 0.604 0.084) 1.123 ======================= Grid point 264 (130/192) ======================= q-point: ( 0.30 0.30 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 8.370 17.446 -4.935) 19.969 3.057 ( 12.661 12.442 -7.185) 19.150 3.170 ( 8.053 10.741 8.993) 16.159 3.227 ( 7.682 7.600 6.491) 12.606 3.479 ( -7.342 4.650 -7.718) 11.623 3.777 ( -3.167 -1.836 3.812) 5.286 4.107 ( -2.815 18.229 -1.851) 18.538 4.276 ( -3.698 16.508 3.112) 17.201 4.489 ( -6.521 -6.856 6.857) 11.685 4.837 ( 2.298 -9.149 -3.264) 9.982 5.280 ( 2.400 6.175 -2.099) 6.949 5.473 ( -5.043 3.136 -2.746) 6.543 5.952 ( 2.636 4.789 -2.118) 5.862 6.186 ( -3.154 8.729 -8.703) 12.723 6.228 ( 6.793 1.042 3.060) 7.523 6.398 ( 6.754 -1.597 -4.512) 8.278 6.599 ( -6.287 -3.569 -2.282) 7.581 6.792 ( 5.115 -6.579 -4.845) 9.639 7.069 ( -4.092 5.845 3.972) 8.166 7.196 ( 4.252 5.921 4.094) 8.360 7.322 ( -1.789 3.070 -5.270) 6.356 7.410 ( -4.720 3.791 3.328) 6.908 7.498 ( 3.943 -2.598 6.123) 7.733 7.769 ( -0.319 -0.725 -0.166) 0.810 7.901 ( -0.404 6.143 0.541) 6.180 8.209 ( 4.239 -1.280 -1.232) 4.597 8.286 ( -1.606 -3.056 5.959) 6.887 8.601 ( 3.263 -3.205 4.207) 6.214 8.664 ( -2.808 -4.101 -2.028) 5.368 8.863 ( 1.234 11.000 -6.664) 12.920 9.197 ( 5.487 -3.286 4.813) 8.004 9.480 ( -9.756 -5.576 0.718) 11.260 10.194 ( -1.358 1.272 2.998) 3.529 10.461 ( -0.128 2.274 -1.369) 2.657 10.652 ( 1.601 2.907 -0.352) 3.337 10.835 ( 1.895 -5.456 0.738) 5.823 11.104 ( -1.424 2.473 -0.662) 2.929 11.285 ( -4.443 1.264 -0.284) 4.628 11.395 ( 7.151 0.512 0.143) 7.171 11.773 ( -1.629 -1.078 1.203) 2.294 11.895 ( -0.329 -1.493 0.766) 1.710 11.941 ( 1.125 0.557 -2.748) 3.021 12.037 ( -2.315 -7.444 -1.184) 7.885 12.260 ( -4.969 -1.694 0.381) 5.263 12.513 ( 1.132 4.934 -0.797) 5.124 12.597 ( 2.915 4.536 0.284) 5.400 12.793 ( 0.960 0.599 -0.410) 1.203 12.820 ( 1.083 1.347 0.990) 1.992 ======================= Grid point 265 (131/192) ======================= q-point: ( 0.40 0.30 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 7.632 14.333 -2.426) 16.419 3.142 ( 1.460 9.500 -6.215) 11.446 3.313 ( -0.193 12.721 5.157) 13.728 3.354 ( 3.597 5.225 0.439) 6.359 3.454 ( 10.610 1.197 -1.054) 10.729 3.739 ( -4.013 -3.072 -0.497) 5.078 4.026 ( -3.796 21.040 0.581) 21.388 4.220 ( -5.287 8.863 2.772) 10.686 4.478 ( -3.843 -2.622 9.207) 10.315 4.865 ( 2.834 -9.114 -2.431) 9.849 5.309 ( 3.126 4.992 -3.430) 6.816 5.380 ( -2.403 2.952 0.464) 3.835 5.944 ( -0.040 5.176 -4.935) 7.152 6.092 ( 0.178 9.380 -4.354) 10.343 6.329 ( 0.090 -0.109 3.916) 3.919 6.410 ( 2.344 -0.535 -7.860) 8.220 6.495 ( 0.440 2.007 -3.572) 4.120 6.853 ( 3.030 -7.624 0.129) 8.205 7.014 ( -4.356 1.938 -3.295) 5.795 7.257 ( 0.902 4.046 -5.529) 6.911 7.347 ( 6.750 0.074 5.473) 8.691 7.351 ( -1.358 8.518 -1.039) 8.687 7.623 ( -1.105 3.075 5.726) 6.593 7.770 ( 0.219 5.415 -1.996) 5.775 7.866 ( -0.900 -7.285 3.406) 8.092 8.136 ( -12.682 0.895 -2.928) 13.047 8.333 ( 5.569 4.977 2.729) 7.952 8.560 ( 0.588 -5.659 4.516) 7.264 8.810 ( 6.560 5.144 1.345) 8.444 8.938 ( 7.699 -0.634 0.408) 7.736 9.254 ( -9.500 -6.542 -1.077) 11.585 9.298 ( -2.701 -4.108 3.515) 6.044 10.211 ( -0.680 3.014 3.857) 4.942 10.436 ( -0.148 2.574 -2.929) 3.902 10.704 ( 2.549 6.084 2.519) 7.061 10.881 ( 2.043 -0.067 0.298) 2.066 11.075 ( -1.343 -0.585 1.093) 1.827 11.211 ( -3.551 1.409 -0.039) 3.820 11.528 ( 7.277 -0.684 -0.292) 7.315 11.723 ( -3.973 -0.417 -0.776) 4.070 11.908 ( 1.337 -5.090 -0.365) 5.275 11.946 ( 1.776 2.593 -1.081) 3.324 11.997 ( -1.007 -9.262 -0.880) 9.358 12.154 ( -6.123 -1.734 -1.039) 6.447 12.531 ( 1.251 5.070 0.107) 5.224 12.632 ( 1.238 5.372 -1.015) 5.606 12.808 ( 0.971 0.933 -0.046) 1.348 12.840 ( 0.097 1.782 0.612) 1.887 ======================= Grid point 266 (132/192) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -9.268 12.353 2.215) 15.601 3.135 ( 3.665 8.682 -5.259) 10.792 3.334 ( 0.049 9.535 2.868) 9.957 3.470 ( 7.363 9.115 -1.413) 11.803 3.578 ( 4.450 -1.958 -3.409) 5.938 3.620 ( -5.470 -2.024 -2.068) 6.188 4.028 ( 0.260 18.486 5.646) 19.330 4.147 ( -3.831 11.609 0.679) 12.244 4.520 ( -2.363 -3.473 10.304) 11.127 4.860 ( 0.459 -9.215 -4.567) 10.294 5.342 ( 3.025 3.662 -1.015) 4.857 5.388 ( 2.540 5.028 -1.338) 5.790 5.903 ( 0.612 5.842 -2.575) 6.414 6.058 ( 1.081 6.863 -6.052) 9.214 6.284 ( -5.729 1.172 2.166) 6.236 6.431 ( 5.471 0.759 -6.103) 8.231 6.559 ( 6.923 3.446 2.642) 8.172 6.833 ( -7.859 -0.528 -9.906) 12.655 6.910 ( 1.516 -4.386 4.401) 6.396 7.159 ( -2.797 -2.457 -8.006) 8.830 7.375 ( -0.597 7.778 3.799) 8.677 7.483 ( -3.734 0.902 2.079) 4.368 7.594 ( 2.783 6.005 3.866) 7.665 7.781 ( 1.274 3.917 -3.891) 5.666 7.893 ( -1.108 -3.127 2.666) 4.256 7.919 ( -3.785 0.863 -0.358) 3.898 8.489 ( 4.107 4.892 6.038) 8.790 8.641 ( 1.616 -1.213 2.793) 3.447 8.857 ( -3.246 -2.658 -0.060) 4.196 8.946 ( -2.944 4.800 -1.371) 5.795 9.224 ( 6.881 -8.760 2.970) 11.529 9.271 ( -4.068 -5.652 0.682) 6.997 10.237 ( -1.177 3.447 4.497) 5.787 10.415 ( 2.285 3.479 -4.374) 6.038 10.759 ( -1.485 5.319 4.484) 7.114 10.907 ( 3.158 7.133 -2.955) 8.342 11.086 ( 0.070 -3.587 3.077) 4.726 11.168 ( -1.013 0.517 -0.173) 1.151 11.608 ( -4.123 -1.471 0.366) 4.393 11.660 ( 3.888 -0.476 -1.769) 4.298 11.921 ( 0.629 -4.827 0.039) 4.868 11.972 ( 0.282 -8.152 -1.281) 8.257 12.006 ( 3.895 -1.992 0.034) 4.375 12.033 ( -4.893 0.624 -2.209) 5.405 12.557 ( 0.726 5.324 1.162) 5.497 12.621 ( -0.716 5.372 -1.897) 5.742 12.827 ( 0.831 1.272 0.396) 1.570 12.834 ( -0.992 1.506 0.089) 1.806 ======================= Grid point 267 (133/192) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -12.858 16.268 3.496) 21.029 3.035 ( -10.898 10.573 0.050) 15.184 3.356 ( 0.601 4.503 -3.770) 5.904 3.509 ( -1.608 4.234 -2.054) 4.973 3.594 ( 3.461 2.376 5.154) 6.648 3.629 ( 5.562 2.684 -6.812) 9.194 4.059 ( -0.863 16.096 2.389) 16.295 4.163 ( 2.399 16.120 3.415) 16.652 4.572 ( -3.348 -5.772 10.179) 12.171 4.819 ( 1.043 -9.683 -5.785) 11.327 5.339 ( -0.036 4.777 -3.163) 5.730 5.465 ( 7.151 4.570 -3.336) 9.119 5.888 ( -1.128 7.690 -0.757) 7.809 6.059 ( 3.966 7.522 -4.359) 9.555 6.195 ( -4.776 -1.715 1.350) 5.251 6.459 ( 0.821 5.151 -2.669) 5.859 6.581 ( -4.460 -1.708 -9.202) 10.368 6.730 ( 3.622 -1.094 3.508) 5.160 7.021 ( 4.200 -2.228 7.559) 8.930 7.041 ( -2.471 -1.838 -4.641) 5.570 7.305 ( -5.120 3.054 0.639) 5.996 7.445 ( -4.154 2.824 3.508) 6.127 7.614 ( 0.407 4.271 0.602) 4.332 7.817 ( -0.816 2.900 -1.060) 3.194 7.937 ( 1.268 2.543 0.383) 2.867 7.964 ( 10.193 -1.310 3.722) 10.930 8.505 ( -10.357 -0.198 -4.010) 11.108 8.547 ( -4.042 5.754 4.466) 8.330 8.813 ( -2.589 0.118 1.247) 2.876 8.996 ( 0.206 -3.162 -0.701) 3.246 9.195 ( 0.621 -2.885 1.791) 3.452 9.367 ( 5.530 -7.577 0.203) 9.382 10.253 ( -0.873 1.396 3.118) 3.526 10.441 ( 4.396 4.542 -3.556) 7.253 10.726 ( -4.496 4.562 1.713) 6.631 10.952 ( 3.572 6.712 -2.776) 8.094 11.124 ( 0.913 -2.403 3.066) 4.001 11.160 ( 0.395 -0.694 -1.105) 1.363 11.496 ( -6.587 -2.064 0.748) 6.943 11.728 ( 3.681 0.817 -0.939) 3.886 11.900 ( -3.226 -2.736 0.486) 4.258 11.958 ( -0.505 -5.290 -1.456) 5.510 11.997 ( 3.375 -5.980 -1.980) 7.146 12.096 ( 5.303 -0.329 1.269) 5.462 12.560 ( -2.162 4.558 -0.451) 5.065 12.590 ( -0.370 5.810 0.079) 5.822 12.808 ( -1.647 0.637 -0.022) 1.767 12.844 ( 0.331 1.755 0.429) 1.837 ======================= Grid point 268 (134/192) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -12.163 21.680 5.657) 25.495 2.799 ( -15.961 14.435 3.458) 21.797 3.316 ( -1.366 5.503 -2.329) 6.130 3.440 ( -2.084 4.012 -2.162) 5.011 3.621 ( 2.891 6.697 -10.911) 13.125 3.739 ( 4.628 0.910 6.969) 8.415 4.065 ( 0.057 22.366 -1.345) 22.407 4.238 ( 0.980 17.050 5.377) 17.905 4.589 ( -4.790 -10.758 8.802) 14.702 4.790 ( 2.305 -10.328 -6.109) 12.219 5.318 ( 1.941 3.891 -4.396) 6.183 5.548 ( 6.844 5.098 -5.879) 10.363 5.884 ( 0.594 8.191 1.829) 8.414 5.972 ( -8.397 6.120 -0.013) 10.390 6.246 ( 6.657 -0.130 -1.000) 6.733 6.320 ( -9.305 0.837 -0.976) 9.393 6.589 ( 6.608 -0.449 -2.490) 7.076 6.744 ( -1.277 -8.466 -0.692) 8.590 6.987 ( -3.724 4.161 6.876) 8.858 7.166 ( 5.578 3.347 -1.382) 6.650 7.300 ( 1.300 4.908 2.044) 5.474 7.415 ( -0.877 -1.356 3.668) 4.008 7.671 ( 3.145 3.190 1.333) 4.674 7.743 ( -4.227 -1.420 -2.573) 5.148 7.932 ( -0.577 1.284 -0.902) 1.672 8.200 ( 5.034 1.553 3.063) 6.094 8.333 ( -0.795 2.127 0.005) 2.271 8.485 ( -6.207 5.779 4.199) 9.463 8.749 ( -4.709 0.368 0.091) 4.724 8.826 ( -10.784 -5.051 -4.684) 12.796 9.298 ( 1.213 -5.511 0.356) 5.654 9.473 ( 7.816 -0.696 0.981) 7.908 10.273 ( 0.776 -2.794 1.002) 3.068 10.480 ( 2.708 4.701 -2.559) 5.998 10.664 ( -2.241 1.634 -0.683) 2.856 10.945 ( -0.638 4.038 -3.612) 5.456 11.135 ( 0.004 -0.406 -2.356) 2.391 11.196 ( 1.320 -4.102 4.294) 6.083 11.404 ( -3.752 0.476 -0.449) 3.809 11.786 ( 3.262 2.230 0.788) 4.029 11.867 ( -1.347 0.160 1.701) 2.176 11.946 ( 1.252 -4.973 -2.443) 5.680 12.032 ( 2.319 -7.791 -2.136) 8.405 12.221 ( 5.953 -1.019 2.551) 6.556 12.497 ( -3.330 3.372 -0.621) 4.780 12.587 ( -0.974 6.233 0.769) 6.356 12.780 ( -1.407 -0.298 0.231) 1.457 12.844 ( -0.686 2.024 0.003) 2.137 ======================= Grid point 269 (135/192) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -9.983 26.319 7.495) 29.130 2.561 ( -14.787 20.452 6.462) 26.052 3.236 ( -3.239 6.758 -4.675) 8.833 3.445 ( 2.382 7.194 0.511) 7.595 3.521 ( -0.808 8.846 -12.286) 15.161 3.869 ( 2.523 -0.337 5.301) 5.880 4.043 ( -1.288 28.769 1.021) 28.816 4.289 ( -0.336 20.423 3.457) 20.717 4.588 ( -3.341 -15.704 7.369) 17.666 4.802 ( 5.432 -12.005 -4.857) 14.043 5.308 ( 1.599 3.283 -4.606) 5.878 5.596 ( 3.762 6.899 -5.686) 9.700 5.832 ( -7.107 2.125 2.676) 7.886 5.941 ( -0.388 6.981 6.010) 9.219 6.128 ( -7.953 -0.807 -0.866) 8.041 6.361 ( 5.940 -0.691 -3.135) 6.752 6.651 ( 0.995 -3.142 0.752) 3.380 6.805 ( 10.224 -4.484 -3.346) 11.654 6.999 ( -3.688 4.947 8.416) 10.436 7.228 ( 2.212 0.370 0.943) 2.433 7.349 ( 5.527 6.506 -1.802) 8.725 7.455 ( -1.991 1.776 6.864) 7.364 7.601 ( -5.399 -4.150 -3.375) 7.600 7.717 ( -0.675 2.218 -4.950) 5.466 7.954 ( 1.848 5.998 0.733) 6.319 8.101 ( -5.019 2.520 -2.355) 6.090 8.356 ( -3.980 -1.489 1.095) 4.388 8.555 ( -5.601 -3.676 3.155) 7.405 8.654 ( -5.223 2.966 1.171) 6.120 8.685 ( 8.578 2.602 5.094) 10.310 9.209 ( -7.306 -4.334 -4.758) 9.736 9.615 ( 4.552 2.735 1.390) 5.490 10.299 ( 1.884 -7.789 -0.506) 8.030 10.478 ( -0.394 1.866 -1.939) 2.719 10.646 ( 1.675 -2.939 -2.155) 4.010 10.887 ( -1.355 3.309 -3.318) 4.878 11.118 ( -0.261 -2.046 -0.543) 2.133 11.235 ( -1.160 -0.951 2.055) 2.545 11.363 ( 0.765 -0.217 -0.738) 1.085 11.854 ( 2.563 1.420 0.375) 2.954 11.870 ( -0.236 2.982 1.336) 3.276 11.956 ( 2.348 -3.071 -2.541) 4.626 12.049 ( 1.698 -8.000 -0.326) 8.185 12.329 ( 3.243 -1.111 0.894) 3.543 12.450 ( -1.826 1.436 1.470) 2.749 12.567 ( -1.393 6.380 -0.208) 6.534 12.762 ( -0.980 -1.055 0.438) 1.506 12.820 ( -1.492 1.909 -0.546) 2.484 ======================= Grid point 270 (136/192) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -6.019 27.395 10.292) 29.877 2.425 ( -8.170 26.121 9.970) 29.128 3.130 ( -0.602 11.392 -9.905) 15.108 3.323 ( -2.451 10.863 -17.123) 20.425 3.542 ( 1.219 6.105 7.404) 9.674 3.908 ( -2.324 6.029 2.847) 7.061 4.071 ( 1.808 24.671 3.489) 24.982 4.299 ( -1.406 23.552 2.065) 23.685 4.622 ( -0.736 -17.327 7.144) 18.756 4.887 ( 7.485 -15.295 -3.679) 17.421 5.301 ( 2.686 4.009 -3.493) 5.957 5.519 ( -7.849 6.573 -1.405) 10.334 5.788 ( -0.912 -0.874 2.102) 2.452 5.947 ( -3.971 0.011 4.147) 5.741 6.069 ( 0.704 3.592 0.936) 3.778 6.408 ( 5.406 2.376 -7.181) 9.297 6.683 ( 2.448 -0.722 0.021) 2.552 6.951 ( 4.815 -2.822 2.145) 5.979 7.028 ( 1.318 1.556 0.715) 2.161 7.254 ( 1.409 -0.151 -2.934) 3.258 7.428 ( -3.759 5.665 1.452) 6.952 7.446 ( -7.242 -3.024 2.814) 8.337 7.488 ( -0.376 3.279 5.822) 6.692 7.692 ( 7.212 -0.226 -0.646) 7.244 7.879 ( -3.652 10.174 -6.038) 12.381 8.127 ( 2.637 -2.465 0.225) 3.617 8.300 ( -1.558 2.040 4.016) 4.766 8.444 ( -6.001 -0.636 -0.751) 6.081 8.547 ( -4.469 -3.704 -2.299) 6.243 8.919 ( -6.964 1.682 -3.934) 8.174 9.070 ( 7.344 1.103 9.353) 11.943 9.657 ( -0.140 3.296 0.237) 3.307 10.325 ( 0.955 -7.776 -0.384) 7.844 10.446 ( -0.051 -3.477 -2.584) 4.332 10.668 ( 2.614 -6.549 -2.018) 7.335 10.845 ( -0.136 3.041 -2.613) 4.011 11.107 ( -0.725 -3.421 -0.397) 3.520 11.193 ( -2.755 3.864 -1.919) 5.119 11.429 ( 4.664 -3.064 2.965) 6.319 11.834 ( -3.079 -0.919 -1.156) 3.415 11.894 ( 0.739 4.832 -0.332) 4.899 11.975 ( 2.777 -2.104 -2.824) 4.484 12.111 ( 3.571 -5.480 2.959) 7.179 12.361 ( 0.622 1.549 0.755) 1.831 12.431 ( -2.651 -1.391 0.290) 3.008 12.543 ( -0.601 6.091 -1.376) 6.273 12.752 ( -0.562 -1.611 0.534) 1.788 12.789 ( -1.046 1.309 -0.546) 1.762 ======================= Grid point 271 (137/192) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -1.340 21.050 8.667) 22.804 3.004 ( -1.305 24.564 7.288) 25.656 3.301 ( 2.587 9.745 -7.885) 12.800 3.394 ( 0.783 16.227 -10.812) 19.515 3.651 ( -1.289 1.346 3.975) 4.390 3.834 ( 0.149 -5.450 -2.805) 6.131 4.213 ( -0.460 -24.864 6.585) 25.725 4.398 ( -1.314 -21.463 -2.843) 21.690 4.805 ( 0.795 28.441 3.774) 28.702 4.877 ( -0.675 20.044 0.016) 20.055 5.398 ( 0.677 -1.075 0.150) 1.279 5.463 ( 1.537 1.443 -2.972) 3.643 5.709 ( -2.819 -4.847 2.820) 6.276 5.837 ( 0.711 -6.865 -0.218) 6.906 6.204 ( 1.217 4.779 1.775) 5.241 6.425 ( 5.104 -4.478 -5.466) 8.716 6.761 ( 2.765 2.094 -2.174) 4.094 6.922 ( 2.745 -3.859 -7.336) 8.732 7.129 ( -7.190 6.976 6.829) 12.124 7.283 ( 1.042 3.325 -2.979) 4.584 7.371 ( -0.920 -2.392 12.740) 12.995 7.449 ( -5.824 5.447 7.412) 10.887 7.703 ( 4.633 7.593 0.874) 8.938 7.877 ( -0.559 3.451 -6.737) 7.590 7.976 ( 2.758 6.942 -0.639) 7.497 8.064 ( 1.785 1.236 -3.668) 4.262 8.240 ( -7.863 -3.450 -1.664) 8.746 8.328 ( -3.018 -4.525 -3.902) 6.694 8.574 ( 6.431 5.353 5.329) 9.920 8.744 ( -5.812 0.905 -3.424) 6.806 9.250 ( 4.991 -4.819 9.301) 11.604 9.576 ( -2.681 -9.725 -6.730) 12.127 10.261 ( -0.907 2.285 5.684) 6.193 10.441 ( 1.369 0.512 -3.782) 4.055 10.574 ( 2.154 -1.110 3.363) 4.145 10.798 ( -0.569 -3.135 -6.521) 7.258 11.059 ( -1.600 1.708 0.773) 2.464 11.192 ( 0.230 -0.083 -4.313) 4.320 11.523 ( 4.847 -0.005 5.367) 7.232 11.679 ( -3.745 -3.914 -2.313) 5.890 11.939 ( -3.694 2.993 0.356) 4.768 12.000 ( 2.872 0.336 -0.375) 2.915 12.137 ( 5.293 -4.309 2.634) 7.315 12.246 ( -4.051 -6.036 -2.776) 7.781 12.502 ( 0.336 5.448 3.042) 6.249 12.621 ( -0.517 4.710 -2.834) 5.521 12.708 ( -0.153 -2.471 1.687) 2.996 12.773 ( -0.035 -0.993 -1.542) 1.835 ======================= Grid point 272 (138/192) ======================= q-point: ( 0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 1.508 17.073 8.804) 19.268 3.069 ( 0.628 18.132 7.272) 19.546 3.264 ( 2.469 15.475 -8.710) 17.928 3.328 ( 3.414 20.526 -9.188) 22.746 3.675 ( -1.725 -1.621 5.682) 6.155 3.803 ( -0.150 -4.732 -4.033) 6.220 4.236 ( -3.911 -24.053 5.721) 25.032 4.313 ( -3.939 -17.717 -2.308) 18.296 4.836 ( -0.170 21.127 0.593) 21.136 4.873 ( -0.353 20.409 1.158) 20.445 5.366 ( -0.326 1.056 -1.932) 2.226 5.561 ( 4.036 -5.565 -1.342) 7.004 5.742 ( 6.568 -0.876 3.142) 7.334 5.870 ( 3.723 -4.106 -0.819) 5.603 6.245 ( 1.343 4.016 1.578) 4.519 6.452 ( 4.351 -4.262 -7.463) 9.633 6.751 ( -1.298 1.568 -2.772) 3.439 6.836 ( -2.374 -1.166 -8.389) 8.796 7.092 ( -3.991 2.975 7.839) 9.286 7.259 ( -2.604 1.798 3.247) 4.534 7.437 ( -1.677 8.115 3.641) 9.051 7.493 ( -4.059 2.564 11.800) 12.739 7.733 ( 0.724 5.324 -1.825) 5.675 7.799 ( 0.214 5.577 -3.494) 6.585 7.913 ( -6.120 -1.617 -7.422) 9.755 7.996 ( -1.793 -3.016 0.022) 3.509 8.286 ( 7.202 1.291 4.104) 8.390 8.372 ( 7.795 1.700 0.439) 7.990 8.611 ( -3.850 3.256 -3.014) 5.874 8.765 ( 8.410 1.848 3.801) 9.412 9.354 ( -4.119 -6.597 2.026) 8.037 9.426 ( -3.886 -9.552 -3.131) 10.777 10.289 ( -1.150 3.152 3.875) 5.126 10.449 ( 3.291 -0.928 -3.179) 4.668 10.654 ( 1.908 2.057 1.966) 3.426 10.734 ( 0.755 -2.015 -6.002) 6.376 11.041 ( -0.418 0.887 2.750) 2.919 11.190 ( 2.495 -2.274 -2.614) 4.270 11.575 ( -3.946 -0.018 -4.043) 5.650 11.665 ( 4.510 -2.713 4.690) 7.050 11.862 ( -4.871 2.603 1.831) 5.819 12.023 ( -0.292 -0.167 -0.934) 0.993 12.127 ( -4.466 -3.862 -3.963) 7.111 12.246 ( 2.510 -5.842 2.630) 6.881 12.536 ( 0.803 4.996 1.787) 5.367 12.606 ( 1.570 5.249 -1.546) 5.693 12.726 ( 0.526 -2.039 1.392) 2.524 12.773 ( 1.353 -1.224 -1.144) 2.153 ======================= Grid point 273 (139/192) ======================= q-point: ( 0.20 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 4.332 12.737 4.568) 14.208 3.170 ( 3.342 11.315 6.177) 13.318 3.230 ( 3.126 18.397 -7.212) 20.006 3.362 ( 5.720 17.114 -2.609) 18.232 3.662 ( -3.663 -1.629 0.244) 4.017 3.753 ( -1.965 -2.269 -0.927) 3.142 4.190 ( -4.922 -19.743 2.979) 20.564 4.253 ( -2.018 -14.707 0.888) 14.871 4.832 ( -0.138 13.894 -0.789) 13.917 4.855 ( -2.738 22.833 0.899) 23.014 5.346 ( 0.443 0.123 -2.687) 2.726 5.531 ( -4.715 -7.773 -0.012) 9.091 5.956 ( 6.429 0.658 -1.284) 6.589 5.991 ( 14.979 -0.310 1.487) 15.056 6.278 ( 1.380 1.066 0.031) 1.744 6.417 ( -0.039 -1.776 -8.315) 8.502 6.659 ( -2.862 1.525 -5.364) 6.269 6.737 ( -0.606 -3.316 -7.478) 8.202 7.127 ( -0.660 2.265 7.679) 8.033 7.279 ( -0.303 -1.532 5.633) 5.845 7.386 ( -5.892 7.372 2.847) 9.857 7.453 ( -6.397 4.686 5.859) 9.859 7.677 ( -5.183 7.063 -3.810) 9.554 7.806 ( 0.404 2.957 -2.503) 3.895 7.892 ( 9.029 1.189 3.555) 9.776 8.045 ( 3.457 -4.883 5.178) 7.912 8.361 ( -2.830 10.802 -2.837) 11.522 8.481 ( 4.283 3.350 0.557) 5.466 8.622 ( 6.281 -2.859 1.096) 6.988 8.957 ( 7.749 -1.941 3.625) 8.772 9.126 ( -9.776 -6.034 -9.450) 14.875 9.407 ( -5.049 -10.947 4.903) 13.014 10.302 ( -0.274 7.488 2.124) 7.788 10.490 ( 3.254 0.363 -1.513) 3.607 10.675 ( 3.620 2.911 -4.827) 6.699 10.714 ( -1.338 1.237 2.832) 3.367 11.099 ( 3.330 -2.925 -0.393) 4.450 11.221 ( 1.957 -7.539 1.174) 7.877 11.467 ( -2.481 6.885 -3.680) 8.192 11.751 ( -2.028 -1.855 4.819) 5.547 11.838 ( 2.046 -0.324 1.188) 2.388 11.964 ( -4.070 -4.333 -1.811) 6.214 12.022 ( -3.064 0.059 -4.073) 5.097 12.251 ( -3.623 -6.645 0.794) 7.610 12.584 ( 3.711 4.907 -0.976) 6.230 12.637 ( 1.857 4.990 1.255) 5.471 12.760 ( 1.998 -1.306 0.445) 2.428 12.794 ( 1.480 -0.797 0.407) 1.729 ======================= Grid point 274 (140/192) ======================= q-point: ( 0.30 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 4.846 18.067 -4.078) 19.145 3.260 ( 7.166 7.477 -2.103) 10.568 3.298 ( 4.253 4.568 5.009) 8.003 3.412 ( -1.178 6.606 0.255) 6.715 3.600 ( 0.887 9.484 -2.931) 9.966 3.724 ( -2.586 -1.967 3.138) 4.517 4.130 ( -4.779 -15.925 3.235) 16.938 4.241 ( -0.752 -10.897 0.584) 10.939 4.783 ( -3.679 17.138 0.159) 17.529 4.840 ( -0.114 16.701 0.503) 16.709 5.332 ( 0.480 -2.346 -2.268) 3.298 5.428 ( -5.734 -6.217 0.562) 8.476 6.042 ( 3.872 3.937 -2.069) 5.897 6.228 ( 6.733 -0.402 1.223) 6.855 6.293 ( -0.181 -2.658 -0.773) 2.774 6.329 ( 4.317 -0.008 -10.016) 10.907 6.566 ( -2.781 0.092 -4.059) 4.921 6.669 ( 2.793 -5.571 -8.175) 10.279 7.177 ( -3.376 5.898 4.911) 8.385 7.310 ( 2.281 3.628 2.073) 4.761 7.374 ( -6.346 0.911 3.820) 7.462 7.441 ( 2.885 -2.185 8.510) 9.247 7.593 ( 2.189 11.974 -4.856) 13.105 7.812 ( 0.774 5.834 1.287) 6.024 8.004 ( -3.909 0.243 0.076) 3.917 8.167 ( 1.497 -3.821 4.353) 5.982 8.316 ( 7.301 7.138 1.636) 10.341 8.587 ( -6.966 4.091 -2.182) 8.368 8.611 ( 3.428 -0.846 1.486) 3.831 8.963 ( 2.096 -2.855 -4.484) 5.714 9.100 ( 3.574 -7.051 2.213) 8.209 9.316 ( -8.329 -9.686 2.400) 12.998 10.326 ( 0.699 10.097 2.045) 10.326 10.517 ( 0.910 3.371 -0.753) 3.572 10.723 ( 1.752 -2.613 3.117) 4.429 10.751 ( 4.960 7.062 -0.445) 8.641 11.107 ( -0.166 -4.152 -2.431) 4.814 11.256 ( 0.258 -5.829 -0.208) 5.838 11.463 ( 3.767 7.659 0.159) 8.537 11.721 ( -4.074 -1.331 2.997) 5.230 11.862 ( -4.289 -4.662 -2.766) 6.912 11.900 ( 0.438 -0.391 1.398) 1.516 11.948 ( 0.755 -2.926 -3.978) 4.995 12.154 ( -6.533 -8.163 -0.516) 10.468 12.626 ( 2.488 5.521 -1.664) 6.280 12.695 ( 2.604 4.433 1.315) 5.306 12.792 ( 1.663 -0.562 -0.624) 1.863 12.835 ( 1.459 -0.220 1.615) 2.187 ======================= Grid point 275 (141/192) ======================= q-point: ( 0.40 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 2.708 11.331 -4.340) 12.432 3.296 ( -2.653 5.317 -3.114) 6.709 3.412 ( 5.830 3.523 2.497) 7.255 3.434 ( 4.119 -0.233 1.722) 4.471 3.609 ( 0.545 12.606 -1.825) 12.749 3.711 ( -1.604 2.032 1.295) 2.895 4.095 ( -3.055 -12.474 4.492) 13.605 4.220 ( -1.761 -7.311 0.050) 7.520 4.739 ( -2.002 16.951 2.013) 17.187 4.848 ( 0.291 13.511 0.325) 13.518 5.302 ( -0.869 -5.607 -1.116) 5.783 5.389 ( -0.349 -3.120 2.109) 3.783 6.036 ( -0.192 4.250 -4.731) 6.362 6.203 ( -2.466 0.054 -3.728) 4.470 6.315 ( 2.580 0.065 0.755) 2.689 6.389 ( 5.502 -1.505 -6.564) 8.696 6.512 ( 1.129 0.715 -1.746) 2.199 6.692 ( 5.921 -7.840 -4.073) 10.635 7.078 ( -8.874 4.635 -0.441) 10.021 7.257 ( -7.068 -2.089 -2.135) 7.673 7.434 ( 8.369 6.115 0.099) 10.366 7.554 ( 3.022 3.973 4.464) 6.696 7.688 ( 3.891 7.805 1.063) 8.785 7.811 ( -5.756 3.861 3.397) 7.719 7.883 ( 1.244 3.184 -1.487) 3.728 8.147 ( -9.046 -0.411 -4.019) 9.907 8.392 ( -0.932 1.838 3.058) 3.687 8.548 ( 8.274 4.252 6.890) 11.576 8.790 ( 7.827 -1.709 5.550) 9.746 8.945 ( -3.653 -9.360 -3.219) 10.551 9.122 ( -1.959 -2.293 0.615) 3.078 9.209 ( -3.209 -4.851 -0.279) 5.823 10.363 ( 0.176 10.676 3.370) 11.197 10.521 ( 0.932 6.003 -1.333) 6.219 10.771 ( -1.402 -2.618 6.438) 7.090 10.874 ( 8.404 4.928 -1.904) 9.927 11.082 ( -0.902 -1.467 0.128) 1.727 11.232 ( -1.361 -0.274 -2.182) 2.586 11.546 ( 4.452 3.335 -0.311) 5.571 11.667 ( -4.584 -2.829 1.232) 5.526 11.789 ( -0.636 -5.559 -0.878) 5.664 11.875 ( -1.189 -1.808 -1.393) 2.573 11.962 ( 1.722 -2.042 -2.629) 3.748 12.031 ( -5.531 -9.879 -0.417) 11.330 12.653 ( 1.847 6.063 -0.483) 6.357 12.737 ( 1.223 4.509 -0.235) 4.678 12.813 ( 1.214 -0.374 -0.182) 1.283 12.862 ( 0.037 0.035 0.780) 0.782 ======================= Grid point 276 (142/192) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -5.914 8.649 0.280) 10.481 3.279 ( 1.724 4.879 -3.183) 6.075 3.469 ( -1.757 -0.036 0.230) 1.772 3.537 ( 3.255 -2.085 -1.245) 4.061 3.577 ( -0.587 9.167 2.371) 9.487 3.707 ( 3.029 9.716 -3.172) 10.660 4.100 ( -1.881 -10.716 4.936) 11.947 4.194 ( -1.054 -6.171 0.489) 6.279 4.748 ( -0.094 16.379 3.173) 16.684 4.848 ( 0.091 13.612 -1.153) 13.661 5.324 ( 2.403 -5.713 1.756) 6.442 5.412 ( 1.388 -3.579 -0.196) 3.843 5.994 ( 1.263 3.604 -3.689) 5.309 6.119 ( -0.989 -0.746 -6.236) 6.357 6.330 ( -2.919 3.036 1.653) 4.525 6.431 ( 5.867 -0.766 -5.193) 7.872 6.578 ( 5.624 -0.324 1.871) 5.936 6.749 ( 0.396 -6.652 -5.442) 8.604 6.915 ( -4.123 3.427 1.202) 5.495 7.090 ( -5.399 -4.217 -6.033) 9.129 7.543 ( 1.342 5.027 3.235) 6.127 7.567 ( -9.695 7.554 0.575) 12.304 7.697 ( 5.548 5.956 3.543) 8.878 7.863 ( -4.005 0.129 -1.047) 4.141 7.902 ( -0.900 7.455 -1.031) 7.580 7.933 ( 1.924 2.190 0.424) 2.946 8.548 ( 8.977 -0.726 5.306) 10.453 8.686 ( -3.509 3.846 0.637) 5.245 8.773 ( -5.692 -4.895 5.768) 9.467 8.986 ( 6.014 -9.004 0.838) 10.861 9.102 ( 1.327 2.973 -1.507) 3.587 9.149 ( -3.556 -5.189 -0.969) 6.365 10.380 ( -2.918 9.775 4.440) 11.126 10.540 ( 3.870 8.290 -3.011) 9.632 10.796 ( -2.833 -1.682 6.215) 7.034 10.984 ( 5.863 0.362 -3.245) 6.711 11.073 ( -1.284 2.044 2.106) 3.203 11.184 ( -1.012 0.375 -1.872) 2.161 11.569 ( -6.057 -1.026 0.748) 6.188 11.635 ( 5.708 -0.813 -1.443) 5.944 11.791 ( -1.100 -5.014 0.384) 5.148 11.841 ( 0.204 -3.339 -1.902) 3.849 11.948 ( -0.526 -7.268 -0.412) 7.298 11.985 ( 1.460 -3.781 -2.055) 4.544 12.683 ( 1.098 6.287 0.717) 6.423 12.729 ( -1.090 4.913 -1.446) 5.236 12.836 ( 1.007 -0.559 0.579) 1.289 12.850 ( -1.488 -0.203 0.004) 1.502 ======================= Grid point 277 (143/192) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -6.423 12.754 2.501) 14.497 3.232 ( -6.750 7.934 1.110) 10.476 3.416 ( -0.177 2.028 -2.957) 3.590 3.496 ( -2.042 -2.464 -1.327) 3.465 3.668 ( 3.201 5.540 3.456) 7.272 3.750 ( 4.983 7.589 -4.808) 10.273 4.110 ( -2.377 -11.882 4.759) 13.019 4.202 ( 1.654 -7.812 0.512) 8.002 4.785 ( 0.564 16.020 2.975) 16.304 4.833 ( 0.129 16.676 -2.077) 16.805 5.357 ( -0.188 -3.960 -0.655) 4.018 5.457 ( 5.091 -5.724 -1.814) 7.872 6.003 ( 1.293 3.556 -2.202) 4.378 6.092 ( 5.020 -1.426 -3.781) 6.444 6.247 ( -7.371 5.015 -1.013) 8.973 6.476 ( 2.970 -3.951 -3.764) 6.213 6.577 ( -6.120 0.740 -5.809) 8.470 6.647 ( -1.879 -5.235 -0.134) 5.564 7.019 ( 8.157 1.225 5.498) 9.913 7.055 ( 4.844 1.194 1.250) 5.143 7.403 ( -8.459 8.661 0.839) 12.136 7.554 ( -5.525 7.258 4.129) 10.013 7.645 ( -2.825 -1.143 1.341) 3.329 7.841 ( -4.402 -3.442 1.346) 5.748 7.971 ( 1.918 3.044 -1.137) 3.773 8.016 ( 10.623 6.929 0.472) 12.692 8.510 ( -6.910 1.592 -1.838) 7.325 8.689 ( -0.008 4.630 2.877) 5.451 8.804 ( -5.476 -1.285 3.493) 6.621 8.990 ( -1.556 -2.139 -4.899) 5.567 9.111 ( 4.019 -4.275 0.694) 5.908 9.177 ( 4.321 -7.621 1.679) 8.921 10.349 ( -4.091 8.185 3.074) 9.653 10.588 ( 3.650 7.074 -2.824) 8.446 10.777 ( -4.349 1.641 3.192) 5.639 11.014 ( 1.543 -0.573 -4.196) 4.508 11.079 ( -1.325 -0.443 3.524) 3.791 11.169 ( 0.940 -0.987 -2.248) 2.629 11.473 ( -4.022 1.384 1.660) 4.566 11.728 ( 3.848 -4.029 -0.059) 5.571 11.763 ( -0.648 -2.744 0.038) 2.820 11.851 ( 1.657 -2.500 -1.363) 3.295 11.931 ( 0.398 -4.606 -1.389) 4.827 12.037 ( 5.040 -5.835 -0.776) 7.749 12.663 ( -3.317 5.253 -0.873) 6.274 12.717 ( 0.470 5.998 0.515) 6.038 12.808 ( -2.654 -0.803 0.083) 2.774 12.861 ( 0.538 -0.339 0.703) 0.948 ======================= Grid point 278 (144/192) ======================= q-point: (-0.30 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -5.640 18.278 5.087) 19.793 3.090 ( -9.619 14.123 2.880) 17.328 3.386 ( -2.320 0.828 -0.927) 2.632 3.485 ( 3.842 0.607 -3.210) 5.043 3.728 ( 1.234 3.366 -1.788) 4.007 3.780 ( 2.994 5.001 -1.804) 6.101 4.104 ( -3.032 -15.016 4.445) 15.951 4.259 ( 3.983 -11.580 -0.119) 12.246 4.811 ( -1.308 21.796 0.373) 21.838 4.818 ( 1.003 16.344 0.328) 16.378 5.343 ( 0.618 -2.704 -1.980) 3.408 5.535 ( 6.061 -7.012 -3.268) 9.827 6.001 ( -0.292 3.760 -1.377) 4.015 6.059 ( -9.362 3.590 -0.772) 10.057 6.192 ( 4.769 -2.751 0.399) 5.520 6.335 ( -8.926 -3.540 -3.143) 10.104 6.586 ( 4.345 0.155 -1.907) 4.747 6.612 ( 3.561 -3.828 -2.700) 5.885 7.121 ( -4.494 8.841 6.452) 11.832 7.214 ( 5.396 1.928 3.110) 6.519 7.387 ( 5.796 1.931 2.661) 6.663 7.480 ( -2.950 8.608 1.406) 9.208 7.644 ( -5.428 -6.136 -0.373) 8.201 7.762 ( 0.463 1.205 4.414) 4.598 7.975 ( 1.224 4.898 -2.187) 5.502 8.202 ( 6.331 -0.822 2.766) 6.958 8.449 ( -1.605 9.006 -0.715) 9.176 8.575 ( -6.785 0.906 -3.942) 7.899 8.695 ( -8.726 -1.021 2.152) 9.045 8.871 ( -5.361 2.178 -2.472) 6.292 9.173 ( -0.636 -5.333 -1.029) 5.469 9.343 ( 11.537 -11.583 1.614) 16.428 10.301 ( -3.937 6.682 2.182) 8.056 10.597 ( 0.057 1.217 -2.161) 2.481 10.706 ( -5.037 6.426 -0.682) 8.193 10.962 ( -0.951 -1.658 -5.001) 5.354 11.093 ( -1.367 -1.767 1.952) 2.967 11.168 ( 1.418 -1.567 0.336) 2.140 11.456 ( -1.132 5.281 0.588) 5.433 11.761 ( 0.272 -8.096 3.173) 8.700 11.792 ( 3.421 -0.493 -0.311) 3.470 11.865 ( 1.286 -2.148 -1.269) 2.806 11.950 ( 3.017 -2.079 -2.110) 4.228 12.134 ( 5.755 -7.008 0.073) 9.068 12.588 ( -4.017 5.334 -0.039) 6.678 12.718 ( -0.795 5.124 0.002) 5.185 12.764 ( -2.518 -0.723 0.844) 2.752 12.865 ( -0.645 -0.173 0.174) 0.690 ======================= Grid point 279 (145/192) ======================= q-point: (-0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -7.883 20.403 5.839) 22.639 2.995 ( -4.455 22.607 4.811) 23.539 3.334 ( -1.423 2.253 -1.452) 3.035 3.539 ( 4.055 1.951 -3.077) 5.452 3.676 ( -0.725 6.463 -7.151) 9.666 3.828 ( 2.148 -1.132 0.328) 2.450 4.104 ( -1.741 -18.074 5.148) 18.873 4.333 ( 4.662 -16.573 -1.005) 17.246 4.786 ( -2.238 25.810 1.571) 25.954 4.844 ( 1.177 19.713 0.921) 19.770 5.339 ( 0.960 -1.885 -1.861) 2.818 5.608 ( 5.437 -6.553 -4.285) 9.532 5.858 ( -10.857 1.378 2.565) 11.241 5.974 ( -7.686 -2.452 1.954) 8.301 6.150 ( -1.960 3.180 -0.120) 3.737 6.327 ( 5.255 -3.643 -1.647) 6.603 6.622 ( 4.691 0.354 -2.813) 5.482 6.734 ( 10.422 -3.118 -4.003) 11.591 7.099 ( -4.332 6.111 8.617) 11.418 7.277 ( -1.797 3.208 4.891) 6.119 7.403 ( -3.646 -1.173 3.291) 5.050 7.489 ( -3.678 -5.014 -2.993) 6.901 7.618 ( 9.157 11.298 -0.080) 14.543 7.817 ( -1.590 5.811 -3.478) 6.956 8.061 ( 7.246 6.894 6.310) 11.826 8.218 ( -6.388 5.432 -5.705) 10.142 8.300 ( -2.859 -3.332 -2.271) 4.943 8.504 ( -9.465 -1.452 1.325) 9.667 8.635 ( 1.752 1.221 1.214) 2.457 8.796 ( -0.300 -0.350 4.159) 4.185 9.097 ( -4.755 -3.416 -3.401) 6.771 9.538 ( 8.751 -13.153 -0.889) 15.823 10.250 ( -4.062 6.661 2.734) 8.267 10.558 ( -1.689 -0.970 -2.989) 3.568 10.594 ( -5.166 4.242 -0.658) 6.717 10.912 ( 0.379 -1.505 -4.780) 5.026 11.071 ( -0.674 -0.355 -0.957) 1.223 11.228 ( 2.540 -5.807 2.804) 6.931 11.408 ( -3.008 9.024 -1.232) 9.592 11.803 ( -0.493 -5.465 3.230) 6.368 11.868 ( 1.588 -2.584 -1.571) 3.416 11.882 ( 4.987 -4.091 1.195) 6.560 11.988 ( 3.448 1.729 -2.116) 4.399 12.236 ( 4.695 -7.266 0.763) 8.684 12.525 ( -3.559 5.423 1.156) 6.589 12.692 ( -1.400 3.310 -0.794) 3.680 12.733 ( -2.114 -0.046 1.036) 2.355 12.841 ( -1.641 -0.164 -0.732) 1.805 ======================= Grid point 280 (146/192) ======================= q-point: (-0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -4.850 22.175 7.279) 23.838 2.979 ( -2.902 26.523 5.633) 27.270 3.314 ( 1.429 4.980 -3.204) 6.092 3.502 ( -0.680 8.253 -10.085) 13.050 3.638 ( 0.768 4.546 -0.327) 4.622 3.850 ( 0.661 -4.203 -1.275) 4.441 4.146 ( 0.404 -21.876 5.858) 22.650 4.398 ( 3.385 -21.061 -1.713) 21.400 4.772 ( -1.356 28.474 3.164) 28.681 4.874 ( 0.621 21.814 1.064) 21.849 5.350 ( 2.471 -0.887 -1.518) 3.033 5.580 ( -6.191 -1.307 -2.506) 6.806 5.739 ( -3.508 -3.120 2.289) 5.223 5.859 ( -4.806 -6.214 1.687) 8.035 6.167 ( 1.275 4.789 1.339) 5.133 6.384 ( 4.237 -4.229 -3.620) 6.996 6.700 ( 6.282 2.320 -3.062) 7.364 6.873 ( 8.825 -3.947 -5.075) 10.918 7.135 ( -3.525 5.387 11.690) 13.346 7.280 ( 0.945 4.100 -1.354) 4.420 7.349 ( -5.752 -5.435 4.939) 9.328 7.477 ( -0.865 -1.585 5.089) 5.400 7.675 ( -4.779 12.509 -1.137) 13.439 7.789 ( 8.344 7.574 -1.443) 11.361 8.055 ( -1.674 6.115 -9.920) 11.773 8.121 ( -4.785 2.056 -2.291) 5.690 8.336 ( 4.100 1.977 3.176) 5.550 8.404 ( -2.374 1.129 1.358) 2.959 8.527 ( -8.349 -2.029 -1.941) 8.808 8.891 ( -5.453 -12.610 0.518) 13.749 9.043 ( 6.391 5.545 5.522) 10.104 9.625 ( 3.177 -12.140 -3.957) 13.158 10.228 ( -2.099 5.709 5.031) 7.894 10.479 ( -2.156 2.664 -3.044) 4.583 10.546 ( -0.913 -2.745 0.565) 2.948 10.865 ( -0.311 -2.320 -5.382) 5.869 11.062 ( 0.444 0.226 -0.576) 0.762 11.252 ( -1.351 -5.336 -2.653) 6.111 11.401 ( 2.528 7.402 3.837) 8.713 11.764 ( -3.909 -5.188 -0.623) 6.526 11.922 ( 4.053 -1.230 0.106) 4.237 11.968 ( 1.906 -1.837 1.281) 2.941 12.037 ( 3.876 0.917 -0.333) 3.997 12.296 ( 0.770 -6.894 -0.190) 6.940 12.487 ( -1.850 5.672 1.917) 6.267 12.658 ( -1.019 3.554 -1.678) 4.060 12.708 ( -1.495 -1.421 1.083) 2.329 12.801 ( -1.405 -0.426 -1.274) 1.944 ======================= Grid point 281 (147/192) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -1.570 -6.915 1.698) 7.291 3.224 ( -1.570 6.915 1.698) 7.291 3.561 ( 2.663 -15.230 5.704) 16.480 3.561 ( 2.663 15.230 5.704) 16.480 3.738 ( -0.916 -12.885 -2.734) 13.204 3.738 ( -0.916 12.885 -2.734) 13.204 3.922 ( -0.769 -18.068 -3.751) 18.469 3.922 ( -0.769 18.068 -3.751) 18.469 5.195 ( -0.576 -4.147 0.646) 4.236 5.195 ( -0.576 4.147 0.646) 4.236 5.360 ( 0.480 -7.129 -1.620) 7.327 5.360 ( 0.480 7.129 -1.620) 7.327 5.698 ( -0.468 -4.736 2.361) 5.313 5.698 ( -0.468 4.736 2.361) 5.313 6.310 ( 3.000 -5.861 -1.688) 6.797 6.310 ( 3.000 5.861 -1.688) 6.797 6.832 ( 2.786 -4.528 -5.021) 7.312 6.832 ( 2.786 4.528 -5.021) 7.312 7.246 ( -5.039 -4.585 6.349) 9.313 7.246 ( -5.039 4.585 6.349) 9.313 7.434 ( 1.043 -5.154 6.101) 8.055 7.434 ( 1.043 5.154 6.101) 8.055 7.849 ( 1.546 -5.207 -1.374) 5.603 7.849 ( 1.546 5.207 -1.374) 5.603 8.136 ( -0.028 -2.379 -4.790) 5.348 8.136 ( -0.028 2.379 -4.790) 5.348 8.217 ( -6.043 -4.036 -3.094) 7.898 8.217 ( -6.043 4.036 -3.094) 7.898 8.660 ( 3.075 -5.186 3.986) 7.228 8.660 ( 3.075 5.186 3.986) 7.228 9.321 ( 0.449 -11.115 -0.332) 11.129 9.321 ( 0.449 11.115 -0.332) 11.129 10.366 ( -1.581 -5.747 1.665) 6.189 10.366 ( -1.581 5.747 1.665) 6.189 10.682 ( 1.320 -7.856 -2.002) 8.213 10.682 ( 1.320 7.856 -2.002) 8.213 11.129 ( 0.750 -4.553 -1.708) 4.920 11.129 ( 0.750 4.553 -1.708) 4.920 11.588 ( -0.689 -4.920 0.671) 5.013 11.588 ( -0.689 4.920 0.671) 5.013 11.992 ( 1.348 -1.907 2.224) 3.224 11.992 ( 1.348 1.907 2.224) 3.224 12.123 ( -0.650 -4.386 -2.158) 4.931 12.123 ( -0.650 4.386 -2.158) 4.931 12.608 ( -0.166 -4.517 2.189) 5.022 12.608 ( -0.166 4.517 2.189) 5.022 12.731 ( -0.161 -3.080 -1.956) 3.652 12.731 ( -0.161 3.080 -1.956) 3.652 ======================= Grid point 283 (148/192) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 0.087 -3.533 2.324) 4.230 3.230 ( 0.087 3.533 2.324) 4.230 3.642 ( -0.084 -13.600 1.065) 13.642 3.642 ( -0.084 13.600 1.065) 13.642 3.694 ( -0.213 -5.021 -0.081) 5.026 3.694 ( -0.213 5.021 -0.081) 5.026 3.877 ( -0.368 -12.495 -2.153) 12.684 3.877 ( -0.368 12.495 -2.153) 12.684 5.155 ( -2.889 -4.365 -0.006) 5.235 5.155 ( -2.889 4.365 -0.006) 5.235 5.376 ( 0.321 -6.804 -0.101) 6.812 5.376 ( 0.321 6.804 -0.101) 6.812 5.780 ( 7.910 -3.797 0.878) 8.818 5.780 ( 7.910 3.797 0.878) 8.818 6.342 ( 2.467 -5.579 -2.527) 6.602 6.342 ( 2.467 5.579 -2.527) 6.602 6.792 ( -0.941 -2.472 -6.091) 6.640 6.792 ( -0.941 2.472 -6.091) 6.640 7.192 ( -5.886 -5.678 6.107) 10.207 7.192 ( -5.886 5.678 6.107) 10.207 7.532 ( 0.652 -1.319 6.069) 6.244 7.532 ( 0.652 1.319 6.069) 6.244 7.829 ( -2.461 -4.476 -1.595) 5.352 7.829 ( -2.461 4.476 -1.595) 5.352 7.940 ( -5.536 -5.170 -2.475) 7.969 7.940 ( -5.536 5.170 -2.475) 7.969 8.364 ( 12.071 -4.674 1.820) 13.072 8.364 ( 12.071 4.674 1.820) 13.072 8.702 ( 0.142 -6.767 -0.852) 6.822 8.702 ( 0.142 6.767 -0.852) 6.822 9.284 ( -3.898 -2.009 -0.763) 4.451 9.284 ( -3.898 2.009 -0.763) 4.451 10.378 ( 0.782 -4.985 2.365) 5.573 10.378 ( 0.782 4.985 2.365) 5.573 10.714 ( 4.277 -2.015 -2.325) 5.269 10.714 ( 4.277 2.015 -2.325) 5.269 11.102 ( -1.821 -5.023 -1.680) 5.601 11.102 ( -1.821 5.023 -1.680) 5.601 11.604 ( 1.313 -2.809 1.299) 3.362 11.604 ( 1.313 2.809 1.299) 3.362 11.955 ( -4.867 -5.625 -0.398) 7.449 11.955 ( -4.867 5.625 -0.398) 7.449 12.131 ( 1.203 -4.155 -0.351) 4.340 12.131 ( 1.203 4.155 -0.351) 4.340 12.628 ( 0.683 -3.405 1.434) 3.757 12.628 ( 0.683 3.405 1.434) 3.757 12.730 ( 1.583 -2.684 -1.014) 3.276 12.730 ( 1.583 2.684 -1.014) 3.276 ======================= Grid point 285 (149/192) ======================= q-point: ( 0.20 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 1.820 -1.463 3.013) 3.812 3.274 ( 1.820 1.463 3.013) 3.812 3.566 ( -2.240 -3.979 -6.485) 7.931 3.566 ( -2.240 3.979 -6.485) 7.931 3.745 ( 0.122 -11.948 5.813) 13.287 3.745 ( 0.122 11.948 5.813) 13.287 3.876 ( 1.677 -12.128 -0.914) 12.277 3.876 ( 1.677 12.128 -0.914) 12.277 5.114 ( -1.843 -5.906 0.038) 6.187 5.114 ( -1.843 5.906 0.038) 6.187 5.339 ( -3.980 -7.026 0.188) 8.077 5.339 ( -3.980 7.026 0.188) 8.077 5.972 ( 11.748 -1.195 -0.825) 11.837 5.972 ( 11.748 1.195 -0.825) 11.837 6.341 ( 0.428 -4.448 -3.117) 5.448 6.341 ( 0.428 4.448 -3.117) 5.448 6.688 ( -2.310 -1.570 -8.174) 8.638 6.688 ( -2.310 1.570 -8.174) 8.638 7.198 ( -0.335 -4.465 7.834) 9.023 7.198 ( -0.335 4.465 7.834) 9.023 7.487 ( -7.455 -2.287 1.334) 7.911 7.487 ( -7.455 2.287 1.334) 7.911 7.825 ( 0.203 -6.510 1.354) 6.652 7.825 ( 0.203 6.510 1.354) 6.652 7.933 ( 3.420 -7.195 3.774) 8.815 7.933 ( 3.420 7.195 3.774) 8.815 8.549 ( 3.749 -2.014 -0.843) 4.339 8.549 ( 3.749 2.014 -0.843) 4.339 8.696 ( 3.960 -17.973 -1.983) 18.510 8.696 ( 3.960 17.973 -1.983) 18.510 9.181 ( -5.952 -9.688 -0.441) 11.379 9.181 ( -5.952 9.688 -0.441) 11.379 10.434 ( 2.157 -5.305 3.066) 6.496 10.434 ( 2.157 5.305 3.066) 6.496 10.773 ( 4.484 -1.880 -3.176) 5.808 10.773 ( 4.484 1.880 -3.176) 5.808 11.058 ( -0.833 -3.475 -0.363) 3.592 11.058 ( -0.833 3.476 -0.363) 3.592 11.643 ( 0.468 -8.574 2.115) 8.843 11.643 ( 0.468 8.574 2.115) 8.843 11.871 ( -2.458 -3.176 -1.658) 4.345 11.871 ( -2.458 3.176 -1.658) 4.345 12.101 ( -3.975 -6.728 -1.101) 7.892 12.101 ( -3.975 6.728 -1.101) 7.892 12.669 ( 2.775 -2.669 0.168) 3.854 12.669 ( 2.775 2.669 0.168) 3.854 12.761 ( 1.936 -2.070 0.654) 2.909 12.761 ( 1.936 2.070 0.654) 2.909 ======================= Grid point 287 (150/192) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( 2.183 -0.915 2.597) 3.514 3.343 ( 2.183 0.915 2.597) 3.514 3.470 ( -1.243 -1.948 -5.700) 6.151 3.470 ( -1.243 1.948 -5.700) 6.151 3.799 ( 0.348 -12.290 4.455) 13.077 3.799 ( 0.348 12.290 4.455) 13.077 3.905 ( 1.816 -16.151 -0.370) 16.256 3.905 ( 1.816 16.151 -0.370) 16.256 5.079 ( -2.386 -7.412 0.287) 7.792 5.079 ( -2.386 7.412 0.287) 7.792 5.265 ( -3.811 -6.911 0.664) 7.920 5.265 ( -3.811 6.911 0.664) 7.920 6.134 ( 6.363 -5.457 -2.395) 8.718 6.134 ( 6.363 5.457 -2.395) 8.718 6.310 ( 0.814 -2.089 -3.255) 3.953 6.310 ( 0.814 2.089 -3.255) 3.953 6.586 ( 0.223 -2.278 -7.419) 7.764 6.586 ( 0.223 2.278 -7.419) 7.764 7.299 ( -0.981 -5.279 5.181) 7.462 7.299 ( -0.981 5.279 5.181) 7.462 7.391 ( -1.389 -2.876 3.993) 5.113 7.391 ( -1.389 2.876 3.993) 5.113 7.824 ( 1.368 -8.945 -2.601) 9.416 7.824 ( 1.368 8.945 -2.601) 9.416 8.046 ( 0.668 -7.566 5.841) 9.581 8.046 ( 0.668 7.566 5.841) 9.581 8.521 ( -0.433 -9.404 -2.286) 9.688 8.521 ( -0.433 9.404 -2.286) 9.688 8.767 ( 1.596 -10.985 -0.106) 11.101 8.767 ( 1.596 10.985 -0.106) 11.101 9.106 ( -1.594 -7.962 0.814) 8.161 9.106 ( -1.594 7.962 0.814) 8.161 10.503 ( 1.873 -6.091 3.178) 7.121 10.503 ( 1.873 6.091 3.178) 7.121 10.800 ( 1.908 -6.855 -2.425) 7.517 10.800 ( 1.908 6.855 -2.425) 7.517 11.087 ( 3.565 -7.466 0.302) 8.279 11.087 ( 3.565 7.466 0.302) 8.279 11.645 ( -2.328 -8.155 1.975) 8.708 11.645 ( -2.328 8.155 1.975) 8.708 11.845 ( 0.981 -3.570 -2.028) 4.222 11.845 ( 0.981 3.570 -2.028) 4.222 11.985 ( -6.319 -6.554 -1.840) 9.288 11.985 ( -6.319 6.554 -1.840) 9.288 12.716 ( 2.592 -2.790 -0.801) 3.891 12.716 ( 2.592 2.790 -0.801) 3.891 12.807 ( 1.769 -2.174 1.375) 3.122 12.807 ( 1.769 2.174 1.375) 3.122 ======================= Grid point 289 (151/192) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -1.951 -0.692 -1.195) 2.390 3.353 ( -1.951 0.692 -1.195) 2.390 3.451 ( 3.001 -1.803 -1.800) 3.937 3.451 ( 3.001 1.803 -1.800) 3.937 3.835 ( -0.761 -11.957 3.073) 12.369 3.835 ( -0.761 11.957 3.073) 12.369 3.930 ( 1.434 -15.953 -0.162) 16.018 3.930 ( 1.434 15.953 -0.162) 16.018 5.043 ( -1.640 -9.601 0.966) 9.787 5.043 ( -1.640 9.601 0.966) 9.787 5.231 ( -1.163 -9.597 1.690) 9.813 5.231 ( -1.163 9.597 1.690) 9.813 6.129 ( -0.879 -4.932 -5.138) 7.176 6.129 ( -0.879 4.932 -5.138) 7.176 6.350 ( 4.334 -2.224 -0.903) 4.954 6.350 ( 4.334 2.224 -0.903) 4.954 6.561 ( 3.608 -4.496 -4.658) 7.412 6.561 ( 3.608 4.496 -4.658) 7.412 7.183 ( -9.338 -4.999 -1.282) 10.669 7.183 ( -9.338 4.999 -1.282) 10.669 7.525 ( 4.835 -3.365 5.122) 7.806 7.525 ( 4.835 3.365 5.122) 7.806 7.841 ( 2.829 -5.286 -1.948) 6.303 7.841 ( 2.829 5.286 -1.948) 6.303 8.036 ( -3.050 -10.837 -0.245) 11.261 8.036 ( -3.050 10.837 -0.245) 11.261 8.536 ( -0.842 -9.257 4.924) 10.519 8.536 ( -0.842 9.257 4.924) 10.519 8.773 ( 0.890 -2.837 0.759) 3.068 8.773 ( 0.890 2.837 0.759) 3.068 9.117 ( 0.895 -2.344 0.135) 2.512 9.117 ( 0.895 2.344 0.135) 2.512 10.557 ( 0.439 -6.221 3.348) 7.078 10.557 ( 0.439 6.221 3.348) 7.078 10.816 ( 1.845 -8.838 -0.500) 9.042 10.816 ( 1.845 8.838 -0.500) 9.042 11.152 ( 3.111 -7.133 -1.489) 7.923 11.152 ( 3.111 7.133 -1.489) 7.923 11.623 ( -1.159 -3.627 1.161) 3.981 11.623 ( -1.159 3.627 1.161) 3.981 11.811 ( -4.620 -9.276 -0.027) 10.363 11.811 ( -4.620 9.276 -0.027) 10.363 11.896 ( 0.443 -3.141 -3.044) 4.396 11.896 ( 0.443 3.141 -3.044) 4.396 12.752 ( 2.071 -3.202 -0.340) 3.828 12.752 ( 2.071 3.202 -0.340) 3.828 12.836 ( 0.174 -2.400 0.463) 2.451 12.836 ( 0.174 2.400 0.463) 2.451 ======================= Grid point 291 (152/192) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -2.211 -2.775 -0.520) 3.587 3.302 ( -2.211 2.775 -0.520) 3.587 3.479 ( 1.212 -2.343 -1.825) 3.208 3.479 ( 1.212 2.343 -1.825) 3.208 3.832 ( -1.485 -10.927 1.832) 11.178 3.832 ( -1.485 10.927 1.832) 11.178 3.956 ( 1.062 -10.664 0.417) 10.725 3.956 ( 1.062 10.664 0.417) 10.725 5.048 ( 1.005 -9.218 0.900) 9.316 5.048 ( 1.005 9.218 0.900) 9.316 5.246 ( 0.357 -9.190 1.952) 9.401 5.246 ( 0.357 9.190 1.952) 9.401 6.066 ( 0.595 -3.473 -5.784) 6.773 6.066 ( 0.595 3.473 -5.784) 6.773 6.393 ( 0.848 -2.788 -0.263) 2.926 6.393 ( 0.848 2.788 -0.263) 2.926 6.621 ( 4.658 -4.905 -2.337) 7.157 6.621 ( 4.658 4.905 -2.337) 7.157 6.999 ( -5.818 -4.540 -2.923) 7.937 6.999 ( -5.818 4.540 -2.923) 7.937 7.602 ( -1.730 -1.286 4.996) 5.441 7.602 ( -1.730 1.286 4.996) 5.441 7.831 ( -2.994 -3.607 -2.431) 5.280 7.831 ( -2.994 3.607 -2.431) 5.280 8.017 ( 1.669 -1.290 0.377) 2.143 8.017 ( 1.669 1.290 0.377) 2.143 8.571 ( 1.215 -6.326 3.591) 7.374 8.571 ( 1.215 6.326 3.591) 7.374 8.822 ( 1.353 -6.588 2.167) 7.066 8.822 ( 1.353 6.588 2.167) 7.066 9.118 ( -0.328 -0.960 -0.620) 1.189 9.118 ( -0.328 0.960 -0.620) 1.189 10.576 ( -2.295 -7.340 3.587) 8.486 10.576 ( -2.295 7.340 3.587) 8.486 10.863 ( 3.619 -9.409 -0.348) 10.087 10.863 ( 3.619 9.409 -0.348) 10.087 11.151 ( -0.625 -3.742 -2.595) 4.596 11.151 ( -0.625 3.742 -2.595) 4.596 11.610 ( -3.001 -2.923 1.618) 4.491 11.610 ( -3.001 2.923 1.618) 4.491 11.768 ( 1.637 -4.301 0.422) 4.621 11.768 ( 1.637 4.301 0.422) 4.621 11.888 ( 1.165 -4.279 -3.208) 5.474 11.888 ( 1.165 4.279 -3.208) 5.474 12.782 ( 0.970 -2.452 0.159) 2.642 12.782 ( 0.970 2.452 0.159) 2.642 12.824 ( -1.308 -1.738 -0.089) 2.177 12.824 ( -1.308 1.738 -0.089) 2.177 ======================= Grid point 293 (153/192) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -1.889 -4.900 1.955) 5.603 3.271 ( -1.889 4.900 1.955) 5.603 3.453 ( -1.324 -1.972 -2.446) 3.409 3.453 ( -1.324 1.972 -2.446) 3.409 3.835 ( -0.549 -9.108 2.258) 9.400 3.835 ( -0.549 9.108 2.258) 9.400 3.969 ( 0.448 -9.743 -0.572) 9.770 3.969 ( 0.448 9.743 -0.572) 9.770 5.085 ( 2.497 -7.075 -0.455) 7.517 5.085 ( 2.497 7.075 -0.455) 7.517 5.269 ( 0.547 -7.581 1.003) 7.667 5.269 ( 0.547 7.581 1.003) 7.667 6.055 ( 3.458 -2.032 -4.222) 5.823 6.055 ( 3.458 2.032 -4.222) 5.823 6.365 ( -4.332 -6.256 -1.860) 7.834 6.365 ( -4.332 6.256 -1.860) 7.834 6.583 ( -2.341 -1.024 -3.692) 4.490 6.583 ( -2.341 1.024 -3.692) 4.490 7.049 ( 9.060 -1.330 3.974) 9.982 7.049 ( 9.060 1.330 3.974) 9.982 7.570 ( -5.572 -5.757 2.578) 8.416 7.570 ( -5.572 5.757 2.578) 8.416 7.720 ( -7.249 -7.704 1.834) 10.736 7.720 ( -7.249 7.704 1.834) 10.736 8.064 ( 3.112 -4.009 -0.479) 5.098 8.064 ( 3.112 4.009 -0.479) 5.098 8.648 ( 3.226 -10.276 0.888) 10.807 8.648 ( 3.226 10.276 0.888) 10.807 8.813 ( -3.216 -6.422 -0.737) 7.220 8.813 ( -3.216 6.422 -0.737) 7.220 9.115 ( 0.718 -1.813 0.203) 1.960 9.115 ( 0.718 1.813 0.203) 1.960 10.544 ( -4.493 -9.081 3.111) 10.598 10.544 ( -4.493 9.081 3.111) 10.598 10.915 ( 2.784 -8.867 -2.997) 9.765 10.915 ( 2.784 8.867 -2.997) 9.765 11.111 ( -1.371 -3.171 -0.156) 3.458 11.111 ( -1.371 3.171 -0.156) 3.458 11.570 ( -2.255 -7.311 2.472) 8.040 11.570 ( -2.255 7.311 2.472) 8.040 11.833 ( 1.758 -4.097 -0.075) 4.459 11.833 ( 1.758 4.097 -0.075) 4.459 11.889 ( 4.469 -7.011 -3.112) 8.878 11.889 ( 4.469 7.011 -3.112) 8.878 12.755 ( -3.077 -3.301 -0.494) 4.540 12.755 ( -3.077 3.301 -0.494) 4.540 12.825 ( 0.379 -3.152 0.897) 3.299 12.825 ( 0.379 3.152 0.897) 3.299 ======================= Grid point 295 (154/192) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( -1.865 -4.091 4.246) 6.184 3.270 ( -1.865 4.091 4.246) 6.184 3.407 ( -0.800 -6.764 -2.032) 7.108 3.407 ( -0.800 6.764 -2.032) 7.108 3.838 ( -1.513 -8.537 1.420) 8.785 3.838 ( -1.513 8.537 1.420) 8.785 3.968 ( 0.871 -12.536 -1.698) 12.681 3.968 ( 0.871 12.536 -1.698) 12.681 5.122 ( 2.451 -6.246 -1.181) 6.812 5.122 ( 2.451 6.246 -1.181) 6.812 5.295 ( 1.897 -11.452 0.352) 11.613 5.295 ( 1.897 11.452 0.352) 11.613 6.066 ( -2.030 -2.768 -2.582) 4.296 6.066 ( -2.030 2.768 -2.582) 4.296 6.223 ( -4.435 -5.607 -1.398) 7.284 6.223 ( -4.435 5.607 -1.398) 7.284 6.581 ( 4.278 -0.513 -2.281) 4.875 6.581 ( 4.278 0.513 -2.281) 4.875 7.237 ( 2.431 -1.048 5.661) 6.250 7.237 ( 2.431 1.048 5.661) 6.250 7.473 ( -4.214 -7.294 -1.770) 8.608 7.473 ( -4.214 7.294 -1.770) 8.608 7.686 ( 1.029 -7.563 6.308) 9.902 7.686 ( 1.029 7.563 6.308) 9.902 8.121 ( 3.469 -7.349 0.290) 8.132 8.121 ( 3.469 7.349 0.290) 8.132 8.589 ( -8.846 -0.886 -2.947) 9.366 8.589 ( -8.846 0.886 -2.947) 9.366 8.773 ( -0.577 -10.593 -0.520) 10.622 8.773 ( -0.576 10.593 -0.520) 10.622 9.149 ( 3.139 -4.087 -0.620) 5.191 9.149 ( 3.139 4.087 -0.620) 5.191 10.488 ( -4.655 -9.407 2.880) 10.884 10.488 ( -4.655 9.407 2.880) 10.884 10.882 ( -1.858 -7.479 -4.588) 8.969 10.882 ( -1.858 7.479 -4.588) 8.969 11.106 ( 0.263 -3.270 -0.025) 3.281 11.106 ( 0.263 3.270 -0.025) 3.281 11.593 ( 1.097 -7.650 3.471) 8.473 11.593 ( 1.097 7.650 3.471) 8.473 11.820 ( -0.377 -2.486 -1.132) 2.757 11.820 ( -0.377 2.486 -1.132) 2.757 11.982 ( 6.621 -6.088 -1.669) 9.148 11.982 ( 6.621 6.088 -1.669) 9.148 12.691 ( -3.599 -4.255 0.290) 5.581 12.691 ( -3.599 4.255 0.290) 5.581 12.830 ( -0.686 -3.360 0.389) 3.452 12.830 ( -0.686 3.360 0.389) 3.452 ======================= Grid point 297 (155/192) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( -2.845 -8.703 3.973) 9.981 3.270 ( -2.845 8.703 3.973) 9.981 3.403 ( 1.603 -15.018 0.216) 15.105 3.403 ( 1.603 15.018 0.216) 15.105 3.810 ( -1.919 -9.752 -0.116) 9.940 3.810 ( -1.919 9.752 -0.116) 9.940 3.968 ( 1.279 -14.869 -2.516) 15.134 3.968 ( 1.279 14.869 -2.516) 15.134 5.150 ( 1.809 -8.417 -0.976) 8.664 5.150 ( 1.809 8.417 -0.976) 8.664 5.343 ( 2.695 -16.104 0.254) 16.330 5.343 ( 2.695 16.104 0.254) 16.330 5.908 ( -10.746 -3.314 0.762) 11.271 5.908 ( -10.746 3.314 0.762) 11.271 6.234 ( 3.128 -4.776 -0.789) 5.764 6.234 ( 3.128 4.776 -0.789) 5.764 6.664 ( 7.844 -3.372 -3.653) 9.287 6.664 ( 7.844 3.372 -3.653) 9.287 7.243 ( -5.490 -6.741 7.262) 11.328 7.243 ( -5.490 6.741 7.262) 11.328 7.408 ( -1.990 -3.375 -0.296) 3.929 7.408 ( -1.990 3.375 -0.296) 3.929 7.822 ( 6.319 -6.656 -0.164) 9.179 7.822 ( 6.319 6.656 -0.164) 9.179 8.200 ( 3.404 -5.093 -0.108) 6.127 8.200 ( 3.404 5.093 -0.108) 6.127 8.392 ( -7.480 -10.331 1.324) 12.823 8.392 ( -7.480 10.331 1.324) 12.823 8.704 ( -6.382 -4.979 -1.591) 8.249 8.704 ( -6.382 4.979 -1.591) 8.249 9.213 ( 4.763 -14.102 -1.370) 14.948 9.213 ( 4.763 14.102 -1.370) 14.948 10.437 ( -3.955 -8.610 2.733) 9.861 10.437 ( -3.955 8.610 2.733) 9.861 10.789 ( -3.445 -10.723 -3.537) 11.805 10.789 ( -3.445 10.723 -3.537) 11.805 11.109 ( 1.344 -3.973 -2.032) 4.660 11.109 ( 1.344 3.973 -2.032) 4.660 11.630 ( -1.206 -10.868 2.450) 11.205 11.630 ( -1.206 10.868 2.450) 11.205 11.836 ( 3.181 -0.381 -0.155) 3.208 11.836 ( 3.181 0.381 -0.155) 3.208 12.080 ( 5.164 -6.975 -0.601) 8.699 12.080 ( 5.164 6.975 -0.601) 8.699 12.636 ( -3.141 -4.946 1.087) 5.959 12.636 ( -3.141 4.946 1.087) 5.959 12.807 ( -1.623 -3.250 -0.669) 3.694 12.807 ( -1.623 3.250 -0.669) 3.694 ======================= Grid point 299 (156/192) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -2.725 -10.172 2.145) 10.747 3.247 ( -2.725 10.172 2.145) 10.747 3.463 ( 2.787 -17.319 3.527) 17.893 3.463 ( 2.787 17.319 3.527) 17.893 3.775 ( -1.333 -12.725 -1.015) 12.835 3.775 ( -1.333 12.725 -1.015) 12.835 3.959 ( 0.779 -17.302 -3.614) 17.692 3.959 ( 0.779 17.302 -3.614) 17.692 5.173 ( 1.735 -9.302 -0.436) 9.472 5.173 ( 1.735 9.302 -0.436) 9.472 5.376 ( 0.433 -16.023 -0.326) 16.032 5.376 ( 0.433 16.023 -0.326) 16.032 5.749 ( -7.646 -3.869 2.310) 8.875 5.749 ( -7.646 3.869 2.310) 8.875 6.274 ( 2.564 -5.815 -1.273) 6.481 6.274 ( 2.564 5.815 -1.273) 6.481 6.778 ( 8.004 -4.952 -4.338) 10.364 6.778 ( 8.004 4.952 -4.338) 10.364 7.237 ( -3.615 -5.115 8.651) 10.680 7.237 ( -3.615 5.115 8.651) 10.680 7.396 ( -0.356 -5.691 1.928) 6.019 7.396 ( -0.356 5.691 1.928) 6.019 7.852 ( -0.477 -2.659 -1.520) 3.099 7.852 ( -0.477 2.659 -1.520) 3.099 8.146 ( 0.354 -2.281 -7.737) 8.074 8.146 ( 0.354 2.281 -7.737) 8.074 8.432 ( -3.721 -5.298 2.404) 6.906 8.432 ( -3.721 5.298 2.404) 6.906 8.558 ( -2.766 -14.189 2.661) 14.699 8.558 ( -2.766 14.189 2.661) 14.699 9.284 ( 3.806 -16.647 -0.676) 17.090 9.284 ( 3.806 16.647 -0.676) 17.090 10.395 ( -3.243 -7.082 1.959) 8.032 10.395 ( -3.243 7.082 1.959) 8.032 10.709 ( -1.857 -12.127 -2.414) 12.504 10.709 ( -1.856 12.127 -2.414) 12.504 11.119 ( 2.004 -5.049 -2.205) 5.862 11.119 ( 2.004 5.049 -2.205) 5.862 11.609 ( -2.246 -10.136 1.116) 10.441 11.609 ( -2.246 10.136 1.116) 10.441 11.913 ( 4.334 -1.309 1.031) 4.644 11.913 ( 4.334 1.309 1.031) 4.644 12.141 ( 1.633 -7.413 -0.705) 7.623 12.141 ( 1.633 7.413 -0.705) 7.623 12.603 ( -1.745 -5.204 1.675) 5.739 12.603 ( -1.745 5.204 1.675) 5.739 12.765 ( -1.495 -3.084 -1.565) 3.768 12.765 ( -1.495 3.084 -1.565) 3.768 ======================= Grid point 341 (157/192) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 1.559 0.000 -20.959) 21.017 1.792 ( -1.559 0.000 20.959) 21.017 1.887 ( -1.096 0.000 -26.360) 26.383 1.887 ( 1.096 0.000 26.360) 26.383 3.119 ( 2.170 0.000 -41.101) 41.158 3.119 ( -2.170 0.000 41.101) 41.158 3.898 ( 0.188 0.000 -8.213) 8.215 3.898 ( -0.188 0.000 8.213) 8.215 4.824 ( 1.123 0.000 -3.464) 3.641 4.824 ( -1.123 0.000 3.464) 3.641 5.108 ( -6.157 0.000 -4.566) 7.666 5.108 ( 6.157 0.000 4.566) 7.666 5.637 ( 3.492 0.000 -11.132) 11.667 5.637 ( -3.492 0.000 11.132) 11.667 6.170 ( -10.087 0.000 -1.998) 10.282 6.170 ( 10.087 0.000 1.998) 10.282 6.724 ( -18.323 0.000 5.069) 19.011 6.724 ( 18.323 0.000 -5.069) 19.011 7.228 ( -0.107 0.000 -4.660) 4.662 7.228 ( 0.107 0.000 4.660) 4.662 7.485 ( 2.352 0.000 -6.092) 6.531 7.485 ( -2.352 0.000 6.092) 6.531 7.794 ( 4.319 0.000 -2.659) 5.072 7.794 ( -4.319 0.000 2.659) 5.072 8.165 ( -11.341 0.000 -1.959) 11.509 8.165 ( 11.341 0.000 1.959) 11.509 8.599 ( -4.502 0.000 -0.632) 4.546 8.599 ( 4.502 0.000 0.632) 4.546 9.136 ( -8.614 0.000 -2.060) 8.857 9.136 ( 8.614 0.000 2.060) 8.857 9.386 ( -9.828 0.000 3.141) 10.318 9.386 ( 9.828 0.000 -3.141) 10.318 10.287 ( 0.362 0.000 -1.269) 1.320 10.287 ( -0.362 0.000 1.269) 1.320 10.643 ( 2.890 0.000 -2.645) 3.918 10.643 ( -2.890 0.000 2.645) 3.918 11.203 ( 1.625 0.000 -5.455) 5.692 11.203 ( -1.625 0.000 5.455) 5.692 11.445 ( -0.275 0.000 -0.223) 0.355 11.445 ( 0.275 0.000 0.223) 0.355 11.693 ( 1.426 0.000 -3.327) 3.620 11.693 ( -1.426 0.000 3.327) 3.620 12.373 ( -1.701 0.000 -0.073) 1.703 12.373 ( 1.701 0.000 0.073) 1.703 12.476 ( 1.387 0.000 -0.623) 1.521 12.476 ( -1.387 0.000 0.623) 1.521 12.699 ( -0.075 0.000 -0.297) 0.307 12.699 ( 0.075 0.000 0.297) 0.307 ======================= Grid point 343 (158/192) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 10.610 0.000 -25.191) 27.334 1.671 ( 9.324 0.000 -25.125) 26.800 2.087 ( 11.498 0.000 12.149) 16.728 2.286 ( 12.928 0.000 23.148) 26.513 2.838 ( 14.814 0.000 -42.180) 44.706 3.419 ( -2.846 0.000 22.417) 22.597 3.800 ( -4.138 0.000 -2.632) 4.904 3.945 ( -3.837 0.000 8.917) 9.707 4.834 ( -0.428 0.000 0.648) 0.776 4.873 ( 1.478 0.000 5.221) 5.426 4.976 ( -0.744 0.000 -3.042) 3.131 5.194 ( -1.100 0.000 2.105) 2.375 5.618 ( 4.266 0.000 -6.691) 7.935 5.690 ( -4.348 0.000 14.729) 15.358 5.992 ( -5.205 0.000 -4.856) 7.118 6.345 ( 6.264 0.000 -1.784) 6.513 6.521 ( -8.203 0.000 6.450) 10.435 7.013 ( 15.294 0.000 -4.663) 15.989 7.132 ( -3.391 0.000 -7.768) 8.476 7.215 ( -3.741 0.000 -0.288) 3.752 7.475 ( 0.240 0.000 -1.165) 1.190 7.525 ( -1.188 0.000 9.314) 9.389 7.718 ( -4.038 0.000 0.053) 4.038 7.778 ( -1.373 0.000 -5.825) 5.985 8.053 ( -1.258 0.000 6.159) 6.286 8.329 ( -1.966 0.000 0.166) 1.973 8.484 ( -3.511 0.000 0.783) 3.598 8.637 ( 0.127 0.000 -0.457) 0.474 8.971 ( -1.834 0.000 -4.954) 5.282 9.165 ( -6.165 0.000 0.673) 6.201 9.385 ( 4.882 0.000 2.922) 5.690 9.578 ( 8.913 0.000 3.632) 9.625 10.273 ( -0.827 0.000 -1.848) 2.024 10.297 ( 0.421 0.000 1.134) 1.210 10.583 ( -5.899 0.000 2.105) 6.263 10.634 ( -0.235 0.000 -3.846) 3.853 11.187 ( 2.231 0.000 -5.374) 5.819 11.240 ( -0.079 0.000 5.401) 5.402 11.435 ( -0.457 0.000 0.367) 0.586 11.439 ( -1.382 0.000 0.282) 1.410 11.697 ( 2.354 0.000 -2.737) 3.610 11.701 ( -1.491 0.000 3.321) 3.640 12.348 ( -0.939 0.000 0.130) 0.948 12.403 ( 1.552 0.000 -0.283) 1.578 12.456 ( -1.507 0.000 0.698) 1.661 12.494 ( 1.296 0.000 -0.795) 1.520 12.707 ( 0.328 0.000 0.167) 0.368 12.707 ( 0.930 0.000 0.666) 1.144 ======================= Grid point 344 (159/192) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 19.204 0.000 -20.847) 28.344 1.707 ( 19.232 0.000 -21.726) 29.016 2.409 ( 10.933 0.000 8.385) 13.778 2.748 ( 14.470 0.000 18.412) 23.417 2.916 ( 33.801 0.000 -31.420) 46.149 3.346 ( -13.377 0.000 -1.499) 13.460 3.775 ( -2.483 0.000 7.585) 7.981 3.931 ( -6.883 0.000 7.989) 10.545 4.801 ( -1.835 0.000 0.310) 1.861 4.959 ( 2.705 0.000 3.759) 4.631 5.040 ( 4.470 0.000 2.947) 5.354 5.163 ( -3.054 0.000 2.520) 3.959 5.619 ( 1.181 0.000 -5.044) 5.181 5.771 ( -3.298 0.000 15.741) 16.083 5.909 ( 1.459 0.000 -4.343) 4.582 6.329 ( -3.658 0.000 2.071) 4.203 6.536 ( 0.308 0.000 -0.150) 0.343 6.953 ( -6.151 0.000 -11.620) 13.148 7.090 ( -0.771 0.000 -4.293) 4.362 7.118 ( -3.950 0.000 -2.569) 4.712 7.467 ( -1.791 0.000 2.026) 2.704 7.480 ( -8.665 0.000 -0.816) 8.703 7.748 ( 2.498 0.000 0.719) 2.599 7.814 ( 7.785 0.000 7.680) 10.935 8.059 ( -14.042 0.000 -8.128) 16.224 8.141 ( 1.635 0.000 5.717) 5.946 8.586 ( 8.046 0.000 4.674) 9.305 8.627 ( 1.042 0.000 -1.876) 2.146 8.995 ( 5.672 0.000 -2.382) 6.151 9.040 ( -7.208 0.000 1.025) 7.281 9.491 ( 4.279 0.000 0.056) 4.279 9.706 ( -0.046 0.000 4.511) 4.511 10.204 ( -4.648 0.000 -1.834) 4.997 10.323 ( 1.161 0.000 0.794) 1.406 10.490 ( -6.651 0.000 2.928) 7.267 10.573 ( -1.761 0.000 -4.260) 4.610 11.178 ( 2.524 0.000 -5.141) 5.727 11.300 ( 1.101 0.000 4.737) 4.864 11.397 ( -3.117 0.000 -0.359) 3.138 11.448 ( 1.553 0.000 0.717) 1.710 11.697 ( -2.534 0.000 3.035) 3.954 11.715 ( 1.857 0.000 -2.510) 3.123 12.344 ( 0.089 0.000 0.619) 0.625 12.422 ( 1.229 0.000 -1.012) 1.592 12.437 ( -1.433 0.000 1.036) 1.768 12.507 ( 1.082 0.000 -1.095) 1.539 12.711 ( 0.134 0.000 0.000) 0.134 12.739 ( 0.641 0.000 2.099) 2.195 ======================= Grid point 345 (160/192) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 22.286 0.000 -12.109) 25.363 1.935 ( 25.375 0.000 -15.295) 29.628 2.603 ( 3.583 0.000 5.035) 6.179 2.981 ( -6.848 0.000 -3.975) 7.919 3.218 ( 0.717 0.000 21.034) 21.046 3.364 ( 37.605 0.000 -17.589) 41.515 3.792 ( 1.221 0.000 -1.131) 1.664 3.845 ( -9.981 0.000 5.260) 11.282 4.789 ( -0.071 0.000 0.404) 0.410 5.027 ( 2.135 0.000 -0.153) 2.141 5.126 ( -4.305 0.000 1.307) 4.499 5.130 ( 0.318 0.000 5.437) 5.447 5.604 ( 2.246 0.000 -0.677) 2.346 5.864 ( -1.861 0.000 12.782) 12.917 5.964 ( 8.318 0.000 -1.695) 8.488 6.312 ( -0.428 0.000 2.070) 2.114 6.445 ( -8.585 0.000 -1.429) 8.703 6.706 ( -6.104 0.000 -14.485) 15.719 6.947 ( -11.118 0.000 -1.577) 11.229 7.056 ( -0.221 0.000 -3.309) 3.316 7.334 ( -2.450 0.000 -4.711) 5.310 7.439 ( -4.157 0.000 2.431) 4.815 7.742 ( -8.454 0.000 -7.164) 11.081 7.835 ( 0.714 0.000 3.767) 3.834 8.029 ( 3.918 0.000 7.197) 8.195 8.171 ( -0.535 0.000 1.454) 1.549 8.661 ( 3.882 0.000 -0.788) 3.961 8.821 ( 11.532 0.000 3.563) 12.070 8.975 ( -1.372 0.000 2.859) 3.171 9.053 ( 2.433 0.000 -2.247) 3.312 9.532 ( 1.959 0.000 -2.231) 2.969 9.682 ( -4.547 0.000 1.544) 4.802 10.112 ( -4.081 0.000 2.109) 4.593 10.343 ( 0.436 0.000 -0.579) 0.725 10.404 ( -6.394 0.000 3.521) 7.299 10.499 ( -1.987 0.000 -3.664) 4.168 11.180 ( 2.813 0.000 -4.300) 5.139 11.327 ( -3.853 0.000 -0.502) 3.885 11.364 ( 1.415 0.000 3.335) 3.623 11.504 ( 3.785 0.000 0.034) 3.785 11.673 ( -3.088 0.000 3.024) 4.322 11.699 ( -0.764 0.000 -3.155) 3.246 12.361 ( 0.741 0.000 1.138) 1.358 12.427 ( -1.011 0.000 1.567) 1.865 12.429 ( 1.016 0.000 -1.602) 1.897 12.508 ( 0.361 0.000 -1.579) 1.620 12.714 ( 0.244 0.000 0.115) 0.270 12.759 ( -0.507 0.000 1.776) 1.846 ======================= Grid point 346 (161/192) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 19.894 0.000 -5.076) 20.531 2.285 ( 25.636 0.000 -10.480) 27.695 2.638 ( -4.187 0.000 3.025) 5.165 2.795 ( -10.193 0.000 2.705) 10.546 3.398 ( -4.283 0.000 16.587) 17.131 3.671 ( -11.043 0.000 0.096) 11.044 3.802 ( 20.857 0.000 -6.916) 21.974 3.851 ( 9.477 0.000 -5.331) 10.874 4.803 ( 1.003 0.000 1.001) 1.417 4.976 ( -6.420 0.000 -2.007) 6.727 5.078 ( 3.431 0.000 -6.382) 7.246 5.147 ( -4.975 0.000 6.805) 8.430 5.699 ( 5.593 0.000 3.871) 6.802 5.936 ( -1.524 0.000 5.685) 5.886 6.193 ( 17.044 0.000 -2.924) 17.293 6.254 ( -11.175 0.000 6.650) 13.004 6.371 ( 4.344 0.000 0.313) 4.356 6.491 ( -3.437 0.000 -8.003) 8.710 6.726 ( -11.314 0.000 1.206) 11.378 6.996 ( -3.234 0.000 -6.793) 7.524 7.289 ( 0.836 0.000 -3.840) 3.929 7.353 ( -6.972 0.000 1.576) 7.148 7.592 ( -1.492 0.000 -4.505) 4.746 7.745 ( -8.831 0.000 -1.826) 9.018 8.145 ( 2.571 0.000 5.177) 5.780 8.223 ( 1.465 0.000 3.336) 3.643 8.754 ( 7.249 0.000 0.797) 7.292 8.993 ( 4.890 0.000 -1.564) 5.134 8.999 ( -0.420 0.000 2.361) 2.398 9.038 ( -1.425 0.000 -2.410) 2.800 9.569 ( 4.326 0.000 -0.970) 4.434 9.621 ( -2.766 0.000 1.815) 3.309 10.119 ( 0.187 0.000 6.002) 6.005 10.311 ( -2.075 0.000 -3.017) 3.662 10.337 ( -4.411 0.000 3.916) 5.899 10.426 ( -2.245 0.000 -4.407) 4.946 11.198 ( 3.162 0.000 -3.121) 4.443 11.265 ( -2.977 0.000 0.940) 3.122 11.417 ( 2.033 0.000 1.952) 2.818 11.559 ( 1.419 0.000 -1.458) 2.035 11.636 ( -0.951 0.000 -3.743) 3.862 11.652 ( -2.743 0.000 3.699) 4.605 12.389 ( 0.845 0.000 1.532) 1.749 12.427 ( 0.626 0.000 -1.858) 1.961 12.432 ( -0.395 0.000 2.137) 2.173 12.488 ( -0.440 0.000 -2.179) 2.223 12.724 ( 0.648 0.000 0.261) 0.699 12.757 ( -0.998 0.000 0.707) 1.223 ======================= Grid point 347 (162/192) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -11.250 0.000 1.774) 11.389 2.498 ( 11.250 0.000 -1.774) 11.389 2.613 ( 16.742 0.000 -7.812) 18.475 2.613 ( -16.742 0.000 7.812) 18.475 3.484 ( -4.944 0.000 -5.192) 7.169 3.484 ( 4.944 0.000 5.192) 7.169 3.948 ( -0.534 0.000 -0.417) 0.677 3.948 ( 0.534 0.000 0.417) 0.677 4.856 ( -3.577 0.000 -2.134) 4.165 4.856 ( 3.577 0.000 2.134) 4.165 5.103 ( 6.861 0.000 -7.975) 10.520 5.103 ( -6.861 0.000 7.975) 10.520 5.857 ( -6.559 0.000 -4.239) 7.810 5.857 ( 6.559 0.000 4.239) 7.810 6.241 ( 5.769 0.000 -19.867) 20.688 6.241 ( -5.769 0.000 19.867) 20.688 6.481 ( -6.557 0.000 1.796) 6.799 6.481 ( 6.557 0.000 -1.796) 6.799 6.747 ( -10.913 0.000 -12.387) 16.508 6.747 ( 10.913 0.000 12.387) 16.508 7.281 ( 2.660 0.000 -2.980) 3.995 7.281 ( -2.660 0.000 2.980) 3.995 7.602 ( -5.013 0.000 0.522) 5.040 7.602 ( 5.013 0.000 -0.522) 5.040 8.223 ( -2.266 0.000 -1.158) 2.545 8.223 ( 2.266 0.000 1.158) 2.545 8.925 ( -7.996 0.000 -2.622) 8.415 8.925 ( 7.996 0.000 2.622) 8.415 9.007 ( 1.129 0.000 -3.257) 3.448 9.007 ( -1.129 0.000 3.257) 3.448 9.617 ( 1.461 0.000 -1.964) 2.448 9.617 ( -1.461 0.000 1.964) 2.448 10.216 ( -3.238 0.000 -5.860) 6.695 10.216 ( 3.238 0.000 5.860) 6.695 10.343 ( -0.492 0.000 -5.052) 5.076 10.343 ( 0.492 0.000 5.052) 5.076 11.230 ( 3.002 0.000 -2.257) 3.756 11.230 ( -3.002 0.000 2.257) 3.756 11.492 ( -4.029 0.000 -2.233) 4.607 11.492 ( 4.029 0.000 2.233) 4.607 11.638 ( 3.085 0.000 -3.752) 4.857 11.638 ( -3.085 0.000 3.752) 4.857 12.415 ( -0.106 0.000 -1.741) 1.744 12.415 ( 0.106 0.000 1.741) 1.744 12.455 ( -0.419 0.000 -2.480) 2.515 12.455 ( 0.419 0.000 2.480) 2.515 12.741 ( -0.979 0.000 -0.042) 0.980 12.741 ( 0.979 0.000 0.042) 0.980 ======================= Grid point 353 (163/192) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.590 15.273 -22.816) 27.463 1.982 ( 0.590 15.273 22.816) 27.463 2.025 ( -0.943 13.957 -23.269) 27.150 2.025 ( 0.943 13.957 23.269) 27.150 3.229 ( 2.229 11.349 -33.021) 34.988 3.229 ( -2.229 11.349 33.021) 34.988 3.892 ( -0.039 -0.339 -9.619) 9.625 3.892 ( 0.039 -0.339 9.619) 9.625 4.917 ( 2.974 7.783 -4.566) 9.501 4.917 ( -2.974 7.783 4.566) 9.501 5.144 ( -3.301 3.046 -3.840) 5.910 5.144 ( 3.301 3.046 3.840) 5.910 5.699 ( 3.790 5.618 -12.334) 14.074 5.699 ( -3.790 5.618 12.334) 14.074 6.123 ( -4.489 -2.688 -2.368) 5.743 6.123 ( 4.489 -2.688 2.368) 5.743 6.828 ( -13.533 7.626 0.047) 15.534 6.828 ( 13.533 7.626 -0.047) 15.534 7.201 ( -0.178 -2.489 -6.764) 7.210 7.201 ( 0.178 -2.489 6.764) 7.210 7.429 ( 5.122 -5.038 -4.972) 8.737 7.429 ( -5.122 -5.038 4.972) 8.737 7.729 ( 1.158 -5.358 -2.555) 6.048 7.729 ( -1.158 -5.358 2.555) 6.048 8.177 ( -7.248 1.186 -2.026) 7.619 8.177 ( 7.248 1.186 2.026) 7.619 8.501 ( -3.197 -8.044 -2.018) 8.888 8.501 ( 3.197 -8.044 2.018) 8.888 8.909 ( -4.158 -18.523 -6.449) 20.050 8.909 ( 4.158 -18.523 6.449) 20.050 9.373 ( -2.343 2.157 -6.251) 7.016 9.373 ( 2.343 2.157 6.251) 7.016 10.424 ( 1.060 7.077 -3.912) 8.156 10.424 ( -1.060 7.077 3.912) 8.156 10.661 ( 0.721 3.051 -2.758) 4.175 10.661 ( -0.721 3.051 2.758) 4.175 11.194 ( 1.188 -1.811 -3.190) 3.856 11.194 ( -1.188 -1.811 3.190) 3.856 11.493 ( -1.052 4.011 -0.308) 4.158 11.493 ( 1.052 4.011 0.308) 4.158 11.793 ( -0.027 8.411 -3.960) 9.296 11.793 ( 0.027 8.411 3.960) 9.296 12.370 ( -1.663 -1.046 -0.275) 1.983 12.370 ( 1.663 -1.046 0.275) 1.983 12.412 ( -0.668 -4.035 -0.029) 4.090 12.412 ( 0.668 -4.035 0.029) 4.090 12.732 ( 0.302 2.184 -0.653) 2.300 12.732 ( -0.302 2.184 0.653) 2.300 ======================= Grid point 355 (164/192) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 7.949 14.213 -26.084) 30.750 1.837 ( 10.698 15.983 -21.905) 29.150 2.272 ( 8.605 16.802 14.647) 23.893 2.370 ( 11.189 8.085 21.780) 25.786 3.026 ( 13.245 17.720 -33.840) 40.430 3.488 ( -1.155 7.182 20.171) 21.443 3.763 ( -4.900 -1.848 -6.584) 8.412 3.959 ( -2.879 0.238 9.722) 10.142 4.887 ( -4.092 4.027 2.290) 6.181 4.937 ( 3.005 6.276 -1.642) 7.150 5.064 ( -2.049 7.287 -0.567) 7.591 5.199 ( -2.049 0.072 4.441) 4.891 5.667 ( 3.053 6.500 -7.710) 10.536 5.775 ( -1.460 5.162 12.409) 13.519 6.019 ( -2.607 4.382 -2.781) 5.808 6.266 ( 8.849 -7.837 -0.946) 11.858 6.603 ( -10.956 8.760 3.115) 14.369 7.063 ( 2.672 -2.504 -5.091) 6.271 7.147 ( 6.134 5.507 -3.809) 9.081 7.231 ( -1.186 1.511 -0.498) 1.984 7.378 ( -4.056 -10.386 6.447) 12.879 7.461 ( 1.195 -3.050 0.884) 3.392 7.651 ( -4.240 -5.189 0.850) 6.755 7.753 ( 1.659 -3.073 -3.926) 5.255 8.092 ( -1.366 0.947 2.811) 3.265 8.252 ( -4.952 -5.110 -2.330) 7.487 8.417 ( -0.792 -5.115 -0.120) 5.178 8.555 ( 1.727 -8.090 -0.426) 8.283 8.827 ( 1.238 -10.430 -2.216) 10.734 9.021 ( 1.236 -12.214 5.135) 13.307 9.273 ( -0.087 -9.772 -6.735) 11.868 9.506 ( 6.778 2.431 1.556) 7.367 10.386 ( -2.278 5.682 0.818) 6.176 10.451 ( -0.479 9.103 1.288) 9.206 10.591 ( -5.006 0.793 0.832) 5.136 10.674 ( -0.679 4.998 -1.202) 5.185 11.192 ( 1.217 -0.984 -1.913) 2.471 11.225 ( 1.076 -1.938 2.858) 3.617 11.442 ( -3.692 0.686 1.695) 4.120 11.516 ( 0.005 6.658 -0.015) 6.658 11.765 ( 0.914 6.186 -2.908) 6.897 11.833 ( -0.289 9.816 3.794) 10.528 12.344 ( -0.898 -1.153 -0.002) 1.462 12.401 ( 0.978 -0.431 0.297) 1.109 12.405 ( 0.058 -5.987 0.100) 5.988 12.429 ( 1.019 -1.678 0.131) 1.968 12.730 ( 0.076 1.879 0.513) 1.949 12.741 ( 0.584 1.956 -0.337) 2.069 ======================= Grid point 356 (165/192) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 17.367 13.030 -21.289) 30.408 1.935 ( 18.564 18.173 -15.652) 30.329 2.569 ( 10.892 14.384 8.240) 19.835 2.794 ( 13.004 4.580 18.102) 22.754 3.088 ( 26.312 16.047 -26.812) 40.850 3.419 ( -12.379 7.216 -3.947) 14.863 3.718 ( -2.406 -2.549 8.644) 9.327 3.970 ( -5.087 1.549 6.618) 8.489 4.843 ( -1.949 3.164 0.375) 3.735 4.989 ( 2.177 -0.816 1.612) 2.829 5.053 ( 0.438 7.295 2.030) 7.584 5.200 ( -3.634 0.414 7.396) 8.251 5.636 ( -0.038 6.135 -5.278) 8.093 5.845 ( 1.197 -0.062 1.205) 1.699 6.001 ( 1.175 11.062 2.341) 11.368 6.395 ( 4.427 -4.254 0.564) 6.166 6.476 ( -7.062 7.186 2.866) 10.475 6.952 ( -5.128 -1.614 -5.854) 7.949 7.108 ( -3.822 -3.285 -1.625) 5.295 7.193 ( -1.523 8.324 -6.363) 10.588 7.329 ( -5.304 -6.785 -2.625) 9.003 7.514 ( -2.346 0.050 5.068) 5.585 7.684 ( 4.106 -9.109 5.338) 11.328 7.778 ( 5.359 -0.112 -1.175) 5.487 7.968 ( -8.707 -7.483 -8.429) 14.243 8.220 ( 0.800 6.617 6.976) 9.648 8.417 ( 1.280 -9.895 -2.078) 10.191 8.612 ( 4.585 -7.162 2.183) 8.780 8.856 ( 2.395 -5.808 -0.126) 6.283 9.029 ( -2.663 -6.593 0.297) 7.117 9.302 ( 7.516 -13.409 -1.398) 15.435 9.601 ( 1.959 -2.679 -1.024) 3.473 10.352 ( -3.591 6.384 2.204) 7.649 10.424 ( -1.618 9.464 -1.403) 9.703 10.516 ( -5.671 -0.583 3.763) 6.831 10.619 ( -3.290 6.309 -1.754) 7.329 11.196 ( 1.447 0.521 -2.681) 3.091 11.277 ( 0.863 -2.046 3.027) 3.755 11.412 ( -0.864 -2.105 2.154) 3.133 11.495 ( -1.678 8.027 -0.561) 8.220 11.762 ( 1.059 4.497 -2.198) 5.117 11.846 ( -1.856 10.382 2.698) 10.886 12.336 ( -0.339 -2.098 0.401) 2.163 12.397 ( -0.319 -2.082 -0.701) 2.219 12.419 ( 0.255 -4.445 0.819) 4.527 12.449 ( 1.178 0.121 -0.367) 1.239 12.741 ( 0.186 1.893 0.663) 2.014 12.749 ( 0.533 0.957 0.335) 1.145 ======================= Grid point 357 (166/192) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 23.315 11.129 -13.578) 29.186 2.164 ( 19.776 18.951 -9.531) 29.002 2.772 ( 4.135 14.659 4.572) 15.903 3.056 ( -4.038 6.801 -2.878) 8.417 3.237 ( 0.709 2.110 16.782) 16.929 3.441 ( 30.157 8.003 -15.128) 34.675 3.731 ( -2.932 -1.928 3.638) 5.054 3.899 ( -6.216 2.277 0.496) 6.638 4.827 ( 0.098 3.316 -0.021) 3.317 5.034 ( -0.699 -4.234 3.716) 5.677 5.101 ( 1.994 6.552 1.030) 6.926 5.195 ( -5.093 0.578 6.943) 8.630 5.585 ( -0.063 3.675 -2.428) 4.405 5.869 ( 3.528 -3.769 -4.115) 6.602 6.087 ( 5.184 9.891 3.688) 11.760 6.371 ( -7.015 1.795 2.052) 7.526 6.431 ( -0.831 6.563 1.264) 6.735 6.786 ( -7.092 2.019 -3.495) 8.160 7.036 ( -6.746 10.800 -9.025) 15.608 7.066 ( -1.358 -0.373 -1.820) 2.301 7.204 ( -2.455 -9.159 -3.960) 10.276 7.489 ( -3.136 2.382 1.048) 4.075 7.711 ( -4.646 -2.621 -3.012) 6.127 7.799 ( 1.356 -5.499 0.841) 5.726 7.967 ( 4.594 -2.360 5.704) 7.695 8.199 ( -4.094 1.616 -0.322) 4.413 8.468 ( 3.746 -12.686 0.144) 13.228 8.735 ( 5.000 -10.463 3.247) 12.043 8.923 ( 3.913 -5.047 -0.688) 6.423 9.037 ( 4.613 -2.206 2.569) 5.722 9.432 ( 5.486 -7.342 1.391) 9.270 9.538 ( -5.382 -6.610 -3.798) 9.332 10.305 ( -2.956 9.639 1.975) 10.273 10.390 ( -1.988 4.382 0.091) 4.813 10.450 ( -4.904 1.330 2.141) 5.513 10.546 ( -3.037 7.682 -0.409) 8.271 11.180 ( 0.163 0.974 -3.275) 3.421 11.298 ( -1.217 -4.242 1.841) 4.781 11.437 ( -0.236 5.954 1.145) 6.068 11.495 ( 4.086 1.331 0.255) 4.305 11.744 ( -1.128 4.073 -1.890) 4.630 11.819 ( -2.866 10.730 0.807) 11.136 12.332 ( -0.651 -5.026 0.567) 5.100 12.396 ( 0.760 -1.131 -0.020) 1.363 12.423 ( -0.423 -4.398 0.064) 4.419 12.460 ( 0.708 0.901 -0.919) 1.469 12.748 ( 0.344 2.363 -0.001) 2.388 12.762 ( -0.100 0.329 1.137) 1.188 ======================= Grid point 358 (167/192) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 23.302 8.600 -9.018) 26.425 2.446 ( 17.880 16.601 -4.067) 24.735 2.806 ( -5.019 13.700 4.226) 15.191 2.895 ( -8.044 10.865 0.472) 13.527 3.424 ( -2.084 2.833 14.298) 14.725 3.663 ( -7.898 -1.328 2.175) 8.298 3.798 ( 16.683 1.543 -8.058) 18.591 3.825 ( 4.984 -2.314 -5.058) 7.469 4.848 ( 2.310 4.210 -0.159) 4.804 5.001 ( -5.601 -0.158 1.633) 5.836 5.126 ( 2.297 4.835 -3.595) 6.448 5.161 ( -4.740 0.896 5.375) 7.222 5.619 ( 2.833 -1.522 4.012) 5.142 5.858 ( 0.346 -6.332 -7.849) 10.090 6.291 ( 10.589 3.399 5.857) 12.570 6.297 ( -2.879 4.075 5.236) 7.233 6.416 ( 0.081 5.290 -1.504) 5.500 6.673 ( -3.871 11.351 2.508) 12.252 6.818 ( -7.990 13.157 -5.639) 16.393 6.961 ( -4.041 -3.015 -8.957) 10.278 7.200 ( 2.274 -5.292 0.766) 5.811 7.423 ( -4.906 3.446 -1.276) 6.130 7.610 ( -1.188 1.641 -4.261) 4.718 7.752 ( -7.166 0.378 -1.676) 7.370 8.028 ( 1.140 -9.315 5.312) 10.784 8.201 ( -0.801 -2.546 0.506) 2.717 8.578 ( 9.562 -12.519 2.609) 15.968 8.836 ( 2.459 -11.329 1.484) 11.688 8.954 ( 1.204 -5.361 -0.461) 5.514 9.138 ( -1.199 6.454 -1.859) 6.823 9.429 ( 0.446 -13.227 1.197) 13.288 9.523 ( 2.437 -4.405 0.911) 5.116 10.294 ( -0.558 5.558 1.705) 5.840 10.360 ( -1.435 7.486 2.433) 8.002 10.380 ( -3.323 1.871 -1.120) 3.975 10.493 ( -3.216 9.546 -0.635) 10.093 11.161 ( 1.284 -0.820 -2.035) 2.542 11.261 ( -3.521 -2.460 0.164) 4.299 11.473 ( 3.082 5.823 1.661) 6.795 11.593 ( 5.207 0.343 -0.519) 5.244 11.683 ( -3.468 5.940 -1.225) 6.986 11.765 ( -3.266 9.450 -0.130) 9.999 12.335 ( 0.265 -6.903 1.214) 7.014 12.399 ( -0.957 -7.388 -1.194) 7.545 12.421 ( 0.797 2.083 0.877) 2.396 12.457 ( 0.131 1.343 -1.119) 1.753 12.755 ( 0.437 2.277 -0.039) 2.319 12.766 ( -0.402 0.822 0.677) 1.138 ======================= Grid point 359 (168/192) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 1.575 8.510 -2.911) 9.131 2.626 ( -1.575 8.510 2.911) 9.131 2.748 ( -3.976 15.296 -3.186) 16.122 2.748 ( 3.976 15.296 3.186) 16.122 3.510 ( -4.428 2.792 -3.892) 6.523 3.510 ( 4.428 2.792 3.892) 6.523 3.896 ( 1.072 -4.036 -2.862) 5.063 3.896 ( -1.072 -4.036 2.862) 5.063 4.909 ( -2.552 3.888 -1.164) 4.794 4.909 ( 2.552 3.888 1.164) 4.794 5.134 ( 4.258 2.486 -6.236) 7.950 5.134 ( -4.258 2.486 6.236) 7.950 5.741 ( -3.336 -5.233 -8.128) 10.227 5.741 ( 3.336 -5.233 8.128) 10.227 6.331 ( -0.075 2.689 -6.675) 7.196 6.331 ( 0.075 2.689 6.675) 7.196 6.606 ( -5.876 6.941 -2.847) 9.530 6.606 ( 5.876 6.941 2.847) 9.530 6.764 ( -4.913 7.535 -9.285) 12.927 6.764 ( 4.913 7.535 9.285) 12.927 7.286 ( -4.378 -0.041 -4.056) 5.968 7.286 ( 4.378 -0.041 4.056) 5.968 7.623 ( -1.267 2.212 -1.264) 2.846 7.623 ( 1.267 2.212 1.264) 2.846 8.129 ( -3.359 -8.387 -4.434) 10.064 8.129 ( 3.359 -8.387 4.434) 10.064 8.799 ( -6.928 -10.049 -3.924) 12.821 8.799 ( 6.928 -10.049 3.924) 12.821 9.002 ( -3.485 -1.032 -3.668) 5.164 9.002 ( 3.485 -1.032 3.668) 5.164 9.518 ( -2.462 -7.271 -1.953) 7.921 9.518 ( 2.462 -7.271 1.953) 7.921 10.317 ( 0.025 1.199 -3.059) 3.285 10.317 ( -0.025 1.199 3.059) 3.285 10.410 ( -1.886 11.474 -3.906) 12.266 10.410 ( 1.886 11.474 3.906) 12.266 11.196 ( -3.068 -1.770 0.130) 3.544 11.196 ( 3.068 -1.770 -0.130) 3.544 11.565 ( -4.189 3.852 -2.731) 6.313 11.565 ( 4.189 3.852 2.731) 6.313 11.699 ( -2.002 6.889 -1.899) 7.421 11.699 ( 2.002 6.889 1.899) 7.421 12.363 ( -0.892 -7.210 -1.841) 7.495 12.363 ( 0.892 -7.210 1.841) 7.495 12.444 ( -0.461 1.597 -1.078) 1.981 12.444 ( 0.461 1.597 1.078) 1.981 12.762 ( 0.311 1.658 -0.416) 1.737 12.762 ( -0.311 1.658 0.416) 1.737 ======================= Grid point 365 (169/192) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -0.189 19.010 -20.901) 28.254 2.326 ( 0.189 19.010 20.901) 28.254 2.390 ( -1.543 18.819 -22.912) 29.690 2.390 ( 1.543 18.819 22.912) 29.690 3.582 ( 0.722 21.353 -14.646) 25.903 3.582 ( -0.722 21.353 14.646) 25.903 3.906 ( 0.906 3.230 -7.478) 8.196 3.906 ( -0.906 3.230 7.478) 8.196 5.020 ( 3.054 -1.565 -6.858) 7.669 5.020 ( -3.054 -1.565 6.858) 7.669 5.229 ( -3.802 6.085 -0.356) 7.184 5.229 ( 3.802 6.085 0.356) 7.184 5.829 ( 4.651 5.617 -10.257) 12.585 5.829 ( -4.651 5.617 10.257) 12.585 6.129 ( 1.324 3.973 -4.702) 6.296 6.129 ( -1.324 3.973 4.702) 6.296 6.882 ( -5.785 -3.878 -4.837) 8.479 6.882 ( 5.785 -3.878 4.837) 8.479 7.156 ( 0.346 -1.835 -3.989) 4.405 7.156 ( -0.346 -1.835 3.989) 4.405 7.363 ( 7.671 1.111 -3.617) 8.554 7.363 ( -7.671 1.111 3.617) 8.554 7.640 ( -3.279 -1.967 -1.095) 3.978 7.640 ( 3.279 -1.967 1.095) 3.978 8.171 ( -4.592 -4.431 -4.481) 7.797 8.171 ( 4.592 -4.431 4.481) 7.797 8.365 ( 1.438 -1.905 -4.599) 5.182 8.365 ( -1.438 -1.905 4.599) 5.182 8.595 ( -4.382 -10.240 -4.626) 12.061 8.595 ( 4.382 -10.240 4.626) 12.061 9.460 ( -7.172 5.240 -6.695) 11.123 9.460 ( 7.172 5.240 6.695) 11.123 10.435 ( 3.118 -3.751 -6.557) 8.172 10.435 ( -3.118 -3.751 6.557) 8.172 10.764 ( -4.481 3.418 1.099) 5.741 10.764 ( 4.481 3.418 -1.099) 5.741 11.132 ( 1.665 -3.308 -1.476) 3.986 11.132 ( -1.665 -3.308 1.476) 3.986 11.593 ( -4.389 5.276 -2.554) 7.323 11.593 ( 4.389 5.276 2.554) 7.323 11.922 ( 1.151 2.343 -4.747) 5.417 11.922 ( -1.151 2.343 4.747) 5.417 12.318 ( -2.560 -1.409 -1.293) 3.195 12.318 ( 2.560 -1.409 1.293) 3.195 12.395 ( -0.937 0.991 -0.745) 1.554 12.395 ( 0.937 0.991 0.745) 1.554 12.763 ( 0.279 0.785 -0.545) 0.996 12.763 ( -0.279 0.785 0.545) 0.996 ======================= Grid point 367 (170/192) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 5.407 20.163 -20.580) 29.314 2.225 ( 9.701 20.753 -18.849) 29.667 2.598 ( 7.431 13.827 18.165) 24.008 2.662 ( 5.440 18.808 19.031) 27.304 3.488 ( 7.371 24.610 -19.541) 32.278 3.704 ( 1.152 9.203 4.664) 10.382 3.822 ( -3.631 14.803 -2.326) 15.419 3.944 ( -2.929 -1.364 8.530) 9.122 4.956 ( -3.849 -2.148 -0.719) 4.466 4.981 ( -3.964 -1.890 -1.274) 4.573 5.177 ( -2.922 1.161 3.659) 4.824 5.300 ( 2.322 12.636 -0.956) 12.883 5.820 ( 2.578 4.936 -3.030) 6.340 5.904 ( 2.551 8.485 1.385) 8.967 6.100 ( 1.340 -3.920 -1.934) 4.572 6.173 ( 2.420 6.988 2.698) 7.872 6.759 ( -3.537 1.875 -1.769) 4.377 6.977 ( 0.489 -3.045 -0.908) 3.215 7.110 ( -7.544 -8.512 0.293) 11.378 7.185 ( -1.047 -3.294 5.295) 6.323 7.323 ( 4.048 3.086 5.909) 7.799 7.442 ( 2.320 1.958 -3.834) 4.891 7.571 ( -2.454 -0.947 -1.074) 2.842 7.699 ( 2.411 -0.558 0.109) 2.477 7.966 ( -6.930 -9.928 -9.100) 15.145 8.204 ( -0.370 -3.493 -0.414) 3.537 8.381 ( 2.675 -1.454 1.125) 3.246 8.391 ( 2.834 -0.162 -2.372) 3.699 8.608 ( 2.525 -10.969 5.183) 12.392 8.827 ( 11.503 -4.698 6.610) 14.074 9.208 ( -9.848 2.450 -10.908) 14.898 9.589 ( 2.921 4.050 1.718) 5.281 10.403 ( -2.826 -3.018 2.078) 4.627 10.465 ( 0.013 -4.138 2.200) 4.686 10.675 ( -5.510 3.955 0.325) 6.790 10.809 ( 1.823 4.193 -1.958) 4.974 11.134 ( -0.138 -3.552 1.623) 3.908 11.176 ( 3.963 -2.018 -0.021) 4.447 11.468 ( -6.449 2.088 -0.581) 6.803 11.679 ( 1.939 8.276 1.627) 8.655 11.888 ( 0.061 4.235 -3.507) 5.499 11.946 ( -0.880 -0.009 3.480) 3.590 12.262 ( -1.914 -5.998 -0.615) 6.326 12.331 ( -1.058 1.060 0.019) 1.497 12.420 ( 1.723 1.671 1.290) 2.725 12.435 ( 2.358 1.465 0.677) 2.858 12.761 ( 0.015 1.030 -0.012) 1.031 12.768 ( 0.425 0.680 -0.199) 0.826 ======================= Grid point 368 (171/192) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 13.145 20.494 -15.720) 28.981 2.338 ( 18.169 19.841 -12.679) 29.741 2.904 ( 10.008 12.582 10.195) 19.037 2.949 ( 6.595 13.910 17.584) 23.370 3.429 ( 2.432 11.813 -15.599) 19.718 3.639 ( 0.035 15.074 -7.482) 16.829 3.823 ( -1.098 16.622 4.573) 17.274 3.967 ( -2.367 -0.700 5.445) 5.978 4.876 ( -6.399 -2.754 3.622) 7.852 4.927 ( 1.336 -5.488 -2.822) 6.314 5.169 ( -3.148 0.006 5.401) 6.251 5.306 ( -0.767 14.533 0.720) 14.571 5.835 ( 2.707 3.479 -4.160) 6.061 5.871 ( -1.697 11.268 -6.744) 13.241 6.145 ( 3.593 -0.229 -1.247) 3.810 6.303 ( 5.729 0.058 5.674) 8.063 6.703 ( -3.281 7.732 -0.135) 8.401 6.934 ( -7.816 -6.921 -1.133) 10.501 6.948 ( 0.125 -0.762 -2.573) 2.686 7.226 ( -2.103 -3.514 5.528) 6.879 7.309 ( -6.450 1.572 -8.036) 10.423 7.504 ( 2.668 -1.163 7.296) 7.855 7.544 ( -0.016 -2.407 2.202) 3.262 7.767 ( 3.176 0.338 -1.444) 3.505 7.822 ( 1.069 -5.438 -5.067) 7.509 8.222 ( 2.561 -7.339 -2.223) 8.084 8.422 ( 0.340 11.128 1.000) 11.178 8.452 ( 3.731 -6.201 0.904) 7.293 8.716 ( 4.385 -9.214 5.873) 11.773 8.863 ( -7.060 -4.019 -9.365) 12.398 9.160 ( 10.299 -2.971 4.160) 11.498 9.601 ( -2.044 1.555 -1.535) 2.992 10.369 ( -4.347 -3.259 3.946) 6.714 10.464 ( -2.284 -2.908 1.320) 3.926 10.593 ( -3.173 5.494 0.062) 6.345 10.795 ( -1.067 6.958 -1.452) 7.187 11.148 ( 0.341 -4.067 0.895) 4.178 11.270 ( 5.273 0.218 0.907) 5.355 11.363 ( -4.655 -1.071 0.403) 4.794 11.694 ( -0.946 10.072 0.257) 10.120 11.861 ( 0.086 4.059 -2.655) 4.850 11.959 ( -1.023 -0.567 2.978) 3.200 12.236 ( -0.715 -8.907 -0.369) 8.943 12.310 ( -1.736 0.870 0.233) 1.956 12.435 ( -0.117 2.191 -0.073) 2.195 12.483 ( 1.992 2.434 0.325) 3.162 12.765 ( 0.328 0.886 0.133) 0.954 12.777 ( 0.784 1.339 0.043) 1.552 ======================= Grid point 369 (172/192) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 17.963 17.972 -10.761) 27.594 2.577 ( 17.837 18.951 -7.657) 27.128 3.108 ( 2.418 15.986 5.562) 17.098 3.207 ( 3.974 7.343 3.909) 9.219 3.311 ( -0.564 4.725 5.888) 7.571 3.665 ( 7.115 13.146 -5.263) 15.847 3.804 ( -2.459 7.035 -1.643) 7.631 3.960 ( -1.292 8.596 0.189) 8.695 4.836 ( -3.144 -5.787 6.305) 9.117 4.943 ( 2.375 -5.623 -2.582) 6.627 5.162 ( -3.362 0.617 5.322) 6.325 5.296 ( -1.736 10.790 1.723) 11.063 5.769 ( -1.522 10.855 -6.552) 12.770 5.843 ( 2.393 3.836 -3.504) 5.720 6.198 ( 4.552 2.962 -1.927) 5.763 6.399 ( 0.452 -0.765 1.290) 1.566 6.574 ( -8.885 2.311 -1.176) 9.256 6.895 ( 1.532 10.319 2.972) 10.847 6.966 ( 3.570 -8.751 -0.693) 9.476 7.077 ( -6.399 0.090 -7.565) 9.908 7.246 ( -1.882 4.754 -1.890) 5.451 7.508 ( -2.765 -2.455 2.304) 4.356 7.625 ( 1.528 -2.199 5.853) 6.437 7.711 ( -2.213 -0.773 -3.775) 4.443 7.946 ( 7.352 -1.761 0.375) 7.569 8.193 ( -0.765 -2.223 -3.428) 4.156 8.358 ( -8.964 4.069 0.764) 9.874 8.533 ( 6.076 -6.206 -0.313) 8.691 8.771 ( 2.573 -7.891 -0.974) 8.357 8.914 ( 11.257 -8.250 5.344) 14.945 9.356 ( 5.721 -2.805 4.075) 7.563 9.474 ( -8.883 0.557 -4.025) 9.768 10.324 ( -4.418 -3.198 3.511) 6.486 10.423 ( -2.715 -0.828 0.190) 2.845 10.560 ( -0.578 6.834 -0.029) 6.858 10.765 ( -1.676 10.125 0.844) 10.298 11.166 ( 0.807 -4.573 0.373) 4.659 11.257 ( -4.480 1.863 -0.047) 4.852 11.419 ( 6.983 -2.828 0.948) 7.594 11.667 ( -1.126 9.965 -0.725) 10.054 11.833 ( -0.983 3.927 -1.546) 4.333 11.969 ( -0.581 1.172 1.641) 2.098 12.218 ( -1.106 -8.574 -0.810) 8.683 12.256 ( -3.786 -2.571 -0.218) 4.582 12.442 ( 1.267 1.824 -0.052) 2.221 12.509 ( 1.004 3.513 -0.586) 3.701 12.774 ( 0.460 0.791 0.246) 0.948 12.794 ( 0.680 2.155 0.246) 2.273 ======================= Grid point 370 (173/192) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 18.974 13.663 -8.143) 24.759 2.800 ( 11.170 15.384 -2.978) 19.244 3.093 ( -6.302 14.127 6.699) 16.857 3.205 ( -1.783 15.143 -0.126) 15.248 3.509 ( 5.293 3.066 7.556) 9.722 3.665 ( -3.859 5.111 -1.103) 6.499 3.773 ( 1.597 -0.246 -0.590) 1.720 3.935 ( 1.359 11.897 -5.607) 13.222 4.866 ( -1.924 -7.517 7.723) 10.948 4.936 ( 1.188 -4.584 -5.438) 7.211 5.168 ( -0.597 2.677 4.108) 4.939 5.271 ( -2.193 8.150 0.056) 8.440 5.718 ( 0.975 9.246 -1.794) 9.469 5.837 ( -0.217 5.850 -3.486) 6.813 6.296 ( 6.979 -0.307 -1.315) 7.108 6.382 ( -1.461 2.726 -0.626) 3.156 6.448 ( -3.446 -1.004 4.176) 5.507 6.881 ( -6.964 -1.521 -7.974) 10.695 6.964 ( 1.250 9.659 3.411) 10.319 7.087 ( 6.484 3.014 3.108) 7.797 7.138 ( -2.883 6.497 -5.809) 9.180 7.503 ( -2.142 4.390 0.500) 4.910 7.612 ( -0.878 -3.703 -6.738) 7.738 7.708 ( -0.429 -1.816 6.753) 7.006 7.932 ( -3.134 1.008 -2.643) 4.221 8.112 ( -7.358 -5.194 -3.623) 9.708 8.399 ( 10.358 -3.396 7.331) 13.136 8.630 ( 4.381 -6.427 -1.442) 7.911 8.833 ( 2.733 -5.316 2.087) 6.331 9.165 ( 4.816 -11.789 2.010) 12.892 9.240 ( -5.921 2.868 -3.042) 7.248 9.439 ( -0.227 -3.781 2.431) 4.501 10.290 ( -1.911 -1.800 2.093) 3.358 10.367 ( -3.158 -0.496 -0.740) 3.281 10.582 ( 2.904 9.297 0.342) 9.746 10.735 ( -3.492 11.354 1.242) 11.943 11.169 ( 0.294 -0.603 -1.859) 1.977 11.197 ( -2.584 -2.242 1.670) 3.807 11.540 ( 5.562 -0.229 -0.413) 5.582 11.655 ( -0.274 5.573 -0.034) 5.580 11.810 ( 0.165 6.121 0.419) 6.138 11.951 ( -2.268 6.223 -1.063) 6.708 12.174 ( -1.787 -7.129 -0.120) 7.350 12.207 ( -1.717 -10.747 -0.403) 10.891 12.471 ( 1.344 2.604 0.634) 2.998 12.511 ( 0.186 3.925 -1.076) 4.074 12.786 ( 0.576 1.155 0.268) 1.318 12.803 ( 0.086 2.314 0.068) 2.317 ======================= Grid point 371 (174/192) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 7.607 10.515 -5.603) 14.136 2.816 ( -7.607 10.515 5.603) 14.136 3.124 ( -2.650 17.555 -4.797) 18.390 3.124 ( 2.650 17.555 4.797) 18.390 3.591 ( -0.051 3.422 -0.537) 3.464 3.591 ( 0.051 3.422 0.537) 3.464 3.862 ( -2.944 4.275 -5.985) 7.923 3.862 ( 2.944 4.275 5.985) 7.923 4.902 ( 2.882 -6.514 -8.485) 11.078 4.902 ( -2.882 -6.514 8.485) 11.078 5.217 ( -1.876 6.438 -2.706) 7.232 5.217 ( 1.876 6.438 2.706) 7.232 5.767 ( -2.054 7.469 -3.874) 8.661 5.767 ( 2.054 7.469 3.874) 8.661 6.341 ( 2.773 -0.651 -2.439) 3.750 6.341 ( -2.773 -0.651 2.439) 3.750 6.629 ( -10.087 0.361 -10.123) 14.295 6.629 ( 10.087 0.361 10.123) 14.295 7.022 ( -0.423 6.921 -5.819) 9.052 7.022 ( 0.423 6.921 5.819) 9.052 7.318 ( -10.156 6.554 -6.743) 13.841 7.318 ( 10.156 6.554 6.743) 13.841 7.667 ( 4.741 0.608 -3.033) 5.661 7.667 ( -4.741 0.608 3.033) 5.661 7.958 ( -4.513 -5.744 -4.162) 8.407 7.958 ( 4.513 -5.744 4.162) 8.407 8.621 ( -3.410 -5.577 -5.602) 8.609 8.621 ( 3.410 -5.577 5.602) 8.609 8.951 ( -9.131 -3.588 -3.561) 10.437 8.951 ( 9.131 -3.588 3.561) 10.437 9.387 ( -6.519 -5.480 -0.870) 8.561 9.387 ( 6.519 -5.480 0.870) 8.561 10.306 ( 1.047 -0.704 -4.378) 4.556 10.306 ( -1.047 -0.704 4.378) 4.556 10.660 ( -3.561 10.979 -0.891) 11.576 10.660 ( 3.561 10.979 0.891) 11.576 11.172 ( 1.635 -1.075 -1.722) 2.606 11.172 ( -1.635 -1.075 1.722) 2.606 11.619 ( -2.683 1.812 -0.338) 3.255 11.619 ( 2.683 1.812 0.338) 3.255 11.870 ( -3.955 8.041 -2.361) 9.267 11.870 ( 3.955 8.041 2.361) 9.267 12.174 ( -0.598 -10.462 -1.208) 10.549 12.174 ( 0.598 -10.462 1.208) 10.549 12.497 ( -0.530 3.495 -1.049) 3.687 12.497 ( 0.530 3.495 1.049) 3.687 12.798 ( -0.376 1.831 -0.216) 1.881 12.798 ( 0.376 1.831 0.216) 1.881 ======================= Grid point 377 (175/192) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 1.497 19.898 -16.090) 25.634 2.730 ( -1.497 19.898 16.090) 25.634 2.769 ( -0.894 19.229 -17.564) 26.059 2.769 ( 0.894 19.229 17.564) 26.059 3.797 ( -0.113 0.196 -7.574) 7.578 3.797 ( 0.113 0.196 7.574) 7.578 4.248 ( -3.394 27.178 -3.316) 27.589 4.248 ( 3.394 27.178 3.316) 27.589 4.823 ( 2.897 -16.221 -7.810) 18.235 4.823 ( -2.897 -16.221 7.810) 18.235 5.358 ( -7.268 5.271 -0.300) 8.983 5.358 ( 7.268 5.271 0.300) 8.983 5.867 ( 1.660 -1.978 -5.239) 5.841 5.867 ( -1.660 -1.978 5.239) 5.841 6.243 ( 3.252 5.037 -10.105) 11.750 6.243 ( -3.252 5.037 10.105) 11.750 6.814 ( -2.883 -1.016 -6.552) 7.230 6.814 ( 2.883 -1.016 6.552) 7.230 7.129 ( -0.822 1.375 -3.583) 3.925 7.129 ( 0.822 1.375 3.583) 3.925 7.445 ( 5.670 5.754 -5.616) 9.839 7.445 ( -5.670 5.754 5.616) 9.839 7.653 ( 2.407 1.787 -5.672) 6.416 7.653 ( -2.407 1.787 5.672) 6.416 8.041 ( -7.278 -5.316 -6.280) 10.984 8.041 ( 7.278 -5.316 6.280) 10.984 8.352 ( 1.236 -3.868 -4.013) 5.709 8.352 ( -1.236 -3.868 4.013) 5.709 8.540 ( -7.205 5.447 -5.589) 10.622 8.540 ( 7.205 5.447 5.589) 10.622 9.528 ( -5.618 -0.203 -7.271) 9.191 9.528 ( 5.618 -0.203 7.271) 9.191 10.358 ( 2.096 -2.426 -3.781) 4.957 10.358 ( -2.096 -2.426 3.781) 4.957 10.741 ( -0.194 -4.233 -4.387) 6.099 10.741 ( 0.194 -4.233 4.387) 6.099 11.099 ( 1.992 0.018 -2.728) 3.377 11.099 ( -1.992 0.018 2.728) 3.377 11.653 ( -5.798 -0.303 -4.764) 7.510 11.653 ( 5.798 -0.303 4.764) 7.510 11.933 ( 2.813 0.895 -3.733) 4.759 11.933 ( -2.813 0.895 3.733) 4.759 12.287 ( -5.269 -2.981 -2.929) 6.725 12.287 ( 5.269 -2.981 2.929) 6.725 12.454 ( -1.447 4.750 -2.696) 5.650 12.454 ( 1.447 4.750 2.696) 5.650 12.765 ( -0.092 -0.539 -0.540) 0.768 12.765 ( 0.092 -0.539 0.540) 0.768 ======================= Grid point 379 (176/192) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 3.281 22.584 -13.765) 26.651 2.653 ( 6.892 21.314 -13.630) 26.221 2.903 ( 3.554 15.399 13.336) 20.679 2.995 ( 4.448 14.877 17.130) 23.120 3.702 ( -2.062 1.206 -8.623) 8.948 3.870 ( 0.169 -2.377 5.807) 6.277 4.148 ( -2.772 26.778 -3.797) 27.188 4.314 ( 1.151 27.156 1.153) 27.204 4.758 ( -2.153 -15.177 -4.249) 15.907 4.804 ( -4.508 -14.382 2.162) 15.226 5.268 ( -2.426 5.581 -0.107) 6.087 5.511 ( 7.330 6.741 -0.742) 9.986 5.854 ( 2.544 -2.568 -4.388) 5.685 5.918 ( 2.199 -2.305 5.886) 6.693 6.192 ( 2.180 6.481 -10.425) 12.467 6.289 ( -0.323 3.829 5.187) 6.455 6.704 ( -2.871 -2.438 -2.332) 4.430 6.879 ( -4.794 -5.526 5.401) 9.094 7.099 ( 1.486 6.083 -3.131) 7.001 7.187 ( 0.181 1.909 3.374) 3.881 7.380 ( -2.155 4.065 6.173) 7.699 7.485 ( 2.376 4.144 -3.257) 5.782 7.622 ( -3.284 2.633 -4.823) 6.402 7.734 ( 3.723 1.158 2.295) 4.525 7.807 ( -5.923 -2.449 -5.267) 8.296 8.117 ( -0.399 -3.544 1.374) 3.822 8.334 ( -2.218 -1.347 1.746) 3.128 8.422 ( 4.541 -3.188 1.058) 5.648 8.510 ( 5.833 2.772 0.568) 6.483 8.803 ( 12.481 1.864 6.658) 14.268 9.280 ( -11.310 1.652 -10.784) 15.715 9.632 ( 0.637 -0.450 3.093) 3.190 10.301 ( -4.193 -4.850 2.394) 6.843 10.414 ( 3.188 -0.508 -0.570) 3.278 10.668 ( -2.766 -4.441 -1.125) 5.351 10.797 ( 1.086 -2.574 1.542) 3.191 11.095 ( 0.353 -0.968 1.464) 1.790 11.169 ( 5.007 1.546 0.149) 5.242 11.493 ( -6.494 -0.637 -3.875) 7.590 11.785 ( 3.736 0.598 3.915) 5.444 11.903 ( -2.699 -1.547 1.728) 3.559 11.940 ( 0.462 2.341 -2.028) 3.131 12.165 ( -4.743 -4.504 -2.584) 7.033 12.367 ( -0.407 0.146 0.706) 0.828 12.434 ( 2.871 1.567 -0.580) 3.322 12.510 ( 1.606 5.263 1.972) 5.845 12.762 ( 0.397 -0.889 -0.339) 1.031 12.779 ( 0.829 0.369 0.370) 0.980 ======================= Grid point 380 (177/192) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 8.739 23.132 -9.850) 26.617 2.724 ( 13.531 18.305 -10.528) 25.080 3.106 ( 6.441 9.543 9.402) 14.865 3.234 ( 4.001 11.694 14.845) 19.316 3.548 ( -5.883 3.256 -7.299) 9.924 3.882 ( -3.911 -3.640 3.343) 6.303 4.097 ( 0.587 24.979 -3.793) 25.273 4.323 ( -0.285 23.522 0.031) 23.524 4.677 ( -6.026 -13.897 3.233) 15.489 4.749 ( 0.859 -10.552 -4.286) 11.422 5.251 ( -0.277 5.602 0.864) 5.675 5.541 ( -3.084 6.337 0.112) 7.048 5.884 ( 4.240 2.658 -2.690) 5.681 6.074 ( 8.384 -0.117 -1.367) 8.495 6.118 ( 1.700 5.014 -5.963) 7.974 6.322 ( 0.166 0.566 1.273) 1.403 6.679 ( 1.909 -6.219 -1.512) 6.679 6.756 ( -10.407 -5.157 0.923) 11.651 7.116 ( 2.680 10.097 -3.217) 10.931 7.199 ( -0.883 0.615 5.146) 5.258 7.366 ( -9.215 5.805 -5.362) 12.139 7.495 ( 2.258 -1.097 4.952) 5.552 7.521 ( -1.624 0.729 3.263) 3.717 7.713 ( 2.969 -2.132 -5.216) 6.369 7.894 ( 4.058 8.767 5.452) 11.093 8.116 ( 1.629 -1.899 -2.283) 3.387 8.345 ( 0.832 -5.006 2.890) 5.840 8.531 ( 6.303 -3.121 2.867) 7.596 8.639 ( 5.935 2.024 0.833) 6.326 8.886 ( -11.038 5.017 -10.963) 16.346 9.118 ( 7.468 -1.926 4.306) 8.833 9.619 ( -4.425 -0.834 0.971) 4.606 10.262 ( -2.939 -4.797 3.116) 6.431 10.453 ( 0.998 1.659 0.202) 1.947 10.630 ( -0.423 -1.839 -0.401) 1.929 10.828 ( 0.760 -1.608 2.588) 3.140 11.113 ( 0.119 -0.215 0.170) 0.299 11.261 ( 4.911 1.881 -1.076) 5.368 11.369 ( -3.752 -1.228 -0.952) 4.061 11.835 ( -2.533 1.851 2.870) 4.252 11.892 ( 1.714 -1.472 -1.515) 2.720 11.920 ( -1.364 0.536 0.685) 1.617 12.072 ( -3.111 -6.943 -1.967) 7.858 12.335 ( -2.861 -0.230 0.082) 2.872 12.478 ( 1.745 1.688 -1.210) 2.712 12.555 ( 2.117 5.393 1.025) 5.883 12.771 ( 0.955 -0.422 -0.466) 1.143 12.806 ( 1.390 1.337 0.869) 2.116 ======================= Grid point 381 (178/192) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 11.744 20.119 -7.690) 24.532 2.906 ( 14.977 14.098 -7.542) 21.908 3.298 ( 6.445 4.780 1.589) 8.180 3.389 ( -1.760 4.270 3.165) 5.599 3.408 ( -2.401 9.734 9.192) 13.602 3.815 ( -4.854 -2.081 -0.679) 5.325 4.066 ( -0.945 22.986 -1.639) 23.064 4.300 ( -2.182 14.860 -0.945) 15.049 4.636 ( -4.020 -8.973 7.624) 12.441 4.754 ( 4.430 -9.906 -5.639) 12.229 5.260 ( 0.064 5.748 0.694) 5.790 5.463 ( -5.279 4.564 2.313) 7.352 5.923 ( 0.364 6.015 -1.315) 6.168 6.026 ( 2.352 8.869 -6.564) 11.282 6.262 ( 4.328 3.399 -0.815) 5.563 6.328 ( 3.810 -5.029 -1.862) 6.578 6.568 ( -9.181 -1.232 -0.572) 9.281 6.740 ( 5.444 -10.037 -0.800) 11.447 7.128 ( 0.239 6.669 0.599) 6.700 7.149 ( -5.189 5.654 -7.832) 10.966 7.286 ( 3.870 5.114 3.945) 7.529 7.445 ( -6.396 -2.069 -0.415) 6.735 7.640 ( 5.143 0.432 6.924) 8.636 7.734 ( 1.032 3.296 -3.134) 4.664 7.916 ( -2.200 -0.201 0.827) 2.359 8.202 ( 5.393 3.008 0.961) 6.249 8.352 ( -5.096 -2.353 0.018) 5.613 8.576 ( -3.894 -0.916 -4.471) 5.999 8.715 ( 7.675 2.311 4.380) 9.134 8.779 ( 8.067 0.583 -1.460) 8.219 9.272 ( 3.384 -5.351 2.909) 6.968 9.486 ( -10.214 -1.754 -0.187) 10.365 10.256 ( -1.045 -1.455 2.780) 3.307 10.448 ( -1.844 3.503 0.386) 3.978 10.652 ( 3.010 2.471 0.392) 3.914 10.878 ( 1.056 0.509 3.335) 3.535 11.105 ( -0.885 0.056 0.854) 1.231 11.260 ( -2.267 -1.653 -2.407) 3.696 11.398 ( 5.808 0.767 0.158) 5.861 11.789 ( -3.700 0.703 0.332) 3.781 11.896 ( 0.440 -0.102 -0.790) 0.910 11.917 ( 0.094 -0.807 0.236) 0.846 12.017 ( -1.783 -9.332 -0.451) 9.512 12.255 ( -5.654 -1.890 -0.993) 6.043 12.498 ( 2.126 3.920 -0.649) 4.506 12.597 ( 1.792 5.442 -0.253) 5.735 12.786 ( 1.160 0.178 -0.350) 1.225 12.837 ( 0.931 1.927 0.686) 2.247 ======================= Grid point 382 (179/192) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 12.723 15.007 -6.487) 20.716 3.063 ( 5.867 11.226 -2.613) 12.934 3.309 ( 1.730 6.756 0.197) 6.977 3.438 ( -2.520 8.424 5.337) 10.286 3.511 ( 3.631 -0.169 4.786) 6.010 3.693 ( -5.452 -0.885 -4.043) 6.845 4.052 ( 0.071 20.355 1.720) 20.428 4.227 ( -4.135 11.808 -2.061) 12.679 4.663 ( -2.527 -7.616 9.366) 12.333 4.765 ( 3.305 -8.647 -8.188) 12.359 5.278 ( 1.674 5.208 1.441) 5.658 5.413 ( -3.581 4.899 2.334) 6.502 5.890 ( -0.134 6.344 -0.691) 6.383 6.032 ( -1.370 9.899 -1.575) 10.117 6.262 ( 5.187 -2.689 -5.945) 8.335 6.427 ( -6.920 -0.139 3.702) 7.849 6.454 ( 7.040 3.581 1.321) 8.008 6.814 ( 2.313 -6.848 -4.270) 8.395 6.981 ( -6.342 2.542 0.845) 6.884 7.155 ( -0.834 0.078 -6.153) 6.209 7.320 ( 3.453 7.671 -1.154) 8.492 7.447 ( 5.265 -1.509 3.813) 6.674 7.650 ( -4.702 4.318 -3.227) 7.153 7.770 ( 2.446 5.081 3.295) 6.531 7.923 ( -0.320 -2.065 1.898) 2.822 8.051 ( -12.427 -1.496 -5.169) 13.542 8.412 ( 8.400 2.848 5.178) 10.271 8.611 ( 4.229 2.430 -0.720) 4.930 8.812 ( 3.175 4.686 0.317) 5.669 8.970 ( 6.788 -6.976 2.028) 9.942 9.229 ( -6.968 -4.113 -1.663) 8.260 9.351 ( -4.004 -5.698 1.968) 7.237 10.275 ( 0.921 1.748 1.770) 2.653 10.398 ( -3.566 4.037 -0.217) 5.390 10.737 ( 5.323 6.201 0.667) 8.200 10.902 ( -2.014 4.239 2.084) 5.135 11.112 ( -0.092 -1.577 2.450) 2.915 11.189 ( -2.283 -0.711 -2.267) 3.294 11.515 ( 7.096 -1.668 -1.001) 7.358 11.716 ( -4.533 -0.041 0.167) 4.537 11.902 ( 1.115 -0.534 -0.075) 1.238 11.940 ( 2.290 -2.491 0.345) 3.401 11.984 ( -1.800 -9.606 -0.349) 9.779 12.126 ( -6.439 -1.165 -1.771) 6.779 12.541 ( 2.175 4.538 0.955) 5.122 12.609 ( 0.332 5.676 -1.359) 5.845 12.808 ( 1.398 0.780 0.016) 1.601 12.847 ( -0.229 1.910 0.105) 1.927 ======================= Grid point 383 (180/192) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 6.307 10.488 -4.652) 13.093 3.036 ( -6.307 10.488 4.652) 13.093 3.394 ( 2.259 9.851 -3.608) 10.732 3.394 ( -2.259 9.851 3.608) 10.732 3.585 ( -2.531 -2.102 -1.892) 3.795 3.585 ( 2.531 -2.102 1.892) 3.795 4.119 ( -3.679 15.235 -3.430) 16.044 4.119 ( 3.679 15.235 3.430) 16.044 4.718 ( 2.141 -7.689 -10.025) 12.815 4.718 ( -2.141 -7.689 10.025) 12.815 5.350 ( -3.311 5.073 -1.726) 6.299 5.350 ( 3.311 5.073 1.726) 6.299 5.941 ( -1.506 6.748 -5.301) 8.712 5.941 ( 1.506 6.748 5.301) 8.712 6.337 ( 5.508 0.707 -3.620) 6.629 6.337 ( -5.508 0.707 3.620) 6.629 6.657 ( -8.798 1.478 -7.674) 11.768 6.657 ( 8.798 1.478 7.674) 11.768 7.018 ( -3.171 -2.592 -6.705) 7.857 7.018 ( 3.171 -2.592 6.705) 7.857 7.457 ( -4.872 3.671 -3.616) 7.092 7.457 ( 4.872 3.671 3.616) 7.092 7.688 ( -7.216 4.130 -4.996) 9.700 7.688 ( 7.216 4.130 4.996) 9.700 7.918 ( -1.155 -0.415 -0.750) 1.439 7.918 ( 1.155 -0.415 0.750) 1.439 8.604 ( -3.498 2.753 -5.370) 6.975 8.604 ( 3.498 2.753 5.370) 6.975 8.900 ( -5.386 -0.319 -2.880) 6.116 8.900 ( 5.386 -0.319 2.880) 6.116 9.266 ( -6.081 -7.174 -1.232) 9.485 9.266 ( 6.081 -7.174 1.232) 9.485 10.327 ( 0.799 3.620 -4.707) 5.992 10.327 ( -0.799 3.620 4.707) 5.992 10.840 ( -0.472 6.678 -3.585) 7.594 10.840 ( 0.472 6.678 3.585) 7.594 11.142 ( -0.526 -1.473 -2.499) 2.948 11.142 ( 0.526 -1.473 2.499) 2.948 11.626 ( -4.077 -1.339 -0.020) 4.291 11.626 ( 4.077 -1.339 0.020) 4.291 11.939 ( -1.385 -5.811 -1.697) 6.210 11.939 ( 1.385 -5.811 1.697) 6.210 12.009 ( -4.906 -1.364 -0.477) 5.115 12.009 ( 4.906 -1.364 0.477) 5.115 12.585 ( -0.990 5.251 -1.822) 5.646 12.585 ( 0.990 5.251 1.822) 5.646 12.833 ( -1.140 1.432 -0.210) 1.843 12.833 ( 1.140 1.432 0.210) 1.843 ======================= Grid point 389 (181/192) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 0.411 13.919 -6.826) 15.508 3.081 ( -0.411 13.919 6.826) 15.508 3.209 ( -0.205 23.988 -6.632) 24.889 3.209 ( 0.205 23.988 6.632) 24.889 3.752 ( 0.483 -3.638 -5.550) 6.654 3.752 ( -0.483 -3.638 5.550) 6.654 4.324 ( -0.673 -24.239 -5.019) 24.763 4.324 ( 0.673 -24.239 5.019) 24.763 4.860 ( -1.225 23.635 -1.891) 23.742 4.860 ( 1.225 23.635 1.891) 23.742 5.414 ( -5.080 -0.324 -1.254) 5.243 5.414 ( 5.080 -0.324 1.254) 5.243 5.787 ( 2.156 -4.807 -4.360) 6.839 5.787 ( -2.156 -4.807 4.360) 6.839 6.298 ( 2.574 0.671 -7.172) 7.650 6.298 ( -2.574 0.671 7.172) 7.650 6.792 ( -0.268 -1.345 -5.200) 5.378 6.792 ( 0.268 -1.345 5.200) 5.378 7.224 ( 4.286 5.661 -3.628) 7.974 7.224 ( -4.286 5.661 3.628) 7.974 7.548 ( -6.901 1.142 -1.399) 7.134 7.548 ( 6.901 1.142 1.399) 7.134 7.724 ( 0.799 7.273 -5.439) 9.116 7.724 ( -0.799 7.273 5.439) 9.116 8.001 ( -3.889 1.839 -2.775) 5.119 8.001 ( 3.889 1.839 2.775) 5.119 8.257 ( 1.164 -4.461 -2.968) 5.483 8.257 ( -1.164 -4.461 2.968) 5.483 8.668 ( -5.950 4.470 -4.575) 8.736 8.668 ( 5.950 4.470 4.575) 8.736 9.426 ( -3.759 -8.244 -9.036) 12.796 9.426 ( 3.759 -8.244 9.036) 12.796 10.360 ( 0.882 1.817 -4.669) 5.087 10.360 ( -0.882 1.817 4.669) 5.087 10.670 ( -1.920 -1.750 -6.505) 7.005 10.670 ( 1.920 -1.750 6.505) 7.005 11.108 ( 0.195 0.408 -3.898) 3.924 11.108 ( -0.195 0.408 3.898) 3.924 11.616 ( -4.764 -1.972 -4.390) 6.772 11.616 ( 4.764 -1.972 4.390) 6.772 11.969 ( 1.561 2.415 -1.912) 3.453 11.969 ( -1.561 2.415 1.912) 3.453 12.192 ( -5.455 -5.912 -2.997) 8.584 12.192 ( 5.455 -5.912 2.997) 8.584 12.562 ( -0.882 5.274 -3.232) 6.248 12.562 ( 0.882 5.274 3.232) 6.248 12.741 ( -0.180 -1.861 -1.752) 2.562 12.741 ( 0.180 -1.861 1.752) 2.562 ======================= Grid point 391 (182/192) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 3.568 17.234 -7.396) 19.090 3.106 ( 2.527 19.828 -7.002) 21.180 3.205 ( -0.042 15.958 6.995) 17.424 3.311 ( 2.403 17.024 8.721) 19.279 3.693 ( -1.504 -1.627 -4.611) 5.115 3.794 ( -0.697 -4.005 4.139) 5.801 4.241 ( -2.406 -21.157 -4.018) 21.669 4.344 ( -3.419 -23.220 4.031) 23.814 4.822 ( -0.129 21.541 -1.817) 21.618 4.886 ( -0.191 23.719 -0.082) 23.720 5.337 ( -1.939 0.298 -0.535) 2.033 5.551 ( 5.150 -3.305 0.458) 6.136 5.789 ( 4.400 -2.294 -0.969) 5.055 5.852 ( 5.101 -4.111 1.000) 6.627 6.253 ( 0.308 1.305 -5.637) 5.795 6.331 ( 0.776 -0.323 0.673) 1.077 6.694 ( -4.874 0.807 -3.066) 5.814 6.791 ( -5.357 -3.463 3.171) 7.124 7.208 ( -2.066 2.845 4.859) 5.997 7.276 ( 3.701 5.692 -1.833) 7.032 7.430 ( -1.862 0.651 -4.402) 4.824 7.613 ( -4.884 -1.855 -3.127) 6.089 7.676 ( 5.872 11.110 -3.536) 13.054 7.783 ( -4.450 6.546 -0.731) 7.949 7.857 ( -2.376 4.344 8.655) 9.971 8.052 ( 2.115 -3.073 4.290) 5.685 8.342 ( 4.223 2.440 1.578) 5.126 8.405 ( 6.740 0.826 2.392) 7.199 8.540 ( -0.767 1.084 -3.679) 3.912 8.841 ( 8.332 -1.713 3.977) 9.390 9.214 ( -8.860 -4.917 -10.242) 14.408 9.523 ( -1.671 -10.925 6.631) 12.888 10.314 ( -0.521 5.965 -2.689) 6.564 10.422 ( 3.138 0.580 1.797) 3.662 10.594 ( 0.490 -0.073 -4.570) 4.597 10.759 ( 0.633 -1.729 5.347) 5.655 11.069 ( -0.372 -1.113 -0.516) 1.282 11.187 ( 3.242 -2.444 2.985) 5.039 11.487 ( -4.052 3.008 -4.927) 7.053 11.738 ( 4.802 -3.969 2.647) 6.769 11.902 ( -4.889 0.830 1.929) 5.321 11.995 ( -0.220 1.779 -1.546) 2.367 12.061 ( -5.140 -4.063 -2.823) 7.134 12.283 ( 1.254 -6.877 1.308) 7.112 12.527 ( 0.874 5.812 -2.094) 6.239 12.618 ( 1.748 4.695 2.253) 5.493 12.730 ( 0.933 -1.976 -1.001) 2.403 12.774 ( 1.437 -1.068 1.327) 2.229 ======================= Grid point 392 (183/192) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 7.436 17.320 -6.811) 20.042 3.101 ( 4.402 20.837 -6.346) 22.222 3.281 ( 2.003 7.241 4.674) 8.848 3.443 ( 1.559 8.122 7.635) 11.256 3.611 ( -2.902 4.076 -1.774) 5.308 3.800 ( -2.368 -3.165 3.038) 4.986 4.184 ( -0.268 -18.007 -2.937) 18.247 4.297 ( -4.680 -18.184 2.721) 18.973 4.814 ( 0.244 19.823 -1.340) 19.870 4.859 ( -1.680 21.601 -0.300) 21.669 5.316 ( -0.342 -0.336 -0.072) 0.484 5.545 ( -5.166 -5.388 1.899) 7.703 5.918 ( 8.857 0.710 -2.832) 9.326 6.014 ( 11.960 -3.763 -0.381) 12.544 6.199 ( 0.466 2.790 -6.280) 6.887 6.326 ( -1.424 -1.214 -1.079) 2.160 6.595 ( -2.963 -1.488 -0.965) 3.453 6.680 ( -8.131 -3.202 0.841) 8.779 7.217 ( -0.194 2.652 -0.066) 2.660 7.312 ( 2.779 6.905 -1.011) 7.512 7.434 ( 3.308 -4.163 1.945) 5.662 7.481 ( -5.085 1.475 -2.716) 5.951 7.615 ( -7.491 9.932 -0.726) 12.462 7.767 ( 4.004 6.823 0.443) 7.923 8.037 ( 5.401 3.544 8.796) 10.914 8.146 ( 1.940 1.276 3.396) 4.114 8.291 ( -3.296 3.314 -3.042) 5.577 8.501 ( 6.989 0.981 1.133) 7.148 8.640 ( 3.784 -0.797 0.643) 3.920 8.939 ( -6.480 -5.549 -9.830) 13.016 9.028 ( 5.988 -1.964 3.822) 7.370 9.492 ( -7.195 -12.847 3.816) 15.211 10.302 ( 1.905 9.047 -2.112) 9.484 10.498 ( 2.401 1.455 2.460) 3.733 10.608 ( 4.592 2.709 -2.084) 5.724 10.804 ( -1.147 -1.060 6.047) 6.246 11.072 ( 1.240 -2.813 -1.270) 3.326 11.253 ( 0.436 -9.274 0.780) 9.317 11.411 ( 0.891 11.104 -1.836) 11.290 11.829 ( -2.389 -1.538 3.196) 4.276 11.842 ( 1.976 -2.489 -0.994) 3.330 11.920 ( -4.501 -6.230 -2.653) 8.131 11.971 ( -3.597 2.125 -0.803) 4.254 12.251 ( -4.449 -7.500 -0.641) 8.744 12.553 ( 3.370 5.400 -1.774) 6.608 12.669 ( 1.822 4.478 1.665) 5.113 12.751 ( 2.021 -1.100 -0.885) 2.466 12.818 ( 1.814 -0.379 1.534) 2.406 ======================= Grid point 393 (184/192) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 5.026 17.534 -6.205) 19.266 3.174 ( 9.604 12.428 -5.675) 16.701 3.370 ( 4.037 2.312 1.848) 5.005 3.433 ( -4.882 0.609 1.533) 5.153 3.630 ( 0.547 11.385 5.600) 12.699 3.772 ( -3.075 -0.695 1.305) 3.412 4.162 ( -0.140 -16.021 -0.831) 16.044 4.244 ( -2.933 -12.345 0.639) 12.704 4.789 ( -1.750 19.366 0.713) 19.458 4.847 ( 0.153 16.882 -0.418) 16.888 5.311 ( -0.714 -1.577 0.473) 1.794 5.466 ( -5.202 -4.663 3.356) 7.751 6.008 ( 1.519 3.091 -1.475) 3.746 6.128 ( 7.488 1.395 -8.040) 11.075 6.224 ( -0.503 -3.818 -2.056) 4.366 6.301 ( 5.547 -1.188 0.809) 5.731 6.551 ( -6.154 -0.722 1.543) 6.386 6.581 ( 1.880 -4.811 -0.941) 5.250 7.220 ( 0.311 5.187 -1.407) 5.384 7.279 ( -4.219 6.544 -4.496) 8.991 7.408 ( -4.485 -0.745 0.944) 4.644 7.495 ( 2.764 7.928 -1.731) 8.573 7.601 ( 6.871 -0.384 4.361) 8.147 7.831 ( 2.254 3.467 -0.845) 4.221 7.961 ( -8.223 5.112 -2.093) 9.906 8.225 ( -1.777 -2.462 0.963) 3.186 8.399 ( 9.229 6.319 4.989) 12.247 8.533 ( -7.122 0.991 -0.788) 7.233 8.679 ( 9.410 -0.923 3.420) 10.055 8.884 ( 4.021 0.285 -3.451) 5.307 9.143 ( 2.473 -6.088 2.108) 6.901 9.349 ( -10.514 -11.494 0.898) 15.603 10.335 ( 3.195 9.147 -1.057) 9.746 10.540 ( -0.752 4.178 2.929) 5.158 10.711 ( 7.660 4.750 -0.989) 9.067 10.849 ( -0.651 -2.394 6.691) 7.136 11.085 ( 0.870 -2.490 0.303) 2.655 11.222 ( -1.099 -4.011 -3.187) 5.239 11.465 ( 3.909 7.252 -0.145) 8.239 11.770 ( -4.417 -0.093 1.870) 4.798 11.814 ( -3.591 -6.855 -2.128) 8.025 11.878 ( 0.452 -2.752 -2.851) 3.988 11.923 ( -0.784 -1.425 1.104) 1.966 12.141 ( -6.359 -8.572 -0.681) 10.695 12.599 ( 3.237 5.599 -1.105) 6.561 12.713 ( 1.578 4.538 0.614) 4.844 12.779 ( 1.973 -0.316 -0.732) 2.128 12.859 ( 1.068 -0.073 0.863) 1.375 ======================= Grid point 394 (185/192) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 5.455 11.430 -5.181) 13.684 3.262 ( 1.387 7.749 -1.558) 8.025 3.393 ( 3.745 2.292 -1.079) 4.521 3.470 ( 3.518 -1.596 1.604) 4.183 3.655 ( -3.629 11.085 4.705) 12.577 3.713 ( -3.311 3.872 -1.027) 5.197 4.163 ( -0.274 -13.116 1.399) 13.193 4.200 ( -1.417 -8.947 -1.296) 9.151 4.783 ( -0.717 17.013 2.550) 17.218 4.838 ( -0.238 14.721 -1.701) 14.820 5.315 ( 0.449 -2.098 2.545) 3.328 5.427 ( -2.697 -4.438 1.584) 5.429 5.977 ( -1.048 3.031 -0.522) 3.249 6.117 ( -4.441 -2.233 -4.912) 6.989 6.251 ( 9.416 3.034 -2.322) 10.162 6.405 ( -1.240 -1.707 3.583) 4.158 6.513 ( 2.570 1.154 1.538) 3.209 6.650 ( 5.545 -7.936 -0.693) 9.706 7.056 ( -10.766 3.784 -1.619) 11.526 7.169 ( -7.418 0.037 -6.596) 9.926 7.423 ( 8.720 7.286 -1.083) 11.415 7.582 ( 6.379 8.697 0.098) 10.786 7.691 ( -2.732 0.531 -2.207) 3.552 7.839 ( 4.768 0.022 1.332) 4.951 7.925 ( -0.042 3.195 3.388) 4.657 8.060 ( -12.357 3.213 -4.050) 13.395 8.459 ( 4.160 2.587 3.487) 6.013 8.676 ( 6.497 3.994 4.898) 9.064 8.862 ( 6.974 -5.477 -1.849) 9.059 8.903 ( -0.428 -1.613 2.937) 3.378 9.123 ( -5.614 -3.099 -0.435) 6.427 9.200 ( -3.704 -7.670 -0.728) 8.548 10.393 ( 4.269 9.520 -0.895) 10.471 10.527 ( -3.596 7.712 2.573) 8.890 10.829 ( 6.693 2.247 -2.359) 7.444 10.904 ( -1.073 -2.580 6.735) 7.291 11.109 ( 0.037 -0.322 2.387) 2.409 11.169 ( -0.634 -1.296 -4.069) 4.317 11.518 ( 4.054 2.981 -2.468) 5.604 11.698 ( -5.758 -0.197 1.959) 6.086 11.780 ( 0.858 -7.090 -0.495) 7.159 11.845 ( -1.210 -2.384 -1.171) 2.919 11.927 ( 0.770 -3.186 -0.907) 3.401 12.028 ( -5.399 -8.284 0.168) 9.889 12.651 ( 2.878 5.732 0.281) 6.420 12.729 ( 0.011 5.418 -0.627) 5.454 12.810 ( 1.990 -0.575 -0.116) 2.075 12.869 ( -0.426 -0.103 -0.049) 0.441 ======================= Grid point 395 (186/192) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 4.811 7.069 -2.927) 9.038 3.219 ( -4.811 7.069 2.927) 9.038 3.486 ( -0.184 -1.458 -1.395) 2.026 3.486 ( 0.184 -1.458 1.395) 2.026 3.647 ( -0.567 10.007 -3.515) 10.621 3.647 ( 0.567 10.007 3.515) 10.621 4.174 ( 0.775 -9.728 -2.649) 10.112 4.174 ( -0.775 -9.728 2.649) 10.112 4.808 ( -0.171 15.243 -2.949) 15.526 4.808 ( 0.171 15.243 2.949) 15.526 5.375 ( -1.725 -3.296 -3.096) 4.840 5.375 ( 1.725 -3.296 3.096) 4.840 6.005 ( -1.744 0.447 -4.471) 4.820 6.005 ( 1.744 0.447 4.471) 4.820 6.364 ( 5.233 1.680 -2.300) 5.958 6.364 ( -5.233 1.680 2.300) 5.958 6.645 ( -5.264 -2.540 -4.916) 7.637 6.645 ( 5.264 -2.540 4.916) 7.637 6.981 ( -3.426 -1.204 -5.111) 6.270 6.981 ( 3.426 -1.204 5.111) 6.270 7.572 ( -6.510 7.347 -0.217) 9.818 7.572 ( 6.510 7.347 0.217) 9.818 7.778 ( -9.843 3.160 -4.440) 11.251 7.778 ( 9.843 3.160 4.440) 11.251 7.930 ( -0.307 3.433 -1.116) 3.623 7.930 ( 0.307 3.433 1.116) 3.623 8.637 ( -8.690 -0.567 -4.169) 9.655 8.637 ( 8.690 -0.567 4.169) 9.655 8.914 ( 0.882 -1.893 -6.954) 7.260 8.914 ( -0.882 -1.893 6.954) 7.260 9.121 ( -3.840 -4.098 -2.047) 5.977 9.121 ( 3.840 -4.098 2.047) 5.977 10.467 ( 2.159 9.566 -4.282) 10.701 10.467 ( -2.159 9.566 4.282) 10.701 10.905 ( 4.170 -0.799 -5.065) 6.610 10.905 ( -4.170 -0.799 5.065) 6.610 11.130 ( 0.563 -0.062 -3.482) 3.527 11.130 ( -0.563 -0.062 3.482) 3.527 11.597 ( -3.070 0.171 0.459) 3.109 11.597 ( 3.070 0.171 -0.459) 3.109 11.809 ( -0.483 -4.591 -1.276) 4.790 11.809 ( 0.483 -4.591 1.276) 4.790 11.954 ( -1.641 -5.575 -0.627) 5.846 11.954 ( 1.641 -5.575 0.627) 5.846 12.702 ( -1.632 5.717 -1.258) 6.077 12.702 ( 1.632 5.717 1.258) 6.077 12.846 ( -1.597 -0.398 -0.400) 1.694 12.846 ( 1.597 -0.398 0.400) 1.694 ======================= Grid point 401 (187/192) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 0.000 0.000 0.000) 0.000 3.242 ( -0.000 0.000 0.000) 0.000 3.656 ( -0.000 -0.000 -0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 -0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 3.878 ( -0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 5.203 ( -0.000 -0.000 0.000) 0.000 5.203 ( 0.000 -0.000 0.000) 0.000 5.340 ( -0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 -0.000) 0.000 5.725 ( 0.000 0.000 -0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.298 ( -0.000 0.000 0.000) 0.000 6.777 ( -0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 7.291 ( -0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 0.000) 0.000 7.537 ( -0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.814 ( -0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 8.086 ( 0.000 -0.000 0.000) 0.000 8.086 ( -0.000 0.000 0.000) 0.000 8.186 ( -0.000 0.000 -0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.699 ( -0.000 -0.000 0.000) 0.000 8.699 ( -0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.660 ( 0.000 0.000 -0.000) 0.000 10.660 ( -0.000 0.000 0.000) 0.000 11.112 ( -0.000 0.000 0.000) 0.000 11.112 ( -0.000 0.000 0.000) 0.000 11.595 ( 0.000 0.000 0.000) 0.000 11.595 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 -0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.097 ( -0.000 0.000 0.000) 0.000 12.097 ( -0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 -0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 12.706 ( 0.000 0.000 -0.000) 0.000 12.706 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 405 (188/192) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( 1.689 -2.612 0.692) 3.187 3.261 ( 1.689 2.612 0.692) 3.187 3.556 ( -3.082 -6.882 -5.855) 9.547 3.556 ( -3.082 6.882 -5.855) 9.547 3.754 ( 2.515 -14.320 1.945) 14.668 3.754 ( 2.515 14.320 1.945) 14.668 3.885 ( -0.960 -12.368 3.261) 12.827 3.885 ( -0.960 12.368 3.261) 12.827 5.162 ( -2.946 -7.365 0.629) 7.957 5.162 ( -2.946 7.365 0.629) 7.957 5.372 ( 0.751 -11.646 -0.060) 11.671 5.372 ( 0.751 11.646 -0.060) 11.671 5.784 ( 7.286 -1.869 -0.817) 7.566 5.784 ( 7.286 1.869 -0.817) 7.566 6.291 ( 0.615 -2.579 -2.555) 3.682 6.291 ( 0.615 2.579 -2.555) 3.682 6.730 ( -5.179 -2.573 -0.020) 5.783 6.730 ( -5.179 2.573 -0.020) 5.783 7.273 ( -2.012 -3.456 2.546) 4.740 7.273 ( -2.012 3.456 2.546) 4.740 7.519 ( 0.984 -6.230 -7.267) 9.622 7.519 ( 0.984 6.230 -7.267) 9.622 7.832 ( 0.003 -2.985 0.837) 3.100 7.832 ( 0.003 2.985 0.837) 3.100 7.987 ( -3.755 -5.813 7.665) 10.327 7.987 ( -3.755 5.813 7.665) 10.327 8.407 ( 11.987 -2.743 2.613) 12.572 8.407 ( 11.987 2.743 2.613) 12.572 8.650 ( -1.977 -11.987 -4.627) 13.000 8.650 ( -1.977 11.987 -4.627) 13.000 9.276 ( -4.199 -10.352 0.001) 11.171 9.276 ( -4.199 10.352 0.001) 11.171 10.411 ( 2.369 -2.200 0.609) 3.290 10.411 ( 2.369 2.200 0.609) 3.290 10.685 ( 2.692 -6.149 -0.281) 6.718 10.685 ( 2.692 6.149 -0.281) 6.718 11.090 ( -2.109 -4.058 0.574) 4.609 11.090 ( -2.109 4.058 0.574) 4.609 11.620 ( 2.289 -7.644 0.151) 7.981 11.620 ( 2.289 7.644 0.151) 7.981 11.936 ( -5.217 -3.098 -1.307) 6.206 11.936 ( -5.217 3.098 -1.307) 6.206 12.131 ( 0.183 -7.121 0.287) 7.129 12.131 ( 0.183 7.121 0.287) 7.129 12.631 ( 0.987 -3.803 -1.061) 4.069 12.631 ( 0.987 3.803 -1.061) 4.069 12.734 ( 1.791 -2.561 1.407) 3.427 12.734 ( 1.791 2.561 1.407) 3.427 ======================= Grid point 407 (189/192) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 2.991 -3.941 0.350) 4.960 3.310 ( 2.991 3.941 0.350) 4.960 3.451 ( -2.402 -8.157 -5.074) 9.902 3.451 ( -2.402 8.157 -5.074) 9.902 3.805 ( 2.052 -15.537 0.746) 15.690 3.805 ( 2.052 15.537 0.746) 15.690 3.905 ( -0.707 -15.315 3.659) 15.762 3.905 ( -0.707 15.315 3.659) 15.762 5.127 ( -2.175 -6.651 1.235) 7.105 5.127 ( -2.175 6.651 1.235) 7.105 5.340 ( -3.441 -11.931 0.142) 12.418 5.340 ( -3.441 11.931 0.142) 12.418 5.946 ( 10.806 -2.498 -2.195) 11.306 5.946 ( 10.806 2.498 -2.195) 11.306 6.266 ( -0.055 -3.772 -3.905) 5.429 6.266 ( -0.055 3.772 -3.905) 5.429 6.614 ( -6.390 -2.817 0.296) 6.990 6.614 ( -6.390 2.817 0.296) 6.990 7.302 ( 2.427 -5.042 2.727) 6.225 7.302 ( 2.427 5.042 2.727) 6.225 7.448 ( -1.397 -3.617 -4.823) 6.188 7.448 ( -1.397 3.617 -4.823) 6.188 7.809 ( -2.178 -5.970 0.160) 6.357 7.809 ( -2.178 5.970 0.160) 6.357 8.094 ( 2.159 -4.232 9.240) 10.390 8.094 ( 2.159 4.232 9.240) 10.390 8.484 ( -0.337 -7.845 -5.777) 9.749 8.484 ( -0.337 7.845 -5.777) 9.749 8.681 ( 7.443 -9.060 0.546) 11.738 8.681 ( 7.443 9.060 0.546) 11.738 9.188 ( -5.372 -13.855 1.040) 14.896 9.188 ( -5.372 13.855 1.040) 14.896 10.470 ( 3.422 -4.890 0.016) 5.968 10.470 ( 3.422 4.890 0.016) 5.968 10.742 ( 3.173 -6.695 0.592) 7.432 10.742 ( 3.173 6.695 0.592) 7.432 11.072 ( -0.676 -5.046 1.650) 5.352 11.072 ( -0.676 5.046 1.650) 5.352 11.661 ( 1.740 -12.175 -0.491) 12.308 11.661 ( 1.740 12.175 -0.491) 12.308 11.843 ( -3.317 -1.066 -0.997) 3.624 11.843 ( -3.317 1.066 -0.997) 3.624 12.082 ( -4.941 -7.899 -0.761) 9.348 12.082 ( -4.941 7.899 -0.761) 9.348 12.658 ( 2.755 -4.190 -1.105) 5.135 12.658 ( 2.755 4.190 -1.105) 5.135 12.785 ( 2.050 -2.846 1.504) 3.816 12.785 ( 2.050 2.846 1.504) 3.816 ======================= Grid point 409 (190/192) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 1.661 -1.770 -3.933) 4.622 3.358 ( 1.661 1.770 -3.933) 4.622 3.384 ( 0.249 -3.773 -0.219) 3.787 3.384 ( 0.249 3.773 -0.219) 3.787 3.849 ( 1.826 -12.212 0.577) 12.361 3.849 ( 1.826 12.212 0.577) 12.361 3.924 ( -0.485 -15.112 2.436) 15.315 3.924 ( -0.485 15.112 2.436) 15.315 5.097 ( -2.656 -4.306 1.393) 5.248 5.097 ( -2.656 4.306 1.393) 5.248 5.283 ( -2.936 -8.779 1.170) 9.330 5.283 ( -2.936 8.779 1.170) 9.330 6.079 ( 4.305 -4.131 -3.040) 6.696 6.079 ( 4.305 4.131 -3.040) 6.696 6.237 ( 3.282 -3.706 -2.970) 5.773 6.237 ( 3.282 3.706 -2.970) 5.773 6.539 ( -2.740 -0.674 1.230) 3.078 6.539 ( -2.740 0.674 1.230) 3.078 7.326 ( -5.126 -4.104 -2.420) 6.998 7.326 ( -5.126 4.104 -2.420) 6.998 7.439 ( 5.439 -6.164 1.746) 8.404 7.439 ( 5.439 6.164 1.746) 8.404 7.773 ( 0.514 -8.870 -3.083) 9.405 7.773 ( 0.514 8.870 -3.083) 9.405 8.117 ( -4.589 -7.968 1.304) 9.287 8.117 ( -4.589 7.968 1.304) 9.287 8.526 ( 6.345 -5.896 2.752) 9.088 8.526 ( 6.345 5.896 2.752) 9.088 8.767 ( 1.178 -9.387 0.107) 9.461 8.767 ( 1.178 9.387 0.107) 9.461 9.129 ( -2.193 -6.208 1.367) 6.725 9.129 ( -2.193 6.208 1.367) 6.725 10.529 ( 3.669 -6.785 -0.861) 7.761 10.529 ( 3.669 6.785 -0.861) 7.761 10.802 ( 1.434 -2.400 2.914) 4.038 10.802 ( 1.434 2.400 2.914) 4.038 11.098 ( 1.803 -5.350 0.708) 5.690 11.098 ( 1.803 5.350 0.708) 5.690 11.649 ( -1.582 -9.109 -1.750) 9.410 11.649 ( -1.582 9.109 -1.750) 9.410 11.815 ( 0.941 -3.331 -0.723) 3.536 11.815 ( 0.941 3.331 -0.723) 3.536 11.965 ( -6.865 -6.706 -0.061) 9.597 11.965 ( -6.865 6.706 -0.061) 9.597 12.701 ( 2.948 -3.921 -0.733) 4.960 12.701 ( 2.948 3.921 -0.733) 4.960 12.828 ( 1.246 -2.970 0.641) 3.284 12.828 ( 1.246 2.970 0.641) 3.284 ======================= Grid point 411 (191/192) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( -0.555 -3.201 -2.474) 4.084 3.318 ( -0.555 3.201 -2.474) 4.084 3.430 ( 2.679 -1.916 -0.110) 3.296 3.430 ( 2.679 1.916 -0.110) 3.296 3.862 ( -0.470 -4.872 -0.370) 4.909 3.862 ( -0.470 4.872 -0.370) 4.909 3.945 ( 0.618 -7.278 1.636) 7.485 3.945 ( 0.618 7.278 1.636) 7.485 5.067 ( -1.833 -2.730 1.315) 3.541 5.067 ( -1.833 2.730 1.315) 3.541 5.264 ( -0.776 -5.644 1.393) 5.865 5.264 ( -0.776 5.644 1.393) 5.865 6.042 ( -2.143 -3.729 -2.889) 5.181 6.042 ( -2.143 3.729 -2.889) 5.181 6.341 ( 5.868 -4.734 0.401) 7.550 6.341 ( 5.868 4.734 0.401) 7.550 6.537 ( 2.002 -2.750 1.180) 3.600 6.537 ( 2.002 2.750 1.180) 3.600 7.131 ( -10.903 -3.268 -4.086) 12.093 7.131 ( -10.903 3.268 -4.086) 12.093 7.577 ( 6.606 -5.813 1.072) 8.864 7.577 ( 6.606 5.813 1.072) 8.864 7.786 ( 3.939 -4.922 -3.885) 7.405 7.786 ( 3.939 4.922 -3.885) 7.405 8.045 ( -3.519 -6.565 1.197) 7.545 8.045 ( -3.519 6.565 1.197) 7.545 8.625 ( -1.558 -13.263 3.536) 13.814 8.625 ( -1.558 13.263 3.536) 13.814 8.792 ( 3.193 -5.960 1.194) 6.866 8.792 ( 3.193 5.960 1.194) 6.866 9.118 ( -0.364 -0.967 -0.061) 1.035 9.118 ( -0.364 0.967 -0.061) 1.035 10.586 ( 3.238 -5.712 -0.698) 6.603 10.586 ( 3.238 5.712 -0.698) 6.603 10.843 ( -0.396 -2.398 3.463) 4.231 10.843 ( -0.396 2.398 3.463) 4.231 11.126 ( 1.192 -2.391 -1.256) 2.952 11.126 ( 1.192 2.391 -1.256) 2.952 11.614 ( 0.694 -5.999 -1.853) 6.316 11.614 ( 0.694 5.999 -1.853) 6.316 11.830 ( -1.804 -8.424 1.545) 8.752 11.830 ( -1.804 8.424 1.545) 8.752 11.852 ( -3.262 -2.181 -0.978) 4.044 11.852 ( -3.262 2.181 -0.978) 4.044 12.749 ( 2.661 -3.440 0.096) 4.350 12.749 ( 2.661 3.440 0.096) 4.350 12.837 ( -0.321 -2.895 -0.358) 2.934 12.837 ( -0.321 2.895 -0.358) 2.934 ======================= Grid point 413 (192/192) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 0.000 -0.000 -0.000) 0.000 3.300 ( 0.000 0.000 -0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 -0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 -0.000) 0.000 5.057 ( 0.000 -0.000 -0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 -0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 -0.000) 0.000 6.003 ( 0.000 0.000 -0.000) 0.000 6.389 ( 0.000 0.000 -0.000) 0.000 6.389 ( 0.000 0.000 0.000) 0.000 6.605 ( -0.000 0.000 -0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 7.653 ( -0.000 0.000 -0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.803 ( 0.000 0.000 -0.000) 0.000 7.803 ( 0.000 0.000 0.000) 0.000 8.023 ( -0.000 0.000 -0.000) 0.000 8.023 ( 0.000 0.000 -0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 -0.000) 0.000 8.846 ( 0.000 0.000 -0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 -0.000) 0.000 11.125 ( 0.000 0.000 -0.000) 0.000 11.626 ( 0.000 -0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 -0.000 -0.000) 0.000 11.778 ( 0.000 -0.000 0.000) 0.000 11.849 ( 0.000 0.000 -0.000) 0.000 11.849 ( 0.000 0.000 0.000) 0.000 12.784 ( 0.000 -0.000 -0.000) 0.000 12.784 ( 0.000 0.000 -0.000) 0.000 12.822 ( 0.000 0.000 -0.000) 0.000 12.822 ( 0.000 0.000 0.000) 0.000 =================== 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 3/28800 10.0 3062.266 2537.796 4029.740 0.000 210.175 0.000 3/28800 20.0 562.254 687.937 567.826 0.000 32.842 0.000 3/28800 30.0 174.580 243.968 167.227 0.000 11.558 0.000 3/28800 40.0 72.025 109.727 66.594 0.000 5.613 0.000 3/28800 50.0 36.718 59.454 33.271 0.000 3.005 0.000 3/28800 60.0 21.879 37.043 19.660 0.000 1.780 0.000 3/28800 70.0 14.598 25.521 13.089 0.000 1.154 0.000 3/28800 80.0 10.574 18.911 9.487 0.000 0.808 0.000 3/28800 90.0 8.137 14.786 7.312 0.000 0.602 0.000 3/28800 100.0 6.551 12.038 5.897 0.000 0.470 0.000 3/28800 110.0 5.458 10.108 4.920 0.000 0.382 0.000 3/28800 120.0 4.669 8.696 4.215 0.000 0.320 0.000 3/28800 130.0 4.078 7.625 3.684 0.000 0.275 0.000 3/28800 140.0 3.620 6.789 3.273 0.000 0.241 0.000 3/28800 150.0 3.257 6.121 2.946 0.000 0.214 0.000 3/28800 160.0 2.962 5.576 2.680 0.000 0.193 0.000 3/28800 170.0 2.718 5.123 2.459 0.000 0.176 0.000 3/28800 180.0 2.513 4.741 2.274 0.000 0.161 0.000 3/28800 190.0 2.338 4.415 2.116 0.000 0.149 0.000 3/28800 200.0 2.187 4.133 1.979 0.000 0.139 0.000 3/28800 210.0 2.055 3.886 1.860 0.000 0.130 0.000 3/28800 220.0 1.940 3.669 1.754 0.000 0.123 0.000 3/28800 230.0 1.837 3.476 1.661 0.000 0.116 0.000 3/28800 240.0 1.745 3.303 1.578 0.000 0.110 0.000 3/28800 250.0 1.662 3.148 1.503 0.000 0.104 0.000 3/28800 260.0 1.588 3.007 1.435 0.000 0.100 0.000 3/28800 270.0 1.520 2.879 1.373 0.000 0.095 0.000 3/28800 280.0 1.458 2.762 1.317 0.000 0.091 0.000 3/28800 290.0 1.401 2.654 1.265 0.000 0.088 0.000 3/28800 300.0 1.348 2.555 1.218 0.000 0.084 0.000 3/28800 310.0 1.300 2.464 1.174 0.000 0.081 0.000 3/28800 320.0 1.255 2.379 1.133 0.000 0.078 0.000 3/28800 330.0 1.213 2.300 1.095 0.000 0.076 0.000 3/28800 340.0 1.174 2.226 1.060 0.000 0.073 0.000 3/28800 350.0 1.137 2.157 1.027 0.000 0.071 0.000 3/28800 360.0 1.103 2.092 0.996 0.000 0.069 0.000 3/28800 370.0 1.071 2.031 0.966 0.000 0.067 0.000 3/28800 380.0 1.040 1.974 0.939 0.000 0.065 0.000 3/28800 390.0 1.012 1.920 0.913 0.000 0.063 0.000 3/28800 400.0 0.985 1.869 0.889 0.000 0.061 0.000 3/28800 410.0 0.959 1.821 0.866 0.000 0.060 0.000 3/28800 420.0 0.935 1.775 0.844 0.000 0.058 0.000 3/28800 430.0 0.912 1.731 0.823 0.000 0.057 0.000 3/28800 440.0 0.890 1.690 0.803 0.000 0.055 0.000 3/28800 450.0 0.870 1.651 0.784 0.000 0.054 0.000 3/28800 460.0 0.850 1.613 0.766 0.000 0.053 0.000 3/28800 470.0 0.831 1.577 0.749 0.000 0.052 0.000 3/28800 480.0 0.813 1.543 0.733 0.000 0.050 0.000 3/28800 490.0 0.796 1.510 0.717 0.000 0.049 0.000 3/28800 500.0 0.779 1.479 0.702 0.000 0.048 0.000 3/28800 510.0 0.763 1.449 0.688 0.000 0.047 0.000 3/28800 520.0 0.748 1.420 0.674 0.000 0.046 0.000 3/28800 530.0 0.733 1.392 0.661 0.000 0.045 0.000 3/28800 540.0 0.719 1.366 0.648 0.000 0.045 0.000 3/28800 550.0 0.706 1.340 0.636 0.000 0.044 0.000 3/28800 560.0 0.693 1.316 0.624 0.000 0.043 0.000 3/28800 570.0 0.680 1.292 0.613 0.000 0.042 0.000 3/28800 580.0 0.668 1.269 0.602 0.000 0.041 0.000 3/28800 590.0 0.657 1.247 0.592 0.000 0.041 0.000 3/28800 600.0 0.645 1.226 0.582 0.000 0.040 0.000 3/28800 610.0 0.635 1.205 0.572 0.000 0.039 0.000 3/28800 620.0 0.624 1.185 0.562 0.000 0.039 0.000 3/28800 630.0 0.614 1.166 0.553 0.000 0.038 0.000 3/28800 640.0 0.604 1.147 0.544 0.000 0.037 0.000 3/28800 650.0 0.595 1.129 0.536 0.000 0.037 0.000 3/28800 660.0 0.585 1.112 0.527 0.000 0.036 0.000 3/28800 670.0 0.576 1.095 0.519 0.000 0.036 0.000 3/28800 680.0 0.568 1.079 0.512 0.000 0.035 0.000 3/28800 690.0 0.559 1.063 0.504 0.000 0.035 0.000 3/28800 700.0 0.551 1.047 0.497 0.000 0.034 0.000 3/28800 710.0 0.543 1.032 0.489 0.000 0.034 0.000 3/28800 720.0 0.536 1.018 0.483 0.000 0.033 0.000 3/28800 730.0 0.528 1.004 0.476 0.000 0.033 0.000 3/28800 740.0 0.521 0.990 0.469 0.000 0.032 0.000 3/28800 750.0 0.514 0.976 0.463 0.000 0.032 0.000 3/28800 760.0 0.507 0.963 0.457 0.000 0.031 0.000 3/28800 770.0 0.500 0.951 0.451 0.000 0.031 0.000 3/28800 780.0 0.494 0.938 0.445 0.000 0.031 0.000 3/28800 790.0 0.488 0.926 0.439 0.000 0.030 0.000 3/28800 800.0 0.481 0.915 0.434 0.000 0.030 0.000 3/28800 810.0 0.475 0.903 0.428 0.000 0.029 0.000 3/28800 820.0 0.470 0.892 0.423 0.000 0.029 0.000 3/28800 830.0 0.464 0.881 0.418 0.000 0.029 0.000 3/28800 840.0 0.458 0.871 0.413 0.000 0.028 0.000 3/28800 850.0 0.453 0.860 0.408 0.000 0.028 0.000 3/28800 860.0 0.447 0.850 0.403 0.000 0.028 0.000 3/28800 870.0 0.442 0.840 0.398 0.000 0.027 0.000 3/28800 880.0 0.437 0.831 0.394 0.000 0.027 0.000 3/28800 890.0 0.432 0.821 0.389 0.000 0.027 0.000 3/28800 900.0 0.427 0.812 0.385 0.000 0.026 0.000 3/28800 910.0 0.423 0.803 0.381 0.000 0.026 0.000 3/28800 920.0 0.418 0.794 0.376 0.000 0.026 0.000 3/28800 930.0 0.413 0.786 0.372 0.000 0.026 0.000 3/28800 940.0 0.409 0.777 0.368 0.000 0.025 0.000 3/28800 950.0 0.405 0.769 0.364 0.000 0.025 0.000 3/28800 960.0 0.400 0.761 0.360 0.000 0.025 0.000 3/28800 970.0 0.396 0.753 0.357 0.000 0.024 0.000 3/28800 980.0 0.392 0.745 0.353 0.000 0.024 0.000 3/28800 990.0 0.388 0.738 0.349 0.000 0.024 0.000 3/28800 1000.0 0.384 0.730 0.346 0.000 0.024 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:27:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|