----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:00:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] 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 6.037422111211429 0.000000000000000 0.000000000000000 b 0.000000000000000 12.119732120000004 0.000000000000000 c -0.712435469062290 0.000000000000000 6.186172522960015 Atomic positions (fractional): *1 S 0.42736457270472 0.15801730290785 0.11481141007110 32.065 2 S 0.57263542729528 0.65801730290785 0.38518858992889 32.065 3 S 0.57263542729528 0.84198269709215 0.88518858992890 32.065 4 S 0.42736457270472 0.34198269709215 0.61481141007110 32.065 *5 S 0.87801053735952 0.37557206958743 0.23101545963561 32.065 6 S 0.87801053735952 0.12442793041257 0.73101545963561 32.065 7 S 0.12198946264047 0.62442793041257 0.76898454036439 32.065 8 S 0.12198946264047 0.87557206958743 0.26898454036439 32.065 *9 Sn 0.45422837616072 0.13182566823418 0.70174693702372 118.710 10 Sn 0.54577162383927 0.86817433176582 0.29825306297628 118.710 11 Sn 0.54577162383927 0.63182566823418 0.79825306297628 118.710 12 Sn 0.45422837616072 0.36817433176582 0.20174693702372 118.710 *13 Ba 0.93945610267150 0.11975744649269 0.23884442301327 137.327 14 Ba 0.06054389732850 0.61975744649269 0.26115557698673 137.327 15 Ba 0.06054389732850 0.88024255350731 0.76115557698673 137.327 16 Ba 0.93945610267150 0.38024255350731 0.73884442301327 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.037422111211429 0.000000000000000 0.000000000000000 b 0.000000000000000 12.119732120000004 0.000000000000000 c -0.712435469062290 0.000000000000000 6.186172522960015 Atomic positions (fractional): *1 S 0.42736457270472 0.15801730290785 0.11481141007110 32.065 > 1 2 S 0.57263542729528 0.65801730290785 0.38518858992889 32.065 > 2 3 S 0.57263542729528 0.84198269709215 0.88518858992890 32.065 > 3 4 S 0.42736457270472 0.34198269709215 0.61481141007110 32.065 > 4 *5 S 0.87801053735952 0.37557206958743 0.23101545963561 32.065 > 5 6 S 0.87801053735952 0.12442793041257 0.73101545963561 32.065 > 6 7 S 0.12198946264047 0.62442793041257 0.76898454036439 32.065 > 7 8 S 0.12198946264047 0.87557206958743 0.26898454036439 32.065 > 8 *9 Sn 0.45422837616072 0.13182566823418 0.70174693702372 118.710 > 9 10 Sn 0.54577162383927 0.86817433176582 0.29825306297628 118.710 > 10 11 Sn 0.54577162383927 0.63182566823418 0.79825306297628 118.710 > 11 12 Sn 0.45422837616072 0.36817433176582 0.20174693702372 118.710 > 12 *13 Ba 0.93945610267150 0.11975744649269 0.23884442301327 137.327 > 13 14 Ba 0.06054389732850 0.61975744649269 0.26115557698673 137.327 > 14 15 Ba 0.06054389732850 0.88024255350731 0.76115557698673 137.327 > 15 16 Ba 0.93945610267150 0.38024255350731 0.73884442301327 137.327 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.112266333634288 0.000000000000000 0.000000000000000 b 0.000000000000000 12.119732120000004 0.000000000000000 c -1.424870938124580 0.000000000000000 12.372345045920030 Atomic positions (fractional): *1 S 0.14245485756824 0.15801730290785 0.05740570503555 32.065 > 1 2 S 0.47578819090157 0.15801730290785 0.05740570503555 32.065 > 1 3 S 0.80912152423491 0.15801730290785 0.05740570503555 32.065 > 1 4 S 0.14245485756824 0.15801730290785 0.55740570503555 32.065 > 1 5 S 0.47578819090157 0.15801730290785 0.55740570503555 32.065 > 1 6 S 0.80912152423491 0.15801730290785 0.55740570503555 32.065 > 1 7 S 0.19087847576509 0.65801730290785 0.19259429496445 32.065 > 2 8 S 0.52421180909843 0.65801730290785 0.19259429496445 32.065 > 2 9 S 0.85754514243176 0.65801730290785 0.19259429496445 32.065 > 2 10 S 0.19087847576509 0.65801730290785 0.69259429496445 32.065 > 2 11 S 0.52421180909843 0.65801730290785 0.69259429496445 32.065 > 2 12 S 0.85754514243176 0.65801730290785 0.69259429496445 32.065 > 2 13 S 0.19087847576509 0.84198269709215 0.44259429496445 32.065 > 3 14 S 0.52421180909843 0.84198269709215 0.44259429496445 32.065 > 3 15 S 0.85754514243176 0.84198269709215 0.44259429496445 32.065 > 3 16 S 0.19087847576509 0.84198269709215 0.94259429496445 32.065 > 3 17 S 0.52421180909843 0.84198269709215 0.94259429496445 32.065 > 3 18 S 0.85754514243176 0.84198269709215 0.94259429496445 32.065 > 3 19 S 0.14245485756824 0.34198269709215 0.30740570503555 32.065 > 4 20 S 0.47578819090157 0.34198269709215 0.30740570503555 32.065 > 4 21 S 0.80912152423491 0.34198269709215 0.30740570503555 32.065 > 4 22 S 0.14245485756824 0.34198269709215 0.80740570503555 32.065 > 4 23 S 0.47578819090157 0.34198269709215 0.80740570503555 32.065 > 4 24 S 0.80912152423491 0.34198269709215 0.80740570503555 32.065 > 4 *25 S 0.29267017911984 0.37557206958743 0.11550772981781 32.065 > 5 26 S 0.62600351245317 0.37557206958743 0.11550772981781 32.065 > 5 27 S 0.95933684578651 0.37557206958743 0.11550772981781 32.065 > 5 28 S 0.29267017911984 0.37557206958743 0.61550772981781 32.065 > 5 29 S 0.62600351245317 0.37557206958743 0.61550772981781 32.065 > 5 30 S 0.95933684578651 0.37557206958743 0.61550772981781 32.065 > 5 31 S 0.29267017911984 0.12442793041257 0.36550772981781 32.065 > 6 32 S 0.62600351245317 0.12442793041257 0.36550772981781 32.065 > 6 33 S 0.95933684578651 0.12442793041257 0.36550772981781 32.065 > 6 34 S 0.29267017911984 0.12442793041257 0.86550772981781 32.065 > 6 35 S 0.62600351245317 0.12442793041257 0.86550772981781 32.065 > 6 36 S 0.95933684578651 0.12442793041257 0.86550772981781 32.065 > 6 37 S 0.04066315421349 0.62442793041257 0.38449227018219 32.065 > 7 38 S 0.37399648754682 0.62442793041257 0.38449227018219 32.065 > 7 39 S 0.70732982088016 0.62442793041257 0.38449227018219 32.065 > 7 40 S 0.04066315421349 0.62442793041257 0.88449227018219 32.065 > 7 41 S 0.37399648754682 0.62442793041257 0.88449227018219 32.065 > 7 42 S 0.70732982088016 0.62442793041257 0.88449227018219 32.065 > 7 43 S 0.04066315421349 0.87557206958743 0.13449227018219 32.065 > 8 44 S 0.37399648754682 0.87557206958743 0.13449227018219 32.065 > 8 45 S 0.70732982088016 0.87557206958743 0.13449227018219 32.065 > 8 46 S 0.04066315421349 0.87557206958743 0.63449227018219 32.065 > 8 47 S 0.37399648754682 0.87557206958743 0.63449227018219 32.065 > 8 48 S 0.70732982088016 0.87557206958743 0.63449227018219 32.065 > 8 *49 Sn 0.15140945872024 0.13182566823418 0.35087346851186 118.710 > 9 50 Sn 0.48474279205357 0.13182566823418 0.35087346851186 118.710 > 9 51 Sn 0.81807612538691 0.13182566823418 0.35087346851186 118.710 > 9 52 Sn 0.15140945872024 0.13182566823418 0.85087346851186 118.710 > 9 53 Sn 0.48474279205357 0.13182566823418 0.85087346851186 118.710 > 9 54 Sn 0.81807612538691 0.13182566823418 0.85087346851186 118.710 > 9 55 Sn 0.18192387461309 0.86817433176582 0.14912653148814 118.710 > 10 56 Sn 0.51525720794642 0.86817433176582 0.14912653148814 118.710 > 10 57 Sn 0.84859054127976 0.86817433176582 0.14912653148814 118.710 > 10 58 Sn 0.18192387461309 0.86817433176582 0.64912653148814 118.710 > 10 59 Sn 0.51525720794642 0.86817433176582 0.64912653148814 118.710 > 10 60 Sn 0.84859054127976 0.86817433176582 0.64912653148814 118.710 > 10 61 Sn 0.18192387461309 0.63182566823418 0.39912653148814 118.710 > 11 62 Sn 0.51525720794642 0.63182566823418 0.39912653148814 118.710 > 11 63 Sn 0.84859054127976 0.63182566823418 0.39912653148814 118.710 > 11 64 Sn 0.18192387461309 0.63182566823418 0.89912653148814 118.710 > 11 65 Sn 0.51525720794642 0.63182566823418 0.89912653148814 118.710 > 11 66 Sn 0.84859054127976 0.63182566823418 0.89912653148814 118.710 > 11 67 Sn 0.15140945872024 0.36817433176582 0.10087346851186 118.710 > 12 68 Sn 0.48474279205357 0.36817433176582 0.10087346851186 118.710 > 12 69 Sn 0.81807612538691 0.36817433176582 0.10087346851186 118.710 > 12 70 Sn 0.15140945872024 0.36817433176582 0.60087346851186 118.710 > 12 71 Sn 0.48474279205357 0.36817433176582 0.60087346851186 118.710 > 12 72 Sn 0.81807612538691 0.36817433176582 0.60087346851186 118.710 > 12 *73 Ba 0.31315203422383 0.11975744649269 0.11942221150663 137.327 > 13 74 Ba 0.64648536755717 0.11975744649269 0.11942221150663 137.327 > 13 75 Ba 0.97981870089050 0.11975744649269 0.11942221150663 137.327 > 13 76 Ba 0.31315203422383 0.11975744649269 0.61942221150663 137.327 > 13 77 Ba 0.64648536755717 0.11975744649269 0.61942221150663 137.327 > 13 78 Ba 0.97981870089050 0.11975744649269 0.61942221150663 137.327 > 13 79 Ba 0.02018129910950 0.61975744649269 0.13057778849337 137.327 > 14 80 Ba 0.35351463244283 0.61975744649269 0.13057778849337 137.327 > 14 81 Ba 0.68684796577617 0.61975744649269 0.13057778849337 137.327 > 14 82 Ba 0.02018129910950 0.61975744649269 0.63057778849337 137.327 > 14 83 Ba 0.35351463244283 0.61975744649269 0.63057778849337 137.327 > 14 84 Ba 0.68684796577617 0.61975744649269 0.63057778849337 137.327 > 14 85 Ba 0.02018129910950 0.88024255350731 0.38057778849337 137.327 > 15 86 Ba 0.35351463244283 0.88024255350731 0.38057778849337 137.327 > 15 87 Ba 0.68684796577617 0.88024255350731 0.38057778849337 137.327 > 15 88 Ba 0.02018129910950 0.88024255350731 0.88057778849337 137.327 > 15 89 Ba 0.35351463244283 0.88024255350731 0.88057778849337 137.327 > 15 90 Ba 0.68684796577617 0.88024255350731 0.88057778849337 137.327 > 15 91 Ba 0.31315203422383 0.38024255350731 0.36942221150663 137.327 > 16 92 Ba 0.64648536755717 0.38024255350731 0.36942221150663 137.327 > 16 93 Ba 0.97981870089050 0.38024255350731 0.36942221150663 137.327 > 16 94 Ba 0.31315203422383 0.38024255350731 0.86942221150663 137.327 > 16 95 Ba 0.64648536755717 0.38024255350731 0.86942221150663 137.327 > 16 96 Ba 0.97981870089050 0.38024255350731 0.86942221150663 137.327 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4128463 0.0000000 -0.2125440 0.0000000 7.6157737 0.0000000 -0.2125422 0.0000000 8.3655127 -------------------------- Born effective charges -------------------------- 1 S -2.3081394 -0.0224103 0.2783565 0.1694213 -2.7982814 -0.5961295 0.2955023 -0.8421082 -3.3358276 2 S -2.3081394 0.0224103 0.2783565 -0.1694213 -2.7982814 0.5961295 0.2955023 0.8421082 -3.3358276 3 S -2.3081394 -0.0224103 0.2783565 0.1694213 -2.7982814 -0.5961295 0.2955023 -0.8421082 -3.3358276 4 S -2.3081394 0.0224103 0.2783565 -0.1694213 -2.7982814 0.5961295 0.2955023 0.8421082 -3.3358276 5 S -3.0038410 -0.0477013 -0.0736176 -0.2313758 -2.1682462 -0.0099814 -0.0213943 -0.0733394 -2.0877378 6 S -3.0038410 0.0477013 -0.0736176 0.2313758 -2.1682462 0.0099814 -0.0213943 0.0733394 -2.0877378 7 S -3.0038410 -0.0477013 -0.0736176 -0.2313758 -2.1682462 -0.0099814 -0.0213943 -0.0733394 -2.0877378 8 S -3.0038410 0.0477013 -0.0736176 0.2313758 -2.1682462 0.0099814 -0.0213943 0.0733394 -2.0877378 9 Sn 2.6242694 -0.2555864 -0.2784891 -0.5974818 2.1164316 0.0053479 -0.3995659 -0.6646315 2.6417943 10 Sn 2.6242694 -0.2555864 -0.2784891 -0.5974818 2.1164316 0.0053479 -0.3995659 -0.6646315 2.6417943 11 Sn 2.6242694 0.2555864 -0.2784891 0.5974818 2.1164316 -0.0053479 -0.3995659 0.6646315 2.6417943 12 Sn 2.6242694 0.2555864 -0.2784891 0.5974818 2.1164316 -0.0053479 -0.3995659 0.6646315 2.6417943 13 Ba 2.6877110 -0.3425895 0.0737503 0.0178274 2.8500960 -0.0940663 0.1254578 -0.1900902 2.7817712 14 Ba 2.6877110 0.3425895 0.0737503 -0.0178274 2.8500960 0.0940663 0.1254578 0.1900902 2.7817712 15 Ba 2.6877110 -0.3425895 0.0737503 0.0178274 2.8500960 -0.0940663 0.1254578 -0.1900902 2.7817712 16 Ba 2.6877110 0.3425895 0.0737503 -0.0178274 2.8500960 0.0940663 0.1254578 0.1900902 2.7817712 ---------------------------------------------------------------------------- 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: 1812 Number of blocks in projector: 1812 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: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1812, 1777), data: False |-- (220, 216), data: True |-- (220, 216), data: True |-- (220, 216), 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: 2.510 Solver_block: 200 / 480 - Time: 2.512 Solver_block: 300 / 480 - Time: 2.518 Solver_block: 400 / 480 - Time: 2.531 Solver_block: 480 / 480 - Time: 2.047 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.161 --------------------------------- 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: 1812 Number of blocks in projector: 1812 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: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1812, 1777), data: False |-- (220, 216), data: True |-- (220, 216), data: True |-- (220, 216), 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 2026-01-08 00:00:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:00:49]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.037422111211429 0.000000000000000 0.000000000000000 b 0.000000000000000 12.119732120000004 0.000000000000000 c -0.712435469062290 0.000000000000000 6.186172522960015 Atomic positions (fractional): 1 S 0.42736457270472 0.15801730290785 0.11481141007110 32.065 2 S 0.57263542729528 0.65801730290785 0.38518858992889 32.065 3 S 0.57263542729528 0.84198269709215 0.88518858992890 32.065 4 S 0.42736457270472 0.34198269709215 0.61481141007110 32.065 5 S 0.87801053735952 0.37557206958743 0.23101545963561 32.065 6 S 0.87801053735952 0.12442793041257 0.73101545963561 32.065 7 S 0.12198946264047 0.62442793041257 0.76898454036439 32.065 8 S 0.12198946264047 0.87557206958743 0.26898454036439 32.065 9 Sn 0.45422837616072 0.13182566823418 0.70174693702372 118.710 10 Sn 0.54577162383927 0.86817433176582 0.29825306297628 118.710 11 Sn 0.54577162383927 0.63182566823418 0.79825306297628 118.710 12 Sn 0.45422837616072 0.36817433176582 0.20174693702372 118.710 13 Ba 0.93945610267150 0.11975744649269 0.23884442301327 137.327 14 Ba 0.06054389732850 0.61975744649269 0.26115557698673 137.327 15 Ba 0.06054389732850 0.88024255350731 0.76115557698673 137.327 16 Ba 0.93945610267150 0.38024255350731 0.73884442301327 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.112266333634288 0.000000000000000 0.000000000000000 b 0.000000000000000 12.119732120000004 0.000000000000000 c -1.424870938124580 0.000000000000000 12.372345045920030 Atomic positions (fractional): 1 S 0.14245485756824 0.15801730290785 0.05740570503555 32.065 > 1 2 S 0.47578819090157 0.15801730290785 0.05740570503555 32.065 > 1 3 S 0.80912152423491 0.15801730290785 0.05740570503555 32.065 > 1 4 S 0.14245485756824 0.15801730290785 0.55740570503555 32.065 > 1 5 S 0.47578819090157 0.15801730290785 0.55740570503555 32.065 > 1 6 S 0.80912152423491 0.15801730290785 0.55740570503555 32.065 > 1 7 S 0.19087847576509 0.65801730290785 0.19259429496445 32.065 > 7 8 S 0.52421180909843 0.65801730290785 0.19259429496445 32.065 > 7 9 S 0.85754514243176 0.65801730290785 0.19259429496445 32.065 > 7 10 S 0.19087847576509 0.65801730290785 0.69259429496445 32.065 > 7 11 S 0.52421180909843 0.65801730290785 0.69259429496445 32.065 > 7 12 S 0.85754514243176 0.65801730290785 0.69259429496445 32.065 > 7 13 S 0.19087847576509 0.84198269709215 0.44259429496445 32.065 > 13 14 S 0.52421180909843 0.84198269709215 0.44259429496445 32.065 > 13 15 S 0.85754514243176 0.84198269709215 0.44259429496445 32.065 > 13 16 S 0.19087847576509 0.84198269709215 0.94259429496445 32.065 > 13 17 S 0.52421180909843 0.84198269709215 0.94259429496445 32.065 > 13 18 S 0.85754514243176 0.84198269709215 0.94259429496445 32.065 > 13 19 S 0.14245485756824 0.34198269709215 0.30740570503555 32.065 > 19 20 S 0.47578819090157 0.34198269709215 0.30740570503555 32.065 > 19 21 S 0.80912152423491 0.34198269709215 0.30740570503555 32.065 > 19 22 S 0.14245485756824 0.34198269709215 0.80740570503555 32.065 > 19 23 S 0.47578819090157 0.34198269709215 0.80740570503555 32.065 > 19 24 S 0.80912152423491 0.34198269709215 0.80740570503555 32.065 > 19 25 S 0.29267017911984 0.37557206958743 0.11550772981781 32.065 > 25 26 S 0.62600351245317 0.37557206958743 0.11550772981781 32.065 > 25 27 S 0.95933684578651 0.37557206958743 0.11550772981781 32.065 > 25 28 S 0.29267017911984 0.37557206958743 0.61550772981781 32.065 > 25 29 S 0.62600351245317 0.37557206958743 0.61550772981781 32.065 > 25 30 S 0.95933684578651 0.37557206958743 0.61550772981781 32.065 > 25 31 S 0.29267017911984 0.12442793041257 0.36550772981781 32.065 > 31 32 S 0.62600351245317 0.12442793041257 0.36550772981781 32.065 > 31 33 S 0.95933684578651 0.12442793041257 0.36550772981781 32.065 > 31 34 S 0.29267017911984 0.12442793041257 0.86550772981781 32.065 > 31 35 S 0.62600351245317 0.12442793041257 0.86550772981781 32.065 > 31 36 S 0.95933684578651 0.12442793041257 0.86550772981781 32.065 > 31 37 S 0.04066315421349 0.62442793041257 0.38449227018219 32.065 > 37 38 S 0.37399648754682 0.62442793041257 0.38449227018219 32.065 > 37 39 S 0.70732982088016 0.62442793041257 0.38449227018219 32.065 > 37 40 S 0.04066315421349 0.62442793041257 0.88449227018219 32.065 > 37 41 S 0.37399648754682 0.62442793041257 0.88449227018219 32.065 > 37 42 S 0.70732982088016 0.62442793041257 0.88449227018219 32.065 > 37 43 S 0.04066315421349 0.87557206958743 0.13449227018219 32.065 > 43 44 S 0.37399648754682 0.87557206958743 0.13449227018219 32.065 > 43 45 S 0.70732982088016 0.87557206958743 0.13449227018219 32.065 > 43 46 S 0.04066315421349 0.87557206958743 0.63449227018219 32.065 > 43 47 S 0.37399648754682 0.87557206958743 0.63449227018219 32.065 > 43 48 S 0.70732982088016 0.87557206958743 0.63449227018219 32.065 > 43 49 Sn 0.15140945872024 0.13182566823418 0.35087346851186 118.710 > 49 50 Sn 0.48474279205357 0.13182566823418 0.35087346851186 118.710 > 49 51 Sn 0.81807612538691 0.13182566823418 0.35087346851186 118.710 > 49 52 Sn 0.15140945872024 0.13182566823418 0.85087346851186 118.710 > 49 53 Sn 0.48474279205357 0.13182566823418 0.85087346851186 118.710 > 49 54 Sn 0.81807612538691 0.13182566823418 0.85087346851186 118.710 > 49 55 Sn 0.18192387461309 0.86817433176582 0.14912653148814 118.710 > 55 56 Sn 0.51525720794642 0.86817433176582 0.14912653148814 118.710 > 55 57 Sn 0.84859054127976 0.86817433176582 0.14912653148814 118.710 > 55 58 Sn 0.18192387461309 0.86817433176582 0.64912653148814 118.710 > 55 59 Sn 0.51525720794642 0.86817433176582 0.64912653148814 118.710 > 55 60 Sn 0.84859054127976 0.86817433176582 0.64912653148814 118.710 > 55 61 Sn 0.18192387461309 0.63182566823418 0.39912653148814 118.710 > 61 62 Sn 0.51525720794642 0.63182566823418 0.39912653148814 118.710 > 61 63 Sn 0.84859054127976 0.63182566823418 0.39912653148814 118.710 > 61 64 Sn 0.18192387461309 0.63182566823418 0.89912653148814 118.710 > 61 65 Sn 0.51525720794642 0.63182566823418 0.89912653148814 118.710 > 61 66 Sn 0.84859054127976 0.63182566823418 0.89912653148814 118.710 > 61 67 Sn 0.15140945872024 0.36817433176582 0.10087346851186 118.710 > 67 68 Sn 0.48474279205357 0.36817433176582 0.10087346851186 118.710 > 67 69 Sn 0.81807612538691 0.36817433176582 0.10087346851186 118.710 > 67 70 Sn 0.15140945872024 0.36817433176582 0.60087346851186 118.710 > 67 71 Sn 0.48474279205357 0.36817433176582 0.60087346851186 118.710 > 67 72 Sn 0.81807612538691 0.36817433176582 0.60087346851186 118.710 > 67 73 Ba 0.31315203422383 0.11975744649269 0.11942221150663 137.327 > 73 74 Ba 0.64648536755717 0.11975744649269 0.11942221150663 137.327 > 73 75 Ba 0.97981870089050 0.11975744649269 0.11942221150663 137.327 > 73 76 Ba 0.31315203422383 0.11975744649269 0.61942221150663 137.327 > 73 77 Ba 0.64648536755717 0.11975744649269 0.61942221150663 137.327 > 73 78 Ba 0.97981870089050 0.11975744649269 0.61942221150663 137.327 > 73 79 Ba 0.02018129910950 0.61975744649269 0.13057778849337 137.327 > 79 80 Ba 0.35351463244283 0.61975744649269 0.13057778849337 137.327 > 79 81 Ba 0.68684796577617 0.61975744649269 0.13057778849337 137.327 > 79 82 Ba 0.02018129910950 0.61975744649269 0.63057778849337 137.327 > 79 83 Ba 0.35351463244283 0.61975744649269 0.63057778849337 137.327 > 79 84 Ba 0.68684796577617 0.61975744649269 0.63057778849337 137.327 > 79 85 Ba 0.02018129910950 0.88024255350731 0.38057778849337 137.327 > 85 86 Ba 0.35351463244283 0.88024255350731 0.38057778849337 137.327 > 85 87 Ba 0.68684796577617 0.88024255350731 0.38057778849337 137.327 > 85 88 Ba 0.02018129910950 0.88024255350731 0.88057778849337 137.327 > 85 89 Ba 0.35351463244283 0.88024255350731 0.88057778849337 137.327 > 85 90 Ba 0.68684796577617 0.88024255350731 0.88057778849337 137.327 > 85 91 Ba 0.31315203422383 0.38024255350731 0.36942221150663 137.327 > 91 92 Ba 0.64648536755717 0.38024255350731 0.36942221150663 137.327 > 91 93 Ba 0.97981870089050 0.38024255350731 0.36942221150663 137.327 > 91 94 Ba 0.31315203422383 0.38024255350731 0.86942221150663 137.327 > 91 95 Ba 0.64648536755717 0.38024255350731 0.86942221150663 137.327 > 91 96 Ba 0.97981870089050 0.38024255350731 0.86942221150663 137.327 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4128463 0.0000000 -0.2125440 0.0000000 7.6157737 0.0000000 -0.2125422 0.0000000 8.3655127 -------------------------- Born effective charges -------------------------- 1 S -2.3081394 -0.0224103 0.2783565 0.1694213 -2.7982814 -0.5961295 0.2955023 -0.8421082 -3.3358276 2 S -2.3081394 0.0224103 0.2783565 -0.1694213 -2.7982814 0.5961295 0.2955023 0.8421082 -3.3358276 3 S -2.3081394 -0.0224103 0.2783565 0.1694213 -2.7982814 -0.5961295 0.2955023 -0.8421082 -3.3358276 4 S -2.3081394 0.0224103 0.2783565 -0.1694213 -2.7982814 0.5961295 0.2955023 0.8421082 -3.3358276 5 S -3.0038410 -0.0477013 -0.0736176 -0.2313758 -2.1682462 -0.0099814 -0.0213943 -0.0733394 -2.0877378 6 S -3.0038410 0.0477013 -0.0736176 0.2313758 -2.1682462 0.0099814 -0.0213943 0.0733394 -2.0877378 7 S -3.0038410 -0.0477013 -0.0736176 -0.2313758 -2.1682462 -0.0099814 -0.0213943 -0.0733394 -2.0877378 8 S -3.0038410 0.0477013 -0.0736176 0.2313758 -2.1682462 0.0099814 -0.0213943 0.0733394 -2.0877378 9 Sn 2.6242694 -0.2555864 -0.2784891 -0.5974818 2.1164316 0.0053479 -0.3995659 -0.6646315 2.6417943 10 Sn 2.6242694 -0.2555864 -0.2784891 -0.5974818 2.1164316 0.0053479 -0.3995659 -0.6646315 2.6417943 11 Sn 2.6242694 0.2555864 -0.2784891 0.5974818 2.1164316 -0.0053479 -0.3995659 0.6646315 2.6417943 12 Sn 2.6242694 0.2555864 -0.2784891 0.5974818 2.1164316 -0.0053479 -0.3995659 0.6646315 2.6417943 13 Ba 2.6877110 -0.3425895 0.0737503 0.0178274 2.8500960 -0.0940663 0.1254578 -0.1900902 2.7817712 14 Ba 2.6877110 0.3425895 0.0737503 -0.0178274 2.8500960 0.0940663 0.1254578 0.1900902 2.7817712 15 Ba 2.6877110 -0.3425895 0.0737503 0.0178274 2.8500960 -0.0940663 0.1254578 -0.1900902 2.7817712 16 Ba 2.6877110 0.3425895 0.0737503 -0.0178274 2.8500960 0.0940663 0.1254578 0.1900902 2.7817712 ---------------------------------------------------------------------------- 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 2026-01-08 00:01:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:01:03]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.037422111211429 0.000000000000000 0.000000000000000 b 0.000000000000000 12.119732120000004 0.000000000000000 c -0.712435469062290 0.000000000000000 6.186172522960015 Atomic positions (fractional): 1 S 0.42736457270472 0.15801730290785 0.11481141007110 32.065 2 S 0.57263542729528 0.65801730290785 0.38518858992889 32.065 3 S 0.57263542729528 0.84198269709215 0.88518858992890 32.065 4 S 0.42736457270472 0.34198269709215 0.61481141007110 32.065 5 S 0.87801053735952 0.37557206958743 0.23101545963561 32.065 6 S 0.87801053735952 0.12442793041257 0.73101545963561 32.065 7 S 0.12198946264047 0.62442793041257 0.76898454036439 32.065 8 S 0.12198946264047 0.87557206958743 0.26898454036439 32.065 9 Sn 0.45422837616072 0.13182566823418 0.70174693702372 118.710 10 Sn 0.54577162383927 0.86817433176582 0.29825306297628 118.710 11 Sn 0.54577162383927 0.63182566823418 0.79825306297628 118.710 12 Sn 0.45422837616072 0.36817433176582 0.20174693702372 118.710 13 Ba 0.93945610267150 0.11975744649269 0.23884442301327 137.327 14 Ba 0.06054389732850 0.61975744649269 0.26115557698673 137.327 15 Ba 0.06054389732850 0.88024255350731 0.76115557698673 137.327 16 Ba 0.93945610267150 0.38024255350731 0.73884442301327 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.112266333634288 0.000000000000000 0.000000000000000 b 0.000000000000000 12.119732120000004 0.000000000000000 c -1.424870938124580 0.000000000000000 12.372345045920030 Atomic positions (fractional): 1 S 0.14245485756824 0.15801730290785 0.05740570503555 32.065 > 1 2 S 0.47578819090157 0.15801730290785 0.05740570503555 32.065 > 1 3 S 0.80912152423491 0.15801730290785 0.05740570503555 32.065 > 1 4 S 0.14245485756824 0.15801730290785 0.55740570503555 32.065 > 1 5 S 0.47578819090157 0.15801730290785 0.55740570503555 32.065 > 1 6 S 0.80912152423491 0.15801730290785 0.55740570503555 32.065 > 1 7 S 0.19087847576509 0.65801730290785 0.19259429496445 32.065 > 7 8 S 0.52421180909843 0.65801730290785 0.19259429496445 32.065 > 7 9 S 0.85754514243176 0.65801730290785 0.19259429496445 32.065 > 7 10 S 0.19087847576509 0.65801730290785 0.69259429496445 32.065 > 7 11 S 0.52421180909843 0.65801730290785 0.69259429496445 32.065 > 7 12 S 0.85754514243176 0.65801730290785 0.69259429496445 32.065 > 7 13 S 0.19087847576509 0.84198269709215 0.44259429496445 32.065 > 13 14 S 0.52421180909843 0.84198269709215 0.44259429496445 32.065 > 13 15 S 0.85754514243176 0.84198269709215 0.44259429496445 32.065 > 13 16 S 0.19087847576509 0.84198269709215 0.94259429496445 32.065 > 13 17 S 0.52421180909843 0.84198269709215 0.94259429496445 32.065 > 13 18 S 0.85754514243176 0.84198269709215 0.94259429496445 32.065 > 13 19 S 0.14245485756824 0.34198269709215 0.30740570503555 32.065 > 19 20 S 0.47578819090157 0.34198269709215 0.30740570503555 32.065 > 19 21 S 0.80912152423491 0.34198269709215 0.30740570503555 32.065 > 19 22 S 0.14245485756824 0.34198269709215 0.80740570503555 32.065 > 19 23 S 0.47578819090157 0.34198269709215 0.80740570503555 32.065 > 19 24 S 0.80912152423491 0.34198269709215 0.80740570503555 32.065 > 19 25 S 0.29267017911984 0.37557206958743 0.11550772981781 32.065 > 25 26 S 0.62600351245317 0.37557206958743 0.11550772981781 32.065 > 25 27 S 0.95933684578651 0.37557206958743 0.11550772981781 32.065 > 25 28 S 0.29267017911984 0.37557206958743 0.61550772981781 32.065 > 25 29 S 0.62600351245317 0.37557206958743 0.61550772981781 32.065 > 25 30 S 0.95933684578651 0.37557206958743 0.61550772981781 32.065 > 25 31 S 0.29267017911984 0.12442793041257 0.36550772981781 32.065 > 31 32 S 0.62600351245317 0.12442793041257 0.36550772981781 32.065 > 31 33 S 0.95933684578651 0.12442793041257 0.36550772981781 32.065 > 31 34 S 0.29267017911984 0.12442793041257 0.86550772981781 32.065 > 31 35 S 0.62600351245317 0.12442793041257 0.86550772981781 32.065 > 31 36 S 0.95933684578651 0.12442793041257 0.86550772981781 32.065 > 31 37 S 0.04066315421349 0.62442793041257 0.38449227018219 32.065 > 37 38 S 0.37399648754682 0.62442793041257 0.38449227018219 32.065 > 37 39 S 0.70732982088016 0.62442793041257 0.38449227018219 32.065 > 37 40 S 0.04066315421349 0.62442793041257 0.88449227018219 32.065 > 37 41 S 0.37399648754682 0.62442793041257 0.88449227018219 32.065 > 37 42 S 0.70732982088016 0.62442793041257 0.88449227018219 32.065 > 37 43 S 0.04066315421349 0.87557206958743 0.13449227018219 32.065 > 43 44 S 0.37399648754682 0.87557206958743 0.13449227018219 32.065 > 43 45 S 0.70732982088016 0.87557206958743 0.13449227018219 32.065 > 43 46 S 0.04066315421349 0.87557206958743 0.63449227018219 32.065 > 43 47 S 0.37399648754682 0.87557206958743 0.63449227018219 32.065 > 43 48 S 0.70732982088016 0.87557206958743 0.63449227018219 32.065 > 43 49 Sn 0.15140945872024 0.13182566823418 0.35087346851186 118.710 > 49 50 Sn 0.48474279205357 0.13182566823418 0.35087346851186 118.710 > 49 51 Sn 0.81807612538691 0.13182566823418 0.35087346851186 118.710 > 49 52 Sn 0.15140945872024 0.13182566823418 0.85087346851186 118.710 > 49 53 Sn 0.48474279205357 0.13182566823418 0.85087346851186 118.710 > 49 54 Sn 0.81807612538691 0.13182566823418 0.85087346851186 118.710 > 49 55 Sn 0.18192387461309 0.86817433176582 0.14912653148814 118.710 > 55 56 Sn 0.51525720794642 0.86817433176582 0.14912653148814 118.710 > 55 57 Sn 0.84859054127976 0.86817433176582 0.14912653148814 118.710 > 55 58 Sn 0.18192387461309 0.86817433176582 0.64912653148814 118.710 > 55 59 Sn 0.51525720794642 0.86817433176582 0.64912653148814 118.710 > 55 60 Sn 0.84859054127976 0.86817433176582 0.64912653148814 118.710 > 55 61 Sn 0.18192387461309 0.63182566823418 0.39912653148814 118.710 > 61 62 Sn 0.51525720794642 0.63182566823418 0.39912653148814 118.710 > 61 63 Sn 0.84859054127976 0.63182566823418 0.39912653148814 118.710 > 61 64 Sn 0.18192387461309 0.63182566823418 0.89912653148814 118.710 > 61 65 Sn 0.51525720794642 0.63182566823418 0.89912653148814 118.710 > 61 66 Sn 0.84859054127976 0.63182566823418 0.89912653148814 118.710 > 61 67 Sn 0.15140945872024 0.36817433176582 0.10087346851186 118.710 > 67 68 Sn 0.48474279205357 0.36817433176582 0.10087346851186 118.710 > 67 69 Sn 0.81807612538691 0.36817433176582 0.10087346851186 118.710 > 67 70 Sn 0.15140945872024 0.36817433176582 0.60087346851186 118.710 > 67 71 Sn 0.48474279205357 0.36817433176582 0.60087346851186 118.710 > 67 72 Sn 0.81807612538691 0.36817433176582 0.60087346851186 118.710 > 67 73 Ba 0.31315203422383 0.11975744649269 0.11942221150663 137.327 > 73 74 Ba 0.64648536755717 0.11975744649269 0.11942221150663 137.327 > 73 75 Ba 0.97981870089050 0.11975744649269 0.11942221150663 137.327 > 73 76 Ba 0.31315203422383 0.11975744649269 0.61942221150663 137.327 > 73 77 Ba 0.64648536755717 0.11975744649269 0.61942221150663 137.327 > 73 78 Ba 0.97981870089050 0.11975744649269 0.61942221150663 137.327 > 73 79 Ba 0.02018129910950 0.61975744649269 0.13057778849337 137.327 > 79 80 Ba 0.35351463244283 0.61975744649269 0.13057778849337 137.327 > 79 81 Ba 0.68684796577617 0.61975744649269 0.13057778849337 137.327 > 79 82 Ba 0.02018129910950 0.61975744649269 0.63057778849337 137.327 > 79 83 Ba 0.35351463244283 0.61975744649269 0.63057778849337 137.327 > 79 84 Ba 0.68684796577617 0.61975744649269 0.63057778849337 137.327 > 79 85 Ba 0.02018129910950 0.88024255350731 0.38057778849337 137.327 > 85 86 Ba 0.35351463244283 0.88024255350731 0.38057778849337 137.327 > 85 87 Ba 0.68684796577617 0.88024255350731 0.38057778849337 137.327 > 85 88 Ba 0.02018129910950 0.88024255350731 0.88057778849337 137.327 > 85 89 Ba 0.35351463244283 0.88024255350731 0.88057778849337 137.327 > 85 90 Ba 0.68684796577617 0.88024255350731 0.88057778849337 137.327 > 85 91 Ba 0.31315203422383 0.38024255350731 0.36942221150663 137.327 > 91 92 Ba 0.64648536755717 0.38024255350731 0.36942221150663 137.327 > 91 93 Ba 0.97981870089050 0.38024255350731 0.36942221150663 137.327 > 91 94 Ba 0.31315203422383 0.38024255350731 0.86942221150663 137.327 > 91 95 Ba 0.64648536755717 0.38024255350731 0.86942221150663 137.327 > 91 96 Ba 0.97981870089050 0.38024255350731 0.86942221150663 137.327 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4128463 0.0000000 -0.2125440 0.0000000 7.6157737 0.0000000 -0.2125422 0.0000000 8.3655127 -------------------------- Born effective charges -------------------------- 1 S -2.3081394 -0.0224103 0.2783565 0.1694213 -2.7982814 -0.5961295 0.2955023 -0.8421082 -3.3358276 2 S -2.3081394 0.0224103 0.2783565 -0.1694213 -2.7982814 0.5961295 0.2955023 0.8421082 -3.3358276 3 S -2.3081394 -0.0224103 0.2783565 0.1694213 -2.7982814 -0.5961295 0.2955023 -0.8421082 -3.3358276 4 S -2.3081394 0.0224103 0.2783565 -0.1694213 -2.7982814 0.5961295 0.2955023 0.8421082 -3.3358276 5 S -3.0038410 -0.0477013 -0.0736176 -0.2313758 -2.1682462 -0.0099814 -0.0213943 -0.0733394 -2.0877378 6 S -3.0038410 0.0477013 -0.0736176 0.2313758 -2.1682462 0.0099814 -0.0213943 0.0733394 -2.0877378 7 S -3.0038410 -0.0477013 -0.0736176 -0.2313758 -2.1682462 -0.0099814 -0.0213943 -0.0733394 -2.0877378 8 S -3.0038410 0.0477013 -0.0736176 0.2313758 -2.1682462 0.0099814 -0.0213943 0.0733394 -2.0877378 9 Sn 2.6242694 -0.2555864 -0.2784891 -0.5974818 2.1164316 0.0053479 -0.3995659 -0.6646315 2.6417943 10 Sn 2.6242694 -0.2555864 -0.2784891 -0.5974818 2.1164316 0.0053479 -0.3995659 -0.6646315 2.6417943 11 Sn 2.6242694 0.2555864 -0.2784891 0.5974818 2.1164316 -0.0053479 -0.3995659 0.6646315 2.6417943 12 Sn 2.6242694 0.2555864 -0.2784891 0.5974818 2.1164316 -0.0053479 -0.3995659 0.6646315 2.6417943 13 Ba 2.6877110 -0.3425895 0.0737503 0.0178274 2.8500960 -0.0940663 0.1254578 -0.1900902 2.7817712 14 Ba 2.6877110 0.3425895 0.0737503 -0.0178274 2.8500960 0.0940663 0.1254578 0.1900902 2.7817712 15 Ba 2.6877110 -0.3425895 0.0737503 0.0178274 2.8500960 -0.0940663 0.1254578 -0.1900902 2.7817712 16 Ba 2.6877110 0.3425895 0.0737503 -0.0178274 2.8500960 0.0940663 0.1254578 0.1900902 2.7817712 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 8 ] 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: 0.54, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.764 ( 0.000 0.000 0.000) 0.000 0.860 ( 0.000 0.000 0.000) 0.000 0.918 ( 0.000 0.000 0.000) 0.000 1.065 ( 0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 15.944 0.000 -2.520) 16.142 0.332 ( 16.071 0.000 -1.845) 16.176 0.781 ( 35.777 0.000 -0.722) 35.784 0.870 ( 7.565 0.000 -0.228) 7.568 0.997 ( 10.541 0.000 3.461) 11.094 1.017 ( 6.701 0.000 6.958) 9.660 1.176 ( 10.860 0.000 -7.934) 13.450 1.461 ( 7.734 0.000 6.906) 10.369 1.681 ( 5.103 0.000 0.860) 5.175 1.745 ( 8.041 0.000 -4.418) 9.174 1.848 ( -0.773 0.000 2.570) 2.684 2.038 ( 3.652 0.000 -5.597) 6.683 2.044 ( -5.796 0.000 5.874) 8.252 2.094 ( 4.140 0.000 4.161) 5.870 2.153 ( 1.361 0.000 -0.975) 1.674 2.186 ( -1.060 0.000 0.465) 1.157 2.411 ( 2.479 0.000 0.900) 2.637 2.427 ( 6.975 0.000 -0.950) 7.040 2.630 ( 0.029 0.000 0.246) 0.248 2.923 ( 0.600 0.000 -1.471) 1.588 2.963 ( 5.280 0.000 2.032) 5.657 3.121 ( 0.147 0.000 0.289) 0.324 3.144 ( 3.368 0.000 -0.427) 3.395 3.343 ( 1.596 0.000 3.700) 4.029 5.288 ( -4.645 0.000 2.684) 5.365 5.386 ( -0.347 0.000 0.909) 0.973 5.438 ( -5.653 0.000 6.201) 8.391 5.535 ( -1.639 0.000 0.360) 1.678 5.725 ( 0.799 0.000 -3.448) 3.540 5.753 ( 1.704 0.000 -1.460) 2.244 5.755 ( -1.921 0.000 1.660) 2.539 5.862 ( -0.104 0.000 0.124) 0.163 5.870 ( 0.365 0.000 2.157) 2.188 6.059 ( 2.990 0.000 -1.197) 3.220 6.156 ( -6.003 0.000 -1.890) 6.293 6.241 ( 3.132 0.000 -4.766) 5.703 6.361 ( 0.314 0.000 -0.787) 0.848 6.539 ( 0.737 0.000 -0.419) 0.847 6.575 ( 4.062 0.000 -0.171) 4.066 6.697 ( 10.591 0.000 -0.973) 10.636 6.774 ( 1.424 0.000 0.904) 1.686 6.859 ( 2.274 0.000 -0.600) 2.352 7.090 ( -0.505 0.000 1.172) 1.276 7.183 ( 1.761 0.000 -2.783) 3.293 7.466 ( 14.968 0.000 0.340) 14.972 7.608 ( 12.695 0.000 1.988) 12.849 8.206 ( 2.011 0.000 -1.102) 2.293 8.587 ( -1.648 0.000 -20.767) 20.833 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 14.060 0.000 -3.207) 14.421 0.642 ( 13.945 0.000 -2.718) 14.208 1.006 ( 5.232 0.000 1.045) 5.336 1.111 ( 3.259 0.000 7.743) 8.401 1.206 ( 7.060 0.000 5.188) 8.762 1.394 ( 11.576 0.000 -10.534) 15.651 1.505 ( 29.112 0.000 1.054) 29.131 1.655 ( 8.304 0.000 7.445) 11.153 1.801 ( 2.948 0.000 2.960) 4.178 1.848 ( 2.928 0.000 -0.065) 2.928 1.914 ( 6.554 0.000 -4.204) 7.787 1.995 ( -0.983 0.000 4.604) 4.708 2.079 ( 1.624 0.000 -1.567) 2.257 2.193 ( 1.662 0.000 1.220) 2.061 2.225 ( 10.123 0.000 -5.333) 11.442 2.299 ( 10.812 0.000 3.709) 11.431 2.475 ( 0.108 0.000 -1.237) 1.241 2.492 ( 4.544 0.000 1.720) 4.858 2.723 ( 5.803 0.000 0.692) 5.844 2.929 ( 0.364 0.000 -2.056) 2.088 3.075 ( 6.135 0.000 0.429) 6.150 3.105 ( -1.181 0.000 -0.775) 1.413 3.239 ( 4.958 0.000 0.033) 4.958 3.415 ( 4.329 0.000 1.565) 4.603 5.180 ( -5.902 0.000 2.731) 6.503 5.324 ( -6.051 0.000 3.986) 7.246 5.358 ( -2.366 0.000 0.920) 2.538 5.480 ( -3.284 0.000 0.304) 3.298 5.735 ( 1.195 0.000 -3.758) 3.943 5.742 ( 0.629 0.000 1.937) 2.037 5.786 ( 1.438 0.000 -1.598) 2.149 5.853 ( -0.852 0.000 0.664) 1.081 5.895 ( 1.198 0.000 2.000) 2.331 6.039 ( -5.272 0.000 0.985) 5.363 6.113 ( 1.701 0.000 -1.145) 2.050 6.280 ( 1.519 0.000 -5.569) 5.772 6.353 ( -0.834 0.000 -0.599) 1.026 6.543 ( -0.001 0.000 0.222) 0.222 6.603 ( 0.770 0.000 -1.772) 1.932 6.850 ( 4.447 0.000 2.833) 5.272 6.899 ( 1.918 0.000 -1.028) 2.176 6.941 ( 9.803 0.000 0.351) 9.809 7.066 ( -1.942 0.000 -1.166) 2.266 7.207 ( 0.802 0.000 -3.911) 3.992 7.867 ( 21.284 0.000 0.369) 21.287 7.941 ( 17.518 0.000 0.496) 17.525 8.290 ( 6.460 0.000 -1.360) 6.601 8.513 ( -0.955 0.000 -10.112) 10.157 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 8.032 0.000 -2.387) 8.379 0.876 ( 8.765 0.000 -3.705) 9.516 1.108 ( 5.272 0.000 -0.117) 5.273 1.147 ( -0.893 0.000 6.923) 6.980 1.290 ( -0.170 0.000 4.909) 4.912 1.574 ( 7.469 0.000 -8.027) 10.964 1.799 ( -0.933 0.000 3.351) 3.478 1.810 ( 5.085 0.000 3.847) 6.377 1.926 ( 3.721 0.000 4.270) 5.664 1.950 ( 8.237 0.000 -3.899) 9.113 1.955 ( -0.100 0.000 -2.801) 2.803 2.057 ( 7.424 0.000 0.389) 7.435 2.170 ( 5.732 0.000 1.780) 6.002 2.245 ( 2.728 0.000 2.034) 3.403 2.416 ( 7.795 0.000 -5.317) 9.436 2.473 ( 0.147 0.000 0.587) 0.605 2.504 ( 5.254 0.000 5.127) 7.341 2.600 ( 5.929 0.000 -0.876) 5.993 2.816 ( 3.279 0.000 0.675) 3.348 2.933 ( 0.614 0.000 -1.537) 1.655 3.080 ( -0.744 0.000 -0.366) 0.829 3.219 ( 6.438 0.000 -0.042) 6.438 3.326 ( 3.088 0.000 -0.258) 3.099 3.504 ( 3.503 0.000 0.312) 3.517 5.077 ( -4.100 0.000 1.535) 4.378 5.219 ( -4.451 0.000 2.223) 4.976 5.311 ( -1.919 0.000 0.325) 1.946 5.420 ( -2.236 0.000 0.207) 2.245 5.757 ( 1.756 0.000 -4.691) 5.009 5.782 ( 2.229 0.000 1.642) 2.769 5.798 ( 0.007 0.000 -0.347) 0.347 5.837 ( -0.695 0.000 1.337) 1.507 5.915 ( 0.173 0.000 0.700) 0.721 5.947 ( -3.757 0.000 1.886) 4.204 6.118 ( -0.552 0.000 -0.822) 0.990 6.283 ( 0.054 0.000 -3.223) 3.224 6.331 ( -0.915 0.000 -0.488) 1.037 6.540 ( -0.419 0.000 0.494) 0.647 6.610 ( 0.250 0.000 -1.222) 1.247 6.929 ( 1.334 0.000 -0.408) 1.395 6.957 ( 4.734 0.000 3.700) 6.008 6.998 ( -2.528 0.000 -0.464) 2.571 7.097 ( 4.175 0.000 -0.761) 4.244 7.180 ( -2.395 0.000 -4.553) 5.144 8.245 ( 13.232 0.000 0.031) 13.232 8.270 ( 12.857 0.000 -0.130) 12.858 8.432 ( 6.049 0.000 -1.086) 6.145 8.517 ( 2.569 0.000 -4.183) 4.909 ======================= Grid point 4 (5/102) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 0.000 0.000) 0.000 0.965 ( -0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 -0.000) 0.000 1.217 ( 0.000 0.000 -0.000) 0.000 1.243 ( -0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 -0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 1.965 ( -0.000 0.000 -0.000) 0.000 2.004 ( 0.000 0.000 0.000) 0.000 2.205 ( -0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 -0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 -0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 -0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.834 ( -0.000 0.000 -0.000) 0.000 5.905 ( 0.000 0.000 -0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 -0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.943 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.040 ( -0.000 0.000 -0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.418 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/102) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 0.000 14.993 0.000) 14.993 0.357 ( 0.000 16.781 0.000) 16.781 0.634 ( 0.000 16.509 0.000) 16.509 0.866 ( 0.000 0.638 0.000) 0.638 0.887 ( 0.000 0.984 0.000) 0.984 0.915 ( 0.000 1.832 0.000) 1.832 0.976 ( 0.000 -4.860 0.000) 4.860 1.355 ( 0.000 -1.255 0.000) 1.255 1.712 ( 0.000 4.808 0.000) 4.808 1.739 ( 0.000 8.475 0.000) 8.475 1.831 ( 0.000 -0.490 0.000) 0.490 2.007 ( 0.000 -0.866 0.000) 0.866 2.036 ( 0.000 -1.152 0.000) 1.152 2.097 ( 0.000 -3.331 0.000) 3.331 2.156 ( 0.000 -2.410 0.000) 2.410 2.159 ( 0.000 -2.484 0.000) 2.484 2.320 ( 0.000 4.583 0.000) 4.583 2.528 ( 0.000 -3.204 0.000) 3.204 2.557 ( 0.000 4.330 0.000) 4.330 2.929 ( 0.000 4.652 0.000) 4.652 2.959 ( 0.000 -11.489 0.000) 11.489 2.985 ( 0.000 4.715 0.000) 4.715 3.100 ( 0.000 -2.525 0.000) 2.525 3.257 ( 0.000 -4.233 0.000) 4.233 5.355 ( 0.000 1.617 0.000) 1.617 5.443 ( 0.000 -1.769 0.000) 1.769 5.447 ( 0.000 1.175 0.000) 1.175 5.528 ( 0.000 -1.768 0.000) 1.768 5.727 ( 0.000 1.178 0.000) 1.178 5.776 ( 0.000 0.846 0.000) 0.846 5.865 ( 0.000 2.102 0.000) 2.102 5.869 ( 0.000 0.085 0.000) 0.085 5.872 ( 0.000 3.085 0.000) 3.085 6.148 ( 0.000 -3.977 0.000) 3.977 6.244 ( 0.000 2.165 0.000) 2.165 6.287 ( 0.000 0.017 0.000) 0.017 6.311 ( 0.000 0.085 0.000) 0.085 6.325 ( 0.000 0.070 0.000) 0.070 6.432 ( 0.000 -0.194 0.000) 0.194 6.561 ( 0.000 -5.924 0.000) 5.924 6.800 ( 0.000 0.722 0.000) 0.722 6.818 ( 0.000 0.617 0.000) 0.617 7.179 ( 0.000 1.283 0.000) 1.283 7.219 ( 0.000 -0.101 0.000) 0.101 7.294 ( 0.000 -0.758 0.000) 0.758 7.308 ( 0.000 -1.086 0.000) 1.086 8.171 ( 0.000 0.567 0.000) 0.567 8.190 ( 0.000 -0.151 0.000) 0.151 ======================= Grid point 10 (7/102) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 11.073 10.872 -0.750) 15.536 0.629 ( 12.159 14.791 1.122) 19.180 0.828 ( 14.615 0.740 -0.811) 14.656 0.930 ( 6.215 2.473 1.066) 6.773 0.997 ( 7.104 -1.176 7.316) 10.265 1.024 ( 14.912 1.518 -1.346) 15.049 1.142 ( 15.202 2.740 -2.966) 15.729 1.443 ( 6.266 -1.322 5.219) 8.261 1.764 ( 4.723 4.971 0.055) 6.857 1.786 ( 3.774 3.328 -3.558) 6.163 1.848 ( 2.520 1.541 1.931) 3.529 1.918 ( -3.852 -4.085 -1.585) 5.834 2.038 ( 4.028 -2.118 -4.902) 6.689 2.099 ( -1.017 -2.854 -0.353) 3.050 2.166 ( 2.967 1.760 4.902) 5.994 2.206 ( 2.200 0.336 1.349) 2.602 2.413 ( 4.124 0.426 -0.385) 4.164 2.495 ( -0.869 5.816 -0.715) 5.924 2.560 ( 3.903 -3.735 -1.328) 5.563 2.957 ( 0.394 1.964 -2.185) 2.964 2.986 ( 3.665 -10.816 1.311) 11.495 3.028 ( 3.417 4.639 3.310) 6.645 3.101 ( 0.220 -1.890 -1.353) 2.335 3.311 ( 3.543 -3.946 2.212) 5.746 5.281 ( -5.385 0.778 0.887) 5.513 5.367 ( -4.762 -1.829 -0.441) 5.120 5.442 ( -2.119 0.876 2.586) 3.456 5.516 ( -1.667 -1.748 0.717) 2.519 5.745 ( 1.321 1.272 0.326) 1.863 5.771 ( -0.806 1.479 2.214) 2.782 5.826 ( -1.609 3.841 0.526) 4.198 5.857 ( -0.712 -0.214 1.502) 1.676 5.878 ( 0.323 1.764 -1.022) 2.065 6.093 ( -2.933 -2.253 0.457) 3.726 6.138 ( -1.769 2.549 -4.461) 5.434 6.245 ( 1.736 -0.230 -3.789) 4.175 6.372 ( 1.014 1.240 -1.570) 2.243 6.504 ( 6.199 -1.135 -0.482) 6.320 6.554 ( 1.839 -2.532 0.784) 3.226 6.605 ( 10.047 -6.195 0.648) 11.821 6.803 ( 1.807 1.736 0.360) 2.532 6.848 ( 2.103 -0.530 -0.108) 2.172 7.166 ( -0.897 3.631 -0.007) 3.740 7.205 ( 1.284 1.561 -2.156) 2.956 7.464 ( 15.660 0.289 0.108) 15.663 7.564 ( 16.417 -3.463 0.192) 16.780 8.209 ( 2.331 0.330 -1.285) 2.682 8.342 ( 8.907 -10.615 -7.688) 15.847 ======================= Grid point 11 (8/102) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 11.594 6.367 -1.861) 13.357 0.837 ( 9.093 12.256 -1.325) 15.319 1.026 ( 3.101 -1.637 0.995) 3.645 1.036 ( 7.074 -2.633 2.000) 7.809 1.197 ( 8.299 0.191 6.979) 10.846 1.372 ( 12.685 -3.904 -2.552) 13.515 1.527 ( 15.991 1.791 0.353) 16.095 1.594 ( 9.869 -3.294 4.262) 11.243 1.807 ( 2.382 -1.573 0.333) 2.874 1.853 ( -0.355 0.881 -0.892) 1.303 1.885 ( 6.405 3.339 0.649) 7.252 2.068 ( 8.298 3.982 -1.299) 9.295 2.106 ( 3.939 -3.047 -1.197) 5.122 2.156 ( 4.373 0.336 0.275) 4.395 2.229 ( 6.881 1.012 -2.799) 7.497 2.305 ( 6.877 -0.660 3.581) 7.782 2.469 ( 2.972 1.810 -0.103) 3.481 2.528 ( 4.075 1.824 0.611) 4.506 2.695 ( 6.448 -1.129 0.270) 6.552 2.954 ( 0.170 1.450 -3.054) 3.385 3.071 ( 1.830 -5.334 -0.703) 5.683 3.079 ( 2.061 -7.794 2.911) 8.571 3.148 ( 5.478 4.612 -0.636) 7.189 3.402 ( 4.723 -2.993 1.009) 5.682 5.171 ( -5.412 -0.197 2.213) 5.850 5.259 ( -5.279 -3.754 0.953) 6.548 5.386 ( -3.420 1.419 1.184) 3.887 5.462 ( -3.265 -1.689 0.758) 3.753 5.758 ( -0.103 1.597 2.455) 2.931 5.776 ( 1.282 2.602 -0.937) 3.048 5.818 ( 0.069 2.459 -1.134) 2.709 5.847 ( -0.422 -0.472 0.933) 1.127 5.893 ( 0.947 0.051 1.157) 1.496 6.006 ( -4.215 -2.848 0.100) 5.088 6.154 ( 1.530 3.376 -1.961) 4.193 6.274 ( 1.392 -0.898 -4.844) 5.119 6.372 ( -0.629 2.042 -0.575) 2.213 6.550 ( 0.335 -3.689 -0.279) 3.715 6.598 ( 1.995 3.456 0.064) 3.991 6.799 ( 7.251 -4.232 1.644) 8.555 6.884 ( 2.577 -0.457 0.037) 2.617 6.913 ( 6.199 -2.147 -0.436) 6.574 7.128 ( -2.826 4.412 -1.632) 5.487 7.221 ( 0.196 0.508 -3.224) 3.269 7.872 ( 21.384 0.803 -0.167) 21.399 7.936 ( 18.554 -0.792 -0.071) 18.571 8.296 ( 6.361 0.696 -1.587) 6.593 8.431 ( 3.168 -5.998 -6.880) 9.662 ======================= Grid point 12 (9/102) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 6.374 2.897 -1.598) 7.182 0.988 ( 4.152 6.743 -2.989) 8.465 1.078 ( 3.185 -4.022 2.904) 5.896 1.149 ( 3.337 0.559 1.197) 3.589 1.322 ( 2.114 4.834 5.024) 7.286 1.562 ( 7.072 -1.465 -4.238) 8.374 1.701 ( 4.979 -6.543 4.430) 9.339 1.745 ( 2.787 -8.650 0.544) 9.104 1.849 ( 0.180 1.447 0.464) 1.530 1.934 ( 4.926 -1.493 -2.760) 5.840 2.043 ( 7.396 2.626 0.694) 7.879 2.096 ( -1.714 2.211 0.068) 2.799 2.191 ( 4.704 0.663 0.330) 4.762 2.248 ( 2.050 1.877 2.526) 3.756 2.423 ( 10.620 1.394 -3.667) 11.321 2.502 ( 8.212 0.214 0.587) 8.236 2.533 ( 2.072 3.734 2.114) 4.765 2.638 ( 5.434 3.243 0.739) 6.371 2.787 ( 2.525 -1.692 0.511) 3.082 2.954 ( 0.582 1.448 -1.962) 2.507 3.062 ( -0.265 -1.687 -0.145) 1.714 3.162 ( 3.019 -12.347 0.366) 12.716 3.269 ( 5.482 4.491 -0.103) 7.088 3.496 ( 3.809 -2.529 0.091) 4.573 5.078 ( -3.681 0.286 1.425) 3.958 5.166 ( -3.689 -3.832 1.092) 5.430 5.324 ( -2.298 1.186 0.194) 2.593 5.403 ( -2.248 -1.652 0.520) 2.838 5.763 ( 0.294 0.757 -0.644) 1.036 5.804 ( -0.798 -0.199 0.017) 0.823 5.814 ( 2.095 2.659 -0.276) 3.396 5.849 ( 0.187 1.167 0.737) 1.393 5.910 ( 0.331 -0.385 0.776) 0.928 5.935 ( -2.591 -1.033 0.983) 2.958 6.162 ( -0.179 3.643 -1.122) 3.816 6.276 ( -0.069 -0.840 -2.897) 3.017 6.350 ( -1.078 2.168 -0.306) 2.441 6.551 ( -0.089 -5.007 -0.103) 5.009 6.627 ( 0.836 7.291 0.171) 7.341 6.922 ( 1.809 -0.862 1.126) 2.299 6.933 ( 4.827 -1.661 2.496) 5.682 7.022 ( 3.756 -4.968 -1.964) 6.531 7.053 ( -3.298 3.741 -1.536) 5.218 7.183 ( -2.904 -0.841 -3.398) 4.549 8.253 ( 13.779 0.889 -0.263) 13.811 8.278 ( 13.167 0.439 -0.096) 13.175 8.430 ( 5.544 -0.070 -1.233) 5.680 8.486 ( 3.361 -2.494 -3.454) 5.426 ======================= Grid point 13 (10/102) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 1.466 0.000) 1.466 0.986 ( 0.000 1.264 0.000) 1.264 1.153 ( -0.000 0.802 0.000) 0.802 1.178 ( 0.000 -2.558 0.000) 2.558 1.337 ( 0.000 8.499 0.000) 8.499 1.634 ( 0.000 -1.068 0.000) 1.068 1.757 ( 0.000 -7.885 0.000) 7.885 1.778 ( 0.000 -3.402 -0.000) 3.402 1.859 ( 0.000 -1.491 0.000) 1.491 1.974 ( 0.000 -1.609 0.000) 1.609 2.077 ( 0.000 1.853 0.000) 1.853 2.139 ( 0.000 -3.473 0.000) 3.473 2.188 ( 0.000 2.388 0.000) 2.388 2.309 ( 0.000 1.611 0.000) 1.611 2.546 ( 0.000 5.131 -0.000) 5.131 2.557 ( 0.000 0.767 0.000) 0.767 2.580 ( 0.000 4.105 0.000) 4.105 2.707 ( 0.000 4.586 0.000) 4.586 2.811 ( 0.000 -3.858 0.000) 3.858 2.963 ( 0.000 1.429 0.000) 1.429 3.063 ( 0.000 -1.177 0.000) 1.177 3.192 ( 0.000 -12.862 0.000) 12.862 3.334 ( 0.000 4.031 0.000) 4.031 3.539 ( 0.000 -2.222 0.000) 2.222 5.039 ( 0.000 0.571 0.000) 0.571 5.126 ( 0.000 -3.504 0.000) 3.504 5.300 ( 0.000 1.059 0.000) 1.059 5.380 ( 0.000 -1.639 0.000) 1.639 5.766 ( 0.000 0.035 0.000) 0.035 5.793 ( 0.000 -0.450 -0.000) 0.450 5.846 ( 0.000 1.971 -0.000) 1.971 5.851 ( -0.000 1.396 0.000) 1.396 5.908 ( 0.000 0.136 -0.000) 0.136 5.912 ( 0.000 -0.118 0.000) 0.118 6.156 ( 0.000 3.927 0.000) 3.927 6.269 ( 0.000 -0.869 0.000) 0.869 6.337 ( 0.000 2.086 0.000) 2.086 6.550 ( 0.000 -5.500 -0.000) 5.500 6.636 ( 0.000 8.957 0.000) 8.957 6.938 ( 0.000 0.185 0.000) 0.185 7.011 ( 0.000 3.136 0.000) 3.136 7.018 ( -0.000 -1.819 -0.000) 1.819 7.053 ( 0.000 -6.111 0.000) 6.111 7.125 ( 0.000 -1.361 0.000) 1.361 8.399 ( 0.000 1.776 0.000) 1.776 8.432 ( 0.000 1.295 0.000) 1.295 8.480 ( 0.000 -1.178 0.000) 1.178 8.525 ( 0.000 -2.402 0.000) 2.402 ======================= Grid point 18 (11/102) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 -10.386 0.000) 10.386 0.596 ( 0.000 10.386 0.000) 10.386 0.681 ( 0.000 -14.230 0.000) 14.230 0.681 ( 0.000 14.230 0.000) 14.230 0.892 ( 0.000 -1.977 0.000) 1.977 0.892 ( 0.000 1.977 0.000) 1.977 1.240 ( 0.000 -11.982 0.000) 11.982 1.240 ( 0.000 11.982 0.000) 11.982 1.793 ( 0.000 -3.210 0.000) 3.210 1.793 ( 0.000 3.210 0.000) 3.210 1.930 ( 0.000 -7.026 0.000) 7.026 1.930 ( 0.000 7.026 0.000) 7.026 2.054 ( 0.000 -2.881 0.000) 2.881 2.054 ( 0.000 2.881 0.000) 2.881 2.106 ( 0.000 -0.867 0.000) 0.867 2.106 ( 0.000 0.867 0.000) 0.867 2.435 ( 0.000 -5.584 0.000) 5.584 2.435 ( 0.000 5.584 0.000) 5.584 2.709 ( 0.000 -10.718 0.000) 10.718 2.709 ( 0.000 10.718 0.000) 10.718 3.028 ( 0.000 -4.344 0.000) 4.344 3.028 ( 0.000 4.344 0.000) 4.344 3.123 ( 0.000 -7.817 0.000) 7.817 3.123 ( 0.000 7.817 0.000) 7.817 5.398 ( 0.000 -2.343 0.000) 2.343 5.398 ( 0.000 2.343 0.000) 2.343 5.484 ( 0.000 -2.251 0.000) 2.251 5.484 ( 0.000 2.251 0.000) 2.251 5.757 ( 0.000 -1.601 0.000) 1.601 5.757 ( 0.000 1.601 0.000) 1.601 5.871 ( 0.000 -0.025 0.000) 0.025 5.871 ( 0.000 0.025 0.000) 0.025 6.023 ( 0.000 -7.905 0.000) 7.905 6.023 ( 0.000 7.905 0.000) 7.905 6.280 ( 0.000 -0.982 0.000) 0.982 6.280 ( 0.000 0.982 0.000) 0.982 6.319 ( 0.000 -0.659 0.000) 0.659 6.319 ( 0.000 0.659 0.000) 0.659 6.457 ( 0.000 -3.215 0.000) 3.215 6.457 ( 0.000 3.215 0.000) 3.215 6.816 ( 0.000 -0.676 0.000) 0.676 6.816 ( 0.000 0.676 0.000) 0.676 7.207 ( 0.000 -1.173 0.000) 1.173 7.207 ( 0.000 1.173 0.000) 1.173 7.289 ( 0.000 -0.480 0.000) 0.480 7.289 ( 0.000 0.480 0.000) 0.480 8.183 ( 0.000 -0.513 0.000) 0.513 8.183 ( 0.000 0.513 0.000) 0.513 ======================= Grid point 20 (12/102) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 7.231 -9.781 1.714) 12.284 0.696 ( 7.231 9.781 1.714) 12.284 0.873 ( 13.072 -8.337 -1.066) 15.541 0.873 ( 13.072 8.337 -1.066) 15.541 0.983 ( 8.517 -1.764 2.884) 9.164 0.983 ( 8.517 1.764 2.884) 9.164 1.362 ( 10.359 -8.631 2.264) 13.672 1.362 ( 10.359 8.631 2.264) 13.672 1.835 ( 2.156 -0.548 -3.171) 3.873 1.835 ( 2.156 0.548 -3.171) 3.873 1.864 ( -0.760 -2.041 -1.125) 2.451 1.864 ( -0.760 2.041 -1.125) 2.451 2.038 ( 1.244 -3.226 -1.589) 3.805 2.038 ( 1.244 3.226 -1.589) 3.805 2.192 ( 4.363 -1.342 3.055) 5.493 2.192 ( 4.363 1.342 3.055) 5.493 2.457 ( 1.817 -3.785 -0.784) 4.271 2.457 ( 1.817 3.785 -0.784) 4.271 2.709 ( 1.975 -12.641 -0.942) 12.829 2.709 ( 1.975 12.641 -0.942) 12.829 3.029 ( -0.099 -3.567 0.281) 3.579 3.029 ( -0.099 3.567 0.281) 3.579 3.183 ( 4.450 -7.561 1.346) 8.875 3.183 ( 4.450 7.561 1.346) 8.875 5.320 ( -6.099 -2.489 -0.200) 6.590 5.320 ( -6.099 2.489 -0.200) 6.590 5.474 ( -1.525 -2.043 0.920) 2.711 5.474 ( -1.525 2.043 0.920) 2.711 5.772 ( 0.953 -1.015 1.804) 2.279 5.772 ( 0.953 1.015 1.804) 2.279 5.853 ( -1.334 -0.330 2.124) 2.530 5.853 ( -1.334 0.330 2.124) 2.530 5.989 ( -2.560 -6.439 -2.313) 7.305 5.989 ( -2.560 6.439 -2.313) 7.305 6.213 ( -0.037 -3.069 -3.137) 4.389 6.213 ( -0.037 3.069 -3.137) 4.389 6.429 ( 2.405 -4.778 -0.986) 5.439 6.429 ( 2.405 4.778 -0.986) 5.439 6.536 ( 7.968 -1.869 0.997) 8.245 6.536 ( 7.968 1.869 0.997) 8.245 6.832 ( 1.550 -1.100 0.243) 1.916 6.832 ( 1.550 1.100 0.243) 1.916 7.212 ( 0.758 -1.057 -0.963) 1.618 7.212 ( 0.758 1.057 -0.963) 1.618 7.495 ( 17.131 -2.746 -0.500) 17.357 7.495 ( 17.131 2.746 -0.500) 17.357 8.229 ( 4.248 -2.166 -2.128) 5.221 8.229 ( 4.248 2.166 -2.128) 5.221 ======================= Grid point 22 (13/102) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 7.511 -7.261 -0.044) 10.447 0.861 ( 7.511 7.261 -0.044) 10.447 1.026 ( 4.747 -3.585 -0.452) 5.965 1.026 ( 4.747 3.585 -0.452) 5.965 1.259 ( 13.123 -5.731 4.772) 15.094 1.259 ( 13.123 5.731 4.772) 15.094 1.545 ( 4.612 -1.141 2.257) 5.260 1.545 ( 4.612 1.141 2.257) 5.260 1.849 ( 3.485 -1.760 -3.702) 5.380 1.849 ( 3.485 1.760 -3.702) 5.380 1.984 ( 6.567 -6.457 0.778) 9.242 1.984 ( 6.567 6.457 0.778) 9.242 2.139 ( 9.230 -1.995 -1.797) 9.612 2.139 ( 9.230 1.995 -1.797) 9.612 2.273 ( 4.141 -2.184 1.039) 4.796 2.273 ( 4.141 2.184 1.039) 4.796 2.523 ( 4.679 -2.621 1.606) 5.599 2.523 ( 4.679 2.621 1.606) 5.599 2.792 ( 5.122 -11.056 -1.681) 12.300 2.792 ( 5.122 11.056 -1.681) 12.300 3.023 ( -0.421 -2.769 0.227) 2.810 3.023 ( -0.421 2.769 0.227) 2.810 3.287 ( 5.236 -7.288 0.599) 8.994 3.287 ( 5.236 7.288 0.599) 8.994 5.194 ( -5.612 -2.368 0.865) 6.153 5.194 ( -5.612 2.368 0.865) 6.153 5.421 ( -3.333 -2.018 0.768) 3.971 5.421 ( -3.333 2.018 0.768) 3.971 5.793 ( 0.166 -1.192 2.467) 2.745 5.793 ( 0.166 1.192 2.467) 2.745 5.843 ( 0.134 -0.627 0.982) 1.173 5.843 ( 0.134 0.627 0.982) 1.173 5.935 ( -1.796 -3.684 -1.610) 4.404 5.935 ( -1.796 3.684 -1.610) 4.404 6.230 ( 1.388 -3.367 -3.260) 4.888 6.230 ( 1.388 3.367 -3.260) 4.888 6.444 ( -0.248 -4.978 -0.148) 4.986 6.444 ( -0.248 4.978 -0.148) 4.986 6.698 ( 6.465 -5.298 0.666) 8.385 6.698 ( 6.465 5.298 0.666) 8.385 6.884 ( 3.302 -0.556 -0.044) 3.348 6.884 ( 3.302 0.556 -0.044) 3.348 7.203 ( -1.698 -2.424 -2.368) 3.790 7.203 ( -1.698 2.424 -2.368) 3.790 7.904 ( 20.602 -1.977 -0.734) 20.710 7.904 ( 20.602 1.977 -0.734) 20.710 8.331 ( 5.896 -3.128 -2.922) 7.286 8.331 ( 5.896 3.128 -2.922) 7.286 ======================= Grid point 24 (14/102) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 2.581 -4.110 -0.018) 4.853 0.968 ( 2.581 4.110 -0.018) 4.853 1.115 ( 3.831 -3.939 -0.388) 5.509 1.115 ( 3.831 3.939 -0.388) 5.509 1.474 ( 5.874 -7.682 3.525) 10.293 1.474 ( 5.874 7.682 3.525) 10.293 1.627 ( 4.424 -1.887 0.107) 4.811 1.627 ( 4.424 1.887 0.107) 4.811 1.891 ( 0.955 -2.467 -1.355) 2.972 1.891 ( 0.955 2.467 -1.355) 2.972 2.089 ( 2.691 -1.640 -0.171) 3.156 2.089 ( 2.691 1.640 -0.171) 3.156 2.246 ( 2.097 -2.585 1.599) 3.693 2.246 ( 2.097 2.585 1.599) 3.693 2.474 ( 11.334 -2.772 -2.024) 11.842 2.474 ( 11.334 2.772 -2.024) 11.842 2.629 ( 4.440 -4.497 2.435) 6.773 2.629 ( 4.440 4.497 2.435) 6.773 2.869 ( 2.104 -10.009 -1.609) 10.354 2.869 ( 2.104 10.009 -1.609) 10.354 3.022 ( 0.494 -1.458 0.486) 1.615 3.022 ( 0.494 1.458 0.486) 1.615 3.394 ( 4.506 -6.577 -0.022) 7.972 3.394 ( 4.506 6.577 -0.022) 7.972 5.100 ( -3.454 -2.135 0.882) 4.156 5.100 ( -3.454 2.135 0.882) 4.156 5.360 ( -2.290 -2.184 0.340) 3.183 5.360 ( -2.290 2.184 0.340) 3.183 5.786 ( -0.810 -1.271 0.930) 1.771 5.786 ( -0.810 1.271 0.930) 1.771 5.859 ( 0.943 -0.954 0.060) 1.343 5.859 ( 0.943 0.954 0.060) 1.343 5.911 ( -0.465 -0.929 0.145) 1.049 5.911 ( -0.465 0.929 0.145) 1.049 6.238 ( 0.039 -3.026 -1.899) 3.573 6.238 ( 0.039 3.026 -1.899) 3.573 6.430 ( -0.807 -5.536 -0.136) 5.596 6.430 ( -0.807 5.536 -0.136) 5.596 6.804 ( 3.681 -8.639 1.665) 9.537 6.804 ( 3.681 8.639 1.665) 9.537 6.949 ( 2.668 -1.928 -0.656) 3.357 6.949 ( 2.668 1.928 -0.656) 3.357 7.135 ( -3.706 -3.563 -2.577) 5.751 7.135 ( -3.706 3.563 -2.577) 5.751 8.275 ( 14.064 -0.846 -0.345) 14.093 8.275 ( 14.064 0.846 -0.345) 14.093 8.441 ( 4.392 -1.420 -2.029) 5.042 8.441 ( 4.392 1.420 -2.029) 5.042 ======================= Grid point 26 (15/102) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.000 -0.346 -0.000) 0.346 0.990 ( 0.000 0.346 -0.000) 0.346 1.159 ( 0.000 -0.185 0.000) 0.185 1.159 ( 0.000 0.185 0.000) 0.185 1.532 ( 0.000 -9.037 0.000) 9.037 1.532 ( 0.000 9.037 0.000) 9.037 1.689 ( 0.000 -2.469 -0.000) 2.469 1.689 ( 0.000 2.469 -0.000) 2.469 1.899 ( 0.000 -3.919 0.000) 3.919 1.899 ( 0.000 3.919 0.000) 3.919 2.104 ( -0.000 -1.035 0.000) 1.035 2.104 ( 0.000 1.035 0.000) 1.035 2.278 ( 0.000 -4.188 0.000) 4.188 2.278 ( 0.000 4.188 0.000) 4.188 2.586 ( 0.000 -1.306 0.000) 1.306 2.586 ( 0.000 1.306 -0.000) 1.306 2.698 ( 0.000 -7.032 0.000) 7.032 2.698 ( 0.000 7.032 0.000) 7.032 2.879 ( 0.000 -11.079 0.000) 11.079 2.879 ( 0.000 11.079 0.000) 11.079 3.034 ( 0.000 -0.884 0.000) 0.884 3.034 ( 0.000 0.884 0.000) 0.884 3.446 ( 0.000 -6.017 0.000) 6.017 3.446 ( 0.000 6.017 0.000) 6.017 5.064 ( 0.000 -2.060 0.000) 2.060 5.064 ( 0.000 2.060 0.000) 2.060 5.336 ( 0.000 -2.251 0.000) 2.251 5.336 ( 0.000 2.251 0.000) 2.251 5.777 ( 0.000 -0.880 0.000) 0.880 5.777 ( 0.000 0.880 -0.000) 0.880 5.870 ( 0.000 -0.044 0.000) 0.044 5.870 ( 0.000 0.044 0.000) 0.044 5.909 ( 0.000 -0.077 -0.000) 0.077 5.909 ( 0.000 0.077 0.000) 0.077 6.234 ( 0.000 -2.860 0.000) 2.860 6.234 ( 0.000 2.860 0.000) 2.860 6.420 ( 0.000 -5.920 0.000) 5.920 6.420 ( 0.000 5.920 -0.000) 5.920 6.850 ( 0.000 -10.273 0.000) 10.273 6.850 ( 0.000 10.273 0.000) 10.273 6.980 ( 0.000 -1.288 0.000) 1.288 6.980 ( 0.000 1.288 0.000) 1.288 7.079 ( 0.000 -3.041 0.000) 3.041 7.079 ( 0.000 3.041 0.000) 3.041 8.445 ( -0.000 -2.244 0.000) 2.244 8.445 ( 0.000 2.244 0.000) 2.244 8.470 ( 0.000 -2.467 0.000) 2.467 8.470 ( 0.000 2.467 0.000) 2.467 ======================= Grid point 45 (16/102) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 4.172 0.000 14.471) 15.061 0.315 ( -3.883 0.000 15.253) 15.740 0.737 ( -7.629 0.000 30.949) 31.875 0.815 ( -0.968 0.000 4.909) 5.004 0.935 ( 1.999 0.000 6.008) 6.332 0.958 ( 4.246 0.000 3.003) 5.201 1.220 ( -6.139 0.000 13.016) 14.391 1.366 ( 4.228 0.000 1.513) 4.491 1.615 ( 0.551 0.000 -0.662) 0.861 1.836 ( -2.734 0.000 13.135) 13.416 1.897 ( -1.239 0.000 3.236) 3.465 1.978 ( -1.677 0.000 -0.636) 1.793 2.167 ( -3.150 0.000 3.134) 4.443 2.214 ( -2.168 0.000 2.937) 3.650 2.233 ( -0.767 0.000 13.368) 13.390 2.263 ( 5.608 0.000 0.375) 5.621 2.349 ( -0.603 0.000 8.720) 8.740 2.390 ( 0.676 0.000 0.182) 0.700 2.524 ( 0.615 0.000 -4.451) 4.493 2.819 ( -0.139 0.000 -7.799) 7.800 2.883 ( 2.946 0.000 0.406) 2.974 3.115 ( -0.493 0.000 -0.513) 0.711 3.186 ( -0.081 0.000 7.382) 7.382 3.330 ( 1.742 0.000 2.474) 3.026 5.371 ( 0.243 0.000 2.779) 2.790 5.401 ( 0.877 0.000 1.617) 1.839 5.510 ( 0.697 0.000 1.744) 1.878 5.568 ( 0.379 0.000 1.831) 1.870 5.768 ( -1.647 0.000 2.273) 2.807 5.780 ( 1.655 0.000 0.010) 1.655 5.858 ( -0.159 0.000 0.047) 0.166 5.869 ( 2.003 0.000 0.042) 2.003 6.055 ( -1.173 0.000 2.641) 2.890 6.145 ( 8.779 0.000 2.245) 9.062 6.246 ( -5.388 0.000 4.098) 6.769 6.274 ( -13.125 0.000 1.601) 13.223 6.347 ( -8.304 0.000 2.578) 8.695 6.455 ( 9.785 0.000 3.057) 10.252 6.556 ( -1.609 0.000 2.850) 3.273 6.635 ( -1.519 0.000 8.148) 8.288 6.785 ( 0.051 0.000 -1.321) 1.322 6.812 ( -0.286 0.000 0.658) 0.717 7.143 ( -2.050 0.000 -1.698) 2.662 7.271 ( 5.050 0.000 -2.577) 5.669 7.359 ( -1.524 0.000 3.933) 4.218 7.510 ( 2.188 0.000 4.016) 4.573 8.013 ( -15.544 0.000 -0.587) 15.555 8.169 ( -0.900 0.000 -2.116) 2.299 ======================= Grid point 46 (17/102) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 9.140 0.000 9.879) 13.459 0.604 ( 10.694 0.000 11.764) 15.898 0.896 ( 11.938 0.000 13.742) 18.204 0.927 ( 7.820 0.000 5.392) 9.499 1.110 ( 11.680 0.000 6.694) 13.462 1.146 ( 8.375 0.000 6.939) 10.876 1.196 ( 11.023 0.000 9.564) 14.594 1.556 ( 12.832 0.000 1.436) 12.912 1.686 ( 6.022 0.000 -0.429) 6.038 1.840 ( -2.827 0.000 -2.057) 3.496 1.842 ( 0.184 0.000 12.224) 12.225 1.968 ( 1.282 0.000 -0.918) 1.577 2.126 ( -0.387 0.000 -0.798) 0.887 2.164 ( -2.989 0.000 6.186) 6.870 2.272 ( 1.714 0.000 9.229) 9.387 2.275 ( -1.335 0.000 7.390) 7.510 2.397 ( 3.164 0.000 -1.518) 3.510 2.465 ( 5.892 0.000 5.321) 7.939 2.611 ( 6.078 0.000 0.618) 6.110 2.821 ( 1.963 0.000 -7.139) 7.404 2.972 ( 4.174 0.000 -0.737) 4.239 3.101 ( -0.759 0.000 -0.256) 0.801 3.233 ( 2.540 0.000 7.438) 7.860 3.370 ( 1.870 0.000 1.195) 2.219 5.347 ( -3.043 0.000 3.131) 4.367 5.421 ( 0.001 0.000 2.425) 2.425 5.461 ( -4.456 0.000 -0.615) 4.498 5.562 ( -1.842 0.000 2.240) 2.900 5.727 ( -1.900 0.000 0.428) 1.948 5.793 ( -0.467 0.000 1.732) 1.794 5.853 ( -1.084 0.000 2.561) 2.781 5.900 ( 0.892 0.000 0.515) 1.030 5.984 ( -7.488 0.000 10.857) 13.188 6.067 ( 1.760 0.000 1.822) 2.534 6.196 ( -4.730 0.000 4.649) 6.632 6.198 ( 0.252 0.000 1.239) 1.265 6.339 ( 4.241 0.000 -0.945) 4.346 6.547 ( 0.182 0.000 0.470) 0.504 6.620 ( -1.784 0.000 7.485) 7.695 6.714 ( 12.745 0.000 2.524) 12.993 6.800 ( 3.826 0.000 1.680) 4.179 6.852 ( 2.184 0.000 0.058) 2.185 7.133 ( 0.691 0.000 -1.832) 1.958 7.214 ( -7.054 0.000 6.128) 9.344 7.485 ( 15.354 0.000 1.419) 15.419 7.661 ( 11.002 0.000 3.172) 11.450 8.122 ( 11.696 0.000 -13.940) 18.197 8.167 ( 1.775 0.000 -2.608) 3.154 ======================= Grid point 47 (18/102) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 11.381 0.000 5.439) 12.613 0.818 ( 6.634 0.000 13.257) 14.825 1.020 ( 6.579 0.000 -11.119) 12.919 1.073 ( 4.535 0.000 5.182) 6.887 1.353 ( 7.858 0.000 8.293) 11.425 1.421 ( 8.787 0.000 10.242) 13.495 1.605 ( 21.980 0.000 7.189) 23.126 1.801 ( 1.952 0.000 -3.201) 3.749 1.801 ( 6.839 0.000 2.248) 7.199 1.852 ( 6.965 0.000 1.923) 7.225 1.908 ( 4.837 0.000 4.869) 6.863 2.030 ( 5.274 0.000 -1.904) 5.607 2.099 ( -4.021 0.000 4.942) 6.372 2.182 ( 5.988 0.000 0.487) 6.008 2.281 ( -0.053 0.000 5.585) 5.585 2.364 ( 5.921 0.000 1.376) 6.079 2.467 ( 3.923 0.000 2.757) 4.795 2.618 ( 5.956 0.000 10.887) 12.410 2.764 ( 6.178 0.000 3.769) 7.237 2.864 ( 3.436 0.000 -3.672) 5.029 3.057 ( 5.633 0.000 -1.971) 5.968 3.083 ( -0.796 0.000 -0.090) 0.801 3.313 ( 3.242 0.000 6.553) 7.311 3.426 ( 3.220 0.000 0.637) 3.282 5.254 ( -6.273 0.000 4.525) 7.735 5.359 ( -4.941 0.000 -1.474) 5.156 5.396 ( -2.855 0.000 2.630) 3.882 5.503 ( -3.783 0.000 1.763) 4.174 5.706 ( -0.045 0.000 0.597) 0.599 5.794 ( 0.529 0.000 2.832) 2.881 5.844 ( -0.443 0.000 4.942) 4.961 5.914 ( 0.388 0.000 -0.205) 0.439 5.933 ( -1.748 0.000 7.157) 7.367 6.103 ( 0.720 0.000 -0.340) 0.796 6.109 ( -4.742 0.000 5.369) 7.163 6.239 ( 2.592 0.000 2.024) 3.288 6.389 ( -0.080 0.000 4.590) 4.590 6.566 ( 1.019 0.000 1.667) 1.953 6.612 ( 0.268 0.000 4.042) 4.051 6.896 ( 2.274 0.000 0.880) 2.438 6.925 ( 6.144 0.000 4.341) 7.523 6.953 ( 9.162 0.000 0.875) 9.204 7.107 ( -5.000 0.000 3.896) 6.339 7.137 ( -0.264 0.000 -2.792) 2.805 7.883 ( 20.527 0.000 1.186) 20.562 7.954 ( 15.939 0.000 0.989) 15.970 8.249 ( 6.751 0.000 -2.537) 7.212 8.277 ( 7.661 0.000 -10.593) 13.073 ======================= Grid point 48 (19/102) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 8.345 0.000 4.016) 9.261 0.933 ( 2.884 0.000 5.776) 6.456 1.149 ( 2.380 0.000 3.967) 4.626 1.149 ( 6.285 0.000 -8.345) 10.447 1.433 ( -1.918 0.000 8.369) 8.586 1.573 ( 3.898 0.000 11.391) 12.039 1.820 ( 0.690 0.000 -1.528) 1.677 1.871 ( 1.553 0.000 0.843) 1.767 1.894 ( 5.413 0.000 -2.381) 5.914 2.002 ( 2.206 0.000 5.705) 6.116 2.042 ( 5.098 0.000 6.962) 8.630 2.073 ( 4.029 0.000 1.045) 4.162 2.166 ( 6.326 0.000 -2.371) 6.756 2.304 ( 0.196 0.000 2.629) 2.637 2.318 ( 5.755 0.000 -3.065) 6.520 2.492 ( 5.925 0.000 -5.212) 7.891 2.532 ( 1.413 0.000 6.416) 6.570 2.723 ( 1.051 0.000 12.033) 12.079 2.862 ( 2.789 0.000 3.874) 4.774 2.945 ( 4.150 0.000 1.803) 4.524 3.082 ( 0.848 0.000 1.323) 1.571 3.197 ( 6.706 0.000 -1.785) 6.940 3.387 ( 2.180 0.000 5.996) 6.380 3.493 ( 2.795 0.000 -0.183) 2.801 5.140 ( -5.264 0.000 4.353) 6.831 5.256 ( -4.456 0.000 0.326) 4.467 5.338 ( -2.751 0.000 2.256) 3.557 5.440 ( -2.377 0.000 1.456) 2.787 5.728 ( 1.849 0.000 0.871) 2.044 5.822 ( 0.953 0.000 2.056) 2.266 5.850 ( -0.239 0.000 4.454) 4.461 5.913 ( -0.337 0.000 -0.608) 0.695 5.914 ( -1.634 0.000 6.135) 6.349 6.028 ( -4.307 0.000 6.195) 7.545 6.101 ( -0.177 0.000 -0.840) 0.858 6.292 ( 1.765 0.000 3.574) 3.986 6.379 ( -1.429 0.000 6.222) 6.384 6.578 ( -0.446 0.000 3.063) 3.095 6.641 ( 1.105 0.000 4.399) 4.535 6.942 ( 1.753 0.000 1.887) 2.576 7.022 ( -3.177 0.000 1.983) 3.745 7.050 ( 2.903 0.000 4.274) 5.167 7.096 ( 4.351 0.000 0.956) 4.454 7.107 ( -0.201 0.000 -1.680) 1.692 8.247 ( 12.674 0.000 0.261) 12.676 8.271 ( 12.884 0.000 0.307) 12.888 8.398 ( 6.779 0.000 -2.149) 7.111 8.422 ( 7.965 0.000 -4.594) 9.194 ======================= Grid point 49 (20/102) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.891 0.000 0.688) 1.126 0.999 ( 1.228 0.000 5.016) 5.164 1.197 ( -1.217 0.000 0.726) 1.417 1.214 ( 2.991 0.000 1.733) 3.457 1.339 ( -8.094 0.000 6.872) 10.618 1.661 ( 2.728 0.000 7.960) 8.415 1.801 ( -2.155 0.000 -1.083) 2.412 1.873 ( -2.109 0.000 0.408) 2.148 1.926 ( -0.724 0.000 -2.119) 2.239 2.040 ( 0.595 0.000 6.157) 6.186 2.097 ( 1.167 0.000 6.224) 6.333 2.196 ( 1.789 0.000 -0.748) 1.939 2.208 ( -2.127 0.000 -3.678) 4.249 2.238 ( -3.408 0.000 1.531) 3.736 2.391 ( 2.376 0.000 -4.823) 5.376 2.553 ( -2.649 0.000 5.825) 6.399 2.558 ( 1.596 0.000 -5.184) 5.424 2.738 ( -1.930 0.000 10.674) 10.847 2.887 ( -1.357 0.000 3.136) 3.417 3.005 ( 0.784 0.000 3.417) 3.506 3.105 ( -0.249 0.000 3.550) 3.558 3.271 ( 0.248 0.000 -1.743) 1.761 3.420 ( -0.523 0.000 5.877) 5.900 3.526 ( 0.146 0.000 -0.257) 0.296 5.073 ( -1.906 0.000 3.487) 3.974 5.198 ( -0.999 0.000 2.061) 2.290 5.308 ( -0.485 0.000 1.682) 1.751 5.414 ( -0.368 0.000 1.464) 1.509 5.780 ( 2.731 0.000 0.747) 2.831 5.817 ( -1.854 0.000 0.332) 1.884 5.852 ( -0.537 0.000 2.801) 2.852 5.897 ( -1.358 0.000 5.987) 6.139 5.906 ( -0.200 0.000 -0.485) 0.525 5.970 ( -2.308 0.000 7.052) 7.421 6.109 ( 1.091 0.000 0.104) 1.096 6.339 ( 2.003 0.000 5.166) 5.540 6.376 ( -0.266 0.000 6.291) 6.296 6.571 ( -0.718 0.000 3.612) 3.683 6.667 ( 0.095 0.000 5.102) 5.103 6.963 ( -1.117 0.000 0.621) 1.278 6.999 ( 0.740 0.000 3.107) 3.194 7.002 ( -3.019 0.000 -0.405) 3.046 7.150 ( 0.544 0.000 1.034) 1.169 7.196 ( 4.524 0.000 5.352) 7.008 8.380 ( 0.150 0.000 -0.092) 0.176 8.417 ( -0.347 0.000 -0.127) 0.370 8.484 ( 1.743 0.000 -0.767) 1.904 8.543 ( 3.273 0.000 -0.871) 3.387 ======================= Grid point 50 (21/102) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -5.562 0.000 7.323) 9.196 0.977 ( -1.682 0.000 0.995) 1.954 1.106 ( -7.190 0.000 4.490) 8.476 1.155 ( -8.742 0.000 4.452) 9.810 1.252 ( -1.206 0.000 0.985) 1.557 1.693 ( -4.230 0.000 3.677) 5.605 1.754 ( 0.351 0.000 0.060) 0.356 1.769 ( -7.870 0.000 -0.874) 7.918 1.867 ( -5.002 0.000 -1.404) 5.196 2.054 ( -6.773 0.000 2.107) 7.093 2.069 ( -0.191 0.000 6.541) 6.543 2.073 ( -9.302 0.000 6.701) 11.464 2.105 ( -4.201 0.000 -4.289) 6.004 2.261 ( -1.428 0.000 3.948) 4.199 2.379 ( -2.999 0.000 -3.250) 4.423 2.478 ( -1.916 0.000 1.239) 2.281 2.542 ( -2.487 0.000 -0.112) 2.490 2.663 ( -8.197 0.000 10.046) 12.966 2.828 ( -4.501 0.000 1.758) 4.832 3.006 ( -2.181 0.000 4.324) 4.843 3.084 ( -0.694 0.000 0.598) 0.916 3.199 ( -6.225 0.000 -1.583) 6.423 3.389 ( -3.734 0.000 5.505) 6.652 3.490 ( -3.573 0.000 0.446) 3.600 5.079 ( 1.885 0.000 1.883) 2.664 5.227 ( 2.995 0.000 2.921) 4.184 5.321 ( 1.234 0.000 1.141) 1.681 5.433 ( 1.875 0.000 1.311) 2.288 5.765 ( -2.620 0.000 0.147) 2.624 5.813 ( -1.109 0.000 0.733) 1.329 5.850 ( 1.116 0.000 2.264) 2.524 5.890 ( -1.272 0.000 -1.270) 1.798 5.893 ( -0.529 0.000 5.560) 5.585 5.986 ( 2.388 0.000 6.769) 7.178 6.140 ( 1.406 0.000 1.097) 1.784 6.395 ( 0.492 0.000 6.123) 6.143 6.397 ( 1.819 0.000 6.996) 7.229 6.571 ( -0.257 0.000 3.800) 3.808 6.666 ( -1.115 0.000 4.161) 4.308 6.885 ( -4.065 0.000 -2.430) 4.736 6.976 ( -1.657 0.000 2.991) 3.420 7.055 ( 1.902 0.000 4.351) 4.749 7.121 ( -2.863 0.000 1.809) 3.386 7.277 ( 1.763 0.000 4.812) 5.125 8.243 ( -13.322 0.000 -0.205) 13.324 8.272 ( -12.739 0.000 -0.025) 12.739 8.439 ( -5.648 0.000 -0.338) 5.658 8.568 ( 0.346 0.000 0.604) 0.696 ======================= Grid point 51 (22/102) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -14.176 0.000 9.640) 17.143 0.839 ( -12.533 0.000 9.355) 15.640 1.019 ( -1.503 0.000 1.871) 2.400 1.036 ( -4.587 0.000 3.760) 5.931 1.169 ( -7.043 0.000 1.218) 7.148 1.525 ( -12.164 0.000 2.369) 12.393 1.564 ( -10.471 0.000 -2.094) 10.679 1.586 ( -23.754 0.000 5.337) 24.346 1.747 ( -2.916 0.000 -0.652) 2.988 1.887 ( -4.478 0.000 8.980) 10.034 1.970 ( -1.205 0.000 2.026) 2.357 1.992 ( -3.976 0.000 1.166) 4.144 2.109 ( -1.061 0.000 1.611) 1.929 2.237 ( -1.756 0.000 5.116) 5.409 2.267 ( -5.668 0.000 3.947) 6.907 2.440 ( -9.983 0.000 12.651) 16.115 2.486 ( 0.982 0.000 -0.272) 1.019 2.495 ( -6.470 0.000 2.126) 6.810 2.720 ( -6.241 0.000 0.233) 6.245 2.935 ( -3.856 0.000 -0.963) 3.975 3.046 ( -7.185 0.000 -1.956) 7.447 3.103 ( 1.389 0.000 -0.364) 1.436 3.303 ( -5.413 0.000 5.419) 7.660 3.395 ( -5.194 0.000 1.359) 5.369 5.157 ( 5.192 0.000 1.510) 5.407 5.321 ( 4.963 0.000 3.270) 5.944 5.357 ( 1.783 0.000 0.613) 1.886 5.490 ( 2.990 0.000 1.062) 3.173 5.727 ( -0.801 0.000 0.552) 0.973 5.783 ( -1.316 0.000 1.672) 2.128 5.852 ( -1.712 0.000 -1.796) 2.482 5.873 ( 0.142 0.000 1.255) 1.263 5.901 ( 0.051 0.000 7.520) 7.520 6.092 ( 6.132 0.000 5.359) 8.144 6.151 ( -1.191 0.000 2.049) 2.370 6.415 ( -0.083 0.000 5.171) 5.172 6.425 ( -1.436 0.000 8.064) 8.190 6.576 ( 0.058 0.000 3.859) 3.860 6.642 ( -2.225 0.000 3.132) 3.842 6.809 ( -2.797 0.000 -1.288) 3.079 6.929 ( -3.258 0.000 1.735) 3.691 6.940 ( -10.580 0.000 0.156) 10.581 7.156 ( 1.997 0.000 6.251) 6.562 7.285 ( -1.850 0.000 3.542) 3.996 7.868 ( -20.931 0.000 0.585) 20.940 7.931 ( -18.626 0.000 -0.454) 18.631 8.300 ( -6.281 0.000 -0.390) 6.293 8.581 ( 0.682 0.000 -3.423) 3.490 ======================= Grid point 52 (23/102) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -14.246 0.000 11.735) 18.457 0.556 ( -17.181 0.000 8.352) 19.104 0.931 ( -7.683 0.000 5.067) 9.204 0.984 ( -8.648 0.000 9.507) 12.852 0.996 ( -7.923 0.000 3.162) 8.530 1.055 ( -20.981 0.000 15.852) 26.296 1.293 ( -9.124 0.000 7.668) 11.918 1.382 ( -5.532 0.000 -0.787) 5.588 1.659 ( -3.939 0.000 -0.907) 4.042 1.882 ( 0.270 0.000 8.690) 8.694 1.905 ( -5.855 0.000 8.087) 9.984 2.027 ( -3.469 0.000 -0.723) 3.543 2.030 ( 7.459 0.000 2.953) 8.022 2.230 ( 0.127 0.000 4.845) 4.846 2.231 ( -2.072 0.000 7.497) 7.778 2.265 ( -7.475 0.000 13.644) 15.557 2.410 ( -2.611 0.000 0.985) 2.791 2.447 ( -6.450 0.000 1.700) 6.670 2.604 ( -3.660 0.000 -1.749) 4.056 2.862 ( -2.246 0.000 -6.142) 6.540 2.909 ( -5.096 0.000 -2.310) 5.595 3.119 ( 0.239 0.000 -0.177) 0.297 3.214 ( -3.967 0.000 5.965) 7.164 3.318 ( -1.927 0.000 2.795) 3.394 5.291 ( 6.323 0.000 3.238) 7.104 5.385 ( 0.694 0.000 0.696) 0.983 5.433 ( 4.767 0.000 3.291) 5.793 5.545 ( 1.702 0.000 1.215) 2.092 5.739 ( 1.679 0.000 0.203) 1.691 5.773 ( -0.163 0.000 2.493) 2.498 5.834 ( 0.795 0.000 -1.113) 1.368 5.870 ( -0.567 0.000 0.472) 0.737 5.947 ( 3.844 0.000 10.244) 10.941 6.101 ( -3.450 0.000 2.533) 4.280 6.257 ( 8.401 0.000 5.314) 9.941 6.362 ( -5.973 0.000 6.897) 9.124 6.411 ( -1.329 0.000 2.702) 3.011 6.550 ( -9.534 0.000 1.583) 9.664 6.586 ( -0.949 0.000 4.259) 4.363 6.714 ( -8.044 0.000 1.488) 8.181 6.765 ( -0.637 0.000 -0.010) 0.637 6.866 ( -2.820 0.000 -0.083) 2.821 7.196 ( 1.273 0.000 5.846) 5.983 7.226 ( -4.375 0.000 0.936) 4.474 7.483 ( -14.228 0.000 2.692) 14.481 7.591 ( -11.515 0.000 0.710) 11.537 8.207 ( -2.677 0.000 -1.021) 2.865 8.488 ( -11.529 0.000 -16.723) 20.312 ======================= Grid point 53 (24/102) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 4.066 11.813 8.507) 15.115 0.644 ( -0.491 12.935 11.197) 17.116 0.764 ( -3.850 5.206 12.095) 13.719 0.904 ( 3.377 -0.249 6.968) 7.748 0.943 ( 2.894 0.380 5.691) 6.395 0.975 ( -2.752 7.135 4.720) 8.987 1.098 ( -4.167 -5.959 14.458) 16.184 1.373 ( 2.772 -1.073 2.513) 3.892 1.717 ( 0.058 8.718 -0.476) 8.731 1.866 ( -1.995 1.442 8.455) 8.806 1.908 ( -2.218 1.748 7.405) 7.925 1.978 ( -2.378 0.524 -0.743) 2.546 2.109 ( -4.465 -5.330 6.114) 9.259 2.163 ( -4.791 -3.838 1.980) 6.450 2.210 ( 2.304 -1.226 6.799) 7.283 2.257 ( 3.848 -3.797 9.228) 10.695 2.323 ( 1.943 3.910 2.072) 4.833 2.480 ( -1.804 -0.020 -2.140) 2.798 2.505 ( -1.313 4.398 -2.400) 5.179 2.847 ( 0.818 -0.297 -6.204) 6.265 2.932 ( 2.339 3.216 -0.722) 4.041 3.077 ( 0.724 -6.716 5.274) 8.570 3.104 ( -0.989 -0.468 1.734) 2.050 3.296 ( 1.226 -4.037 3.523) 5.497 5.384 ( -0.948 1.649 2.473) 3.120 5.419 ( 0.598 1.506 1.393) 2.138 5.495 ( 0.421 -1.369 2.214) 2.637 5.540 ( 0.608 -2.339 1.387) 2.787 5.760 ( 1.110 -0.149 1.123) 1.586 5.822 ( 1.848 -2.551 0.962) 3.294 5.835 ( -0.385 3.982 0.041) 4.000 5.875 ( 0.560 0.487 0.873) 1.146 5.974 ( -0.139 -0.066 6.202) 6.204 6.180 ( -1.513 -2.961 4.352) 5.477 6.258 ( 0.451 2.609 1.803) 3.203 6.304 ( -10.197 2.015 1.979) 10.581 6.349 ( -7.965 0.171 2.708) 8.415 6.419 ( 7.195 -3.265 3.838) 8.784 6.550 ( -0.090 -0.543 7.943) 7.962 6.592 ( 0.015 -3.173 5.283) 6.162 6.795 ( 0.194 0.886 -0.855) 1.247 6.824 ( -0.325 0.383 0.377) 0.628 7.162 ( -1.448 1.714 -1.535) 2.718 7.251 ( 4.034 -1.820 -1.848) 4.796 7.347 ( -0.748 -0.850 4.422) 4.565 7.388 ( -3.681 -4.997 9.440) 11.297 8.086 ( -4.703 3.495 -4.903) 7.640 8.166 ( -1.021 -0.585 -2.477) 2.742 ======================= Grid point 54 (25/102) ======================= q-point: ( 0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 7.608 6.751 8.457) 13.228 0.721 ( 5.056 15.443 8.612) 18.391 0.889 ( 7.043 -0.358 7.037) 9.963 0.974 ( 3.692 -0.285 4.125) 5.543 1.127 ( 11.484 -1.064 5.957) 12.980 1.150 ( 14.223 3.766 9.494) 17.511 1.192 ( 14.088 2.965 10.363) 17.738 1.525 ( 10.135 -2.405 2.052) 10.617 1.752 ( 2.800 4.156 -1.111) 5.133 1.837 ( -1.413 -0.293 -1.764) 2.279 1.881 ( -0.450 2.717 11.187) 11.521 1.960 ( 1.212 0.563 0.759) 1.537 2.052 ( -1.983 -5.834 7.948) 10.057 2.102 ( 1.028 -3.243 0.844) 3.505 2.242 ( 0.520 0.768 3.851) 3.961 2.333 ( 0.741 -1.876 3.590) 4.118 2.428 ( 5.370 2.056 6.778) 8.889 2.478 ( 0.925 3.364 -0.170) 3.493 2.550 ( 8.080 -1.620 1.952) 8.469 2.856 ( 1.136 0.395 -4.917) 5.062 3.012 ( 4.469 0.738 -1.505) 4.773 3.095 ( -0.243 1.273 2.154) 2.514 3.116 ( 1.585 -6.977 5.939) 9.299 3.346 ( 2.555 -3.646 2.093) 4.920 5.330 ( -4.021 -0.370 3.128) 5.108 5.396 ( -4.298 -1.769 2.936) 5.497 5.470 ( -1.731 0.811 0.917) 2.120 5.543 ( -1.254 -1.875 2.016) 3.025 5.769 ( -0.742 2.570 1.372) 3.006 5.815 ( -0.475 3.788 0.049) 3.818 5.862 ( 1.410 -2.112 0.849) 2.678 5.888 ( -0.112 1.553 2.626) 3.052 5.952 ( -2.638 -0.755 6.633) 7.178 6.113 ( -3.575 -4.446 3.198) 6.541 6.160 ( -2.281 4.155 3.958) 6.175 6.233 ( -2.001 0.752 3.007) 3.690 6.355 ( 4.181 2.107 0.315) 4.692 6.566 ( 2.278 -0.461 5.088) 5.593 6.591 ( -0.029 -2.659 2.538) 3.676 6.649 ( 8.649 -3.412 4.361) 10.270 6.816 ( 3.461 1.106 1.025) 3.775 6.855 ( 2.087 -0.136 0.637) 2.186 7.162 ( 0.918 2.402 -1.421) 2.938 7.221 ( -4.706 0.221 3.417) 5.820 7.482 ( 15.213 0.019 1.636) 15.301 7.588 ( 14.593 -5.052 2.554) 15.653 8.129 ( 6.383 0.876 -7.948) 10.231 8.170 ( 2.739 -0.240 -3.870) 4.748 ======================= Grid point 55 (26/102) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 6.273 4.048 6.203) 9.706 0.868 ( 6.748 10.686 6.728) 14.318 0.972 ( 5.170 -4.005 -6.088) 8.935 1.093 ( 4.517 1.153 4.739) 6.648 1.368 ( 8.111 1.557 7.181) 10.944 1.436 ( 9.978 0.311 10.228) 14.292 1.613 ( 18.206 1.185 6.179) 19.262 1.703 ( 5.198 -4.380 5.094) 8.494 1.792 ( 2.392 -0.909 -3.127) 4.040 1.848 ( 0.427 -3.604 2.227) 4.258 1.948 ( 5.106 3.285 4.418) 7.509 2.039 ( 5.593 1.055 -1.746) 5.953 2.106 ( 4.984 1.019 1.527) 5.311 2.182 ( 6.223 -2.230 2.112) 6.940 2.272 ( 1.623 2.599 5.066) 5.921 2.370 ( 3.988 -1.606 1.360) 4.510 2.506 ( 3.708 5.136 3.797) 7.385 2.613 ( 6.797 -0.492 9.513) 11.702 2.734 ( 7.458 -1.660 3.740) 8.506 2.875 ( 1.986 -0.252 -2.889) 3.515 3.061 ( 0.281 -1.842 -0.016) 1.864 3.132 ( 4.195 6.447 -0.479) 7.706 3.179 ( 3.030 -9.340 6.449) 11.748 3.412 ( 3.499 -3.198 0.891) 4.823 5.241 ( -5.470 -0.919 4.150) 6.928 5.293 ( -5.195 -3.487 1.678) 6.478 5.417 ( -3.711 1.258 1.949) 4.376 5.494 ( -3.494 -1.405 1.987) 4.258 5.759 ( 0.001 4.449 0.540) 4.482 5.820 ( 0.570 2.467 1.409) 2.897 5.877 ( -0.615 1.814 3.533) 4.019 5.888 ( -0.082 -1.125 3.911) 4.070 5.930 ( -0.896 -0.706 2.961) 3.173 6.050 ( -3.535 -4.318 4.820) 7.374 6.166 ( 0.367 3.829 2.227) 4.445 6.244 ( 1.714 0.034 2.210) 2.797 6.411 ( 0.190 2.351 4.725) 5.281 6.586 ( -0.299 -2.951 4.240) 5.174 6.616 ( 1.963 4.429 1.578) 5.095 6.846 ( 8.463 -5.498 2.534) 10.406 6.901 ( 2.496 -0.546 1.291) 2.863 6.925 ( 5.064 -1.457 2.258) 5.732 7.135 ( -4.279 2.182 1.687) 5.091 7.167 ( -0.507 1.545 -1.761) 2.397 7.878 ( 20.532 -0.051 0.836) 20.549 7.935 ( 17.895 -1.765 0.192) 17.983 8.245 ( 7.151 -0.137 -3.764) 8.082 8.268 ( 6.968 -0.752 -6.970) 9.884 ======================= Grid point 56 (27/102) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 3.807 1.259 3.842) 5.554 0.980 ( 2.944 4.544 0.563) 5.444 1.100 ( 6.794 -1.871 -0.932) 7.108 1.175 ( 2.554 0.491 1.734) 3.126 1.461 ( -0.619 3.236 7.325) 8.032 1.610 ( 4.718 2.611 10.777) 12.051 1.760 ( 0.114 -7.276 2.850) 7.815 1.824 ( 2.129 0.014 -1.036) 2.368 1.864 ( 4.097 -3.529 2.397) 5.914 1.907 ( 4.882 -4.016 4.357) 7.677 2.058 ( 2.898 0.520 -1.175) 3.170 2.107 ( 1.990 -0.516 0.479) 2.111 2.212 ( 5.031 3.897 0.495) 6.383 2.291 ( -1.005 1.295 1.670) 2.340 2.372 ( 8.982 2.963 -1.046) 9.516 2.492 ( 5.962 -0.514 -2.587) 6.519 2.596 ( 2.727 5.991 6.010) 8.914 2.738 ( 2.734 1.198 9.615) 10.068 2.840 ( 1.940 -1.624 4.872) 5.489 2.941 ( 4.151 -1.294 0.625) 4.393 3.075 ( 1.250 -0.421 2.456) 2.788 3.229 ( 3.503 -3.434 2.075) 5.326 3.260 ( 3.758 -1.932 2.749) 5.041 3.487 ( 3.274 -2.716 0.008) 4.254 5.138 ( -4.821 -0.051 4.170) 6.374 5.202 ( -3.884 -3.644 1.692) 5.588 5.349 ( -2.786 1.239 2.225) 3.775 5.431 ( -2.654 -1.317 1.775) 3.454 5.773 ( 1.104 3.941 1.052) 4.226 5.839 ( 0.646 1.346 1.970) 2.472 5.868 ( -1.258 1.292 4.432) 4.785 5.892 ( -0.466 -1.333 3.841) 4.092 5.916 ( -0.720 -0.015 0.388) 0.818 5.994 ( -2.973 -2.758 5.434) 6.780 6.171 ( -0.042 4.862 1.360) 5.049 6.284 ( 1.398 -0.776 3.292) 3.660 6.403 ( -1.492 2.487 6.253) 6.893 6.590 ( -0.430 -3.539 3.885) 5.273 6.655 ( 1.057 5.758 2.718) 6.455 6.943 ( 1.321 0.078 1.821) 2.251 6.987 ( 2.886 -5.771 -0.815) 6.504 7.025 ( 3.970 -1.599 4.385) 6.127 7.064 ( -1.445 1.777 2.705) 3.545 7.138 ( -1.397 0.037 -0.927) 1.677 8.249 ( 13.656 0.479 -0.002) 13.665 8.277 ( 13.418 0.185 0.065) 13.419 8.393 ( 6.537 -0.431 -2.328) 6.953 8.407 ( 7.237 -1.182 -3.872) 8.293 ======================= Grid point 57 (28/102) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.084 0.935 -0.254) 0.973 1.026 ( 1.550 0.644 4.301) 4.617 1.189 ( -1.517 -0.481 0.596) 1.699 1.206 ( 1.956 -1.140 2.981) 3.743 1.407 ( -5.292 6.445 5.634) 10.064 1.688 ( 0.306 0.350 7.096) 7.111 1.738 ( -2.286 -3.902 1.765) 4.854 1.850 ( 0.289 -0.280 0.208) 0.453 1.875 ( -3.057 -4.152 1.449) 5.355 2.005 ( 2.424 -3.370 5.154) 6.618 2.085 ( 0.616 -1.373 -0.002) 1.505 2.123 ( -1.047 -4.139 -1.527) 4.534 2.230 ( -1.436 4.334 3.096) 5.517 2.300 ( -0.086 2.790 -1.762) 3.301 2.471 ( 1.618 4.570 -3.855) 6.194 2.561 ( 1.376 -0.132 -3.925) 4.161 2.622 ( -2.278 6.027 6.598) 9.222 2.772 ( -2.118 3.704 8.359) 9.385 2.851 ( -1.408 -3.055 3.870) 5.128 3.008 ( 1.349 -0.550 2.638) 3.014 3.100 ( -0.672 -0.447 4.156) 4.234 3.262 ( -0.703 -10.722 5.748) 12.186 3.315 ( 0.056 3.671 -0.987) 3.801 3.528 ( 0.220 -2.308 -0.045) 2.319 5.078 ( -1.695 0.516 3.469) 3.895 5.155 ( -0.711 -3.191 2.549) 4.146 5.322 ( -0.353 1.299 2.001) 2.411 5.400 ( -0.629 -1.436 1.657) 2.282 5.804 ( 1.328 1.923 1.705) 2.893 5.831 ( -2.132 0.950 0.461) 2.379 5.858 ( -0.235 0.542 3.482) 3.532 5.884 ( -1.052 -0.569 3.588) 3.782 5.908 ( -0.273 0.201 0.051) 0.343 5.958 ( -1.467 -1.118 5.676) 5.968 6.183 ( 0.989 5.438 2.051) 5.895 6.323 ( 1.534 -1.372 4.401) 4.858 6.398 ( -0.217 2.343 6.688) 7.090 6.587 ( -0.568 -3.154 3.646) 4.854 6.668 ( -0.456 4.876 3.414) 5.970 6.937 ( -2.302 -2.786 -1.672) 3.982 6.988 ( -1.197 0.001 1.624) 2.017 7.048 ( 1.750 3.325 3.369) 5.046 7.111 ( -0.776 -3.826 2.241) 4.501 7.172 ( 4.845 -1.954 4.720) 7.040 8.396 ( 0.177 1.528 -0.313) 1.569 8.427 ( -0.682 0.964 -0.427) 1.255 8.473 ( 2.157 -0.951 -0.594) 2.431 8.518 ( 3.057 -2.198 -0.692) 3.828 ======================= Grid point 58 (29/102) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.728 0.975 1.868) 3.447 1.055 ( -0.222 -0.146 4.366) 4.374 1.090 ( -7.961 1.586 3.451) 8.820 1.181 ( -5.396 0.092 3.679) 6.531 1.298 ( -5.934 6.084 2.306) 8.806 1.612 ( -7.246 -7.272 0.047) 10.266 1.688 ( -5.414 -1.576 3.663) 6.724 1.788 ( -5.429 -4.985 1.987) 7.633 1.838 ( -0.258 2.226 0.583) 2.315 1.989 ( -3.955 -3.400 2.171) 5.650 2.062 ( -4.873 1.070 2.665) 5.656 2.118 ( 1.224 1.770 2.896) 3.608 2.201 ( -6.234 4.660 -1.109) 7.862 2.233 ( -1.651 -0.943 3.189) 3.713 2.455 ( -3.529 4.642 -1.775) 6.095 2.499 ( -6.674 2.166 3.535) 7.857 2.563 ( -2.707 2.283 1.196) 3.738 2.676 ( -8.426 0.537 7.581) 11.347 2.809 ( -3.669 -0.400 2.662) 4.551 3.022 ( -1.216 1.140 3.672) 4.033 3.058 ( -2.266 -2.545 0.810) 3.503 3.225 ( -5.219 -8.529 4.713) 11.054 3.258 ( -3.820 2.066 0.040) 4.343 3.489 ( -3.787 -2.579 0.506) 4.610 5.087 ( 1.981 0.965 2.427) 3.278 5.189 ( 3.117 -3.078 3.212) 5.432 5.339 ( 1.440 1.482 1.481) 2.542 5.415 ( 1.711 -1.603 1.426) 2.744 5.773 ( -2.782 0.875 0.351) 2.938 5.831 ( 0.115 -1.327 0.995) 1.663 5.842 ( -1.503 1.945 1.086) 2.687 5.881 ( -0.429 -0.483 2.975) 3.044 5.903 ( 0.076 1.109 1.550) 1.907 5.975 ( 1.912 -0.945 5.747) 6.130 6.216 ( 1.257 5.537 3.245) 6.540 6.364 ( 1.126 -1.681 4.954) 5.351 6.426 ( 0.996 1.919 7.402) 7.711 6.584 ( -0.607 -2.650 3.328) 4.297 6.657 ( -1.270 3.143 3.419) 4.815 6.862 ( -3.692 -2.476 -2.353) 5.030 6.966 ( -2.099 -0.012 3.106) 3.749 7.061 ( -4.544 -3.390 1.753) 5.934 7.122 ( 3.653 3.704 4.859) 7.119 7.265 ( 2.552 -1.550 4.358) 5.283 8.256 ( -13.384 1.162 -0.054) 13.435 8.278 ( -12.811 0.428 -0.114) 12.818 8.439 ( -5.177 0.166 -0.329) 5.190 8.528 ( -1.310 -3.365 0.450) 3.639 ======================= Grid point 59 (30/102) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -9.810 1.995 7.543) 12.535 0.889 ( -9.763 4.465 3.996) 11.455 1.033 ( -4.798 2.484 3.991) 6.717 1.057 ( -4.868 1.745 3.608) 6.306 1.153 ( -8.603 0.174 2.294) 8.906 1.418 ( -11.101 -7.722 1.361) 13.591 1.547 ( -8.008 -0.557 0.853) 8.073 1.596 ( -16.495 -0.523 3.898) 16.957 1.835 ( -1.136 3.164 -0.999) 3.507 1.887 ( -5.988 2.145 2.524) 6.843 1.915 ( -4.516 2.156 9.754) 10.963 2.094 ( -2.184 3.590 1.153) 4.357 2.145 ( -3.584 1.566 -0.275) 3.920 2.189 ( -2.247 -2.308 6.511) 7.264 2.317 ( -6.280 3.046 6.221) 9.350 2.393 ( -8.484 -2.777 9.279) 12.876 2.487 ( -3.737 0.972 2.336) 4.513 2.530 ( -4.670 0.829 1.126) 4.874 2.710 ( -6.241 0.813 1.702) 6.520 2.951 ( -3.849 0.682 -1.972) 4.378 3.046 ( -2.122 -0.987 -2.058) 3.116 3.102 ( -4.475 -3.999 2.990) 6.705 3.182 ( -4.028 -2.693 3.450) 5.947 3.392 ( -5.231 -2.778 1.315) 6.067 5.171 ( 5.485 1.564 2.553) 6.249 5.289 ( 5.425 -2.707 3.608) 7.055 5.380 ( 2.007 1.833 0.683) 2.803 5.469 ( 2.821 -1.818 1.139) 3.545 5.729 ( -1.238 0.741 0.062) 1.444 5.810 ( -1.244 -0.708 0.547) 1.532 5.826 ( -0.685 0.511 0.204) 0.878 5.871 ( -0.815 -0.582 1.869) 2.121 5.922 ( 0.643 2.631 4.654) 5.385 6.055 ( 4.104 -2.248 4.664) 6.607 6.238 ( -0.137 5.527 4.925) 7.404 6.383 ( -0.792 -1.659 5.135) 5.454 6.454 ( -0.455 1.504 7.377) 7.543 6.577 ( -0.641 -2.728 2.902) 4.035 6.631 ( -2.305 1.865 3.753) 4.783 6.781 ( -4.322 -2.754 -0.334) 5.136 6.899 ( -5.879 -1.017 1.224) 6.090 6.931 ( -6.345 -1.621 1.299) 6.676 7.196 ( 1.802 3.274 4.453) 5.814 7.288 ( -1.166 -0.274 3.056) 3.283 7.883 ( -21.018 1.452 0.879) 21.086 7.935 ( -18.812 0.083 -0.049) 18.813 8.305 ( -6.293 0.728 -0.660) 6.369 8.482 ( -3.377 -7.600 -2.049) 8.565 ======================= Grid point 60 (31/102) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -13.947 5.128 5.069) 15.701 0.719 ( -8.504 9.785 9.247) 15.924 0.921 ( -6.800 -0.247 0.594) 6.831 0.948 ( -7.465 0.403 6.763) 10.081 0.982 ( -8.170 -0.191 8.161) 11.550 1.193 ( -18.307 9.803 10.515) 23.276 1.198 ( -9.623 -7.274 6.859) 13.877 1.401 ( -5.555 0.983 1.962) 5.973 1.757 ( -3.851 7.227 -0.580) 8.210 1.879 ( -0.103 -1.339 2.234) 2.607 1.921 ( 2.956 2.243 9.372) 10.080 1.995 ( -5.305 1.764 5.598) 7.912 2.106 ( 1.113 2.252 1.803) 3.092 2.179 ( -0.857 -3.432 6.431) 7.339 2.225 ( -6.339 -1.992 9.909) 11.930 2.252 ( -4.417 -0.905 8.662) 9.765 2.406 ( -5.387 0.172 -0.586) 5.422 2.493 ( 0.025 2.557 -0.158) 2.562 2.582 ( -5.382 0.598 0.776) 5.470 2.875 ( -2.269 -0.394 -5.804) 6.244 2.955 ( -3.689 3.148 -3.051) 5.730 3.069 ( -1.152 -7.572 4.784) 9.031 3.128 ( -1.838 -0.807 2.085) 2.894 3.305 ( -3.018 -3.127 2.764) 5.150 5.312 ( 6.345 1.967 3.564) 7.538 5.409 ( 1.557 1.977 0.448) 2.556 5.416 ( 4.516 -1.506 3.308) 5.797 5.519 ( 1.475 -2.197 0.926) 2.804 5.730 ( 1.224 0.152 0.141) 1.242 5.797 ( 0.181 -1.996 0.578) 2.086 5.823 ( 0.466 2.149 0.910) 2.380 5.866 ( 0.072 -0.726 1.450) 1.623 5.946 ( 0.610 3.131 5.899) 6.707 6.133 ( 1.872 -0.575 4.360) 4.780 6.271 ( 3.070 2.075 5.765) 6.853 6.345 ( -3.687 -1.068 5.816) 6.969 6.435 ( -2.669 1.398 3.499) 4.617 6.546 ( -8.710 0.543 4.181) 9.677 6.581 ( 0.056 -3.109 3.524) 4.700 6.626 ( -8.786 -3.908 3.117) 10.109 6.797 ( -1.596 1.562 -0.299) 2.253 6.857 ( -2.222 -0.993 0.357) 2.460 7.212 ( -0.875 1.282 2.624) 3.049 7.241 ( -3.332 0.696 0.942) 3.532 7.486 ( -15.146 0.815 2.881) 15.439 7.579 ( -13.948 -1.636 1.963) 14.180 8.205 ( -3.123 -0.015 -1.549) 3.486 8.331 ( -11.131 -9.069 -6.787) 15.882 ======================= Grid point 61 (32/102) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 5.958 -8.161 5.026) 11.285 0.681 ( 5.958 8.161 5.026) 11.285 0.840 ( -5.035 -6.336 10.196) 13.017 0.840 ( -5.035 6.336 10.196) 13.017 0.960 ( 1.035 -3.875 8.745) 9.621 0.960 ( 1.035 3.875 8.745) 9.621 1.271 ( 0.248 -9.960 3.939) 10.714 1.271 ( 0.248 9.960 3.939) 10.714 1.858 ( -0.278 -2.802 1.323) 3.111 1.858 ( -0.278 2.802 1.323) 3.111 1.987 ( -4.387 -5.354 9.561) 11.803 1.987 ( -4.387 5.354 9.561) 11.803 2.047 ( -3.401 -6.096 -0.022) 6.980 2.047 ( -3.401 6.096 -0.022) 6.980 2.207 ( 2.662 -1.078 7.918) 8.423 2.207 ( 2.662 1.078 7.918) 8.423 2.410 ( -0.649 -4.269 -1.877) 4.708 2.410 ( -0.649 4.269 -1.877) 4.708 2.695 ( -0.407 -11.185 0.328) 11.197 2.695 ( -0.407 11.185 0.328) 11.197 2.995 ( 1.151 -3.231 -1.905) 3.924 2.995 ( 1.151 3.231 -1.905) 3.924 3.173 ( 0.589 -6.601 4.264) 7.880 3.173 ( 0.589 6.601 4.264) 7.880 5.428 ( -1.324 -1.778 2.636) 3.444 5.428 ( -1.324 1.778 2.636) 3.444 5.488 ( 1.181 -1.981 0.965) 2.500 5.488 ( 1.181 1.981 0.965) 2.500 5.777 ( 1.708 -1.624 0.793) 2.487 5.777 ( 1.708 1.624 0.793) 2.487 5.879 ( 1.375 -0.320 0.869) 1.657 5.879 ( 1.375 0.320 0.869) 1.657 6.067 ( -3.018 -6.982 4.674) 8.928 6.067 ( -3.018 6.982 4.674) 8.928 6.322 ( -2.610 -2.322 2.449) 4.266 6.322 ( -2.610 2.322 2.449) 4.266 6.351 ( -2.518 -0.945 3.180) 4.165 6.351 ( -2.518 0.945 3.180) 4.165 6.548 ( 0.956 -0.805 7.584) 7.686 6.548 ( 0.956 0.805 7.584) 7.686 6.816 ( 0.083 -0.959 -0.208) 0.985 6.816 ( 0.083 0.959 -0.208) 0.985 7.205 ( 0.554 -2.349 -1.173) 2.684 7.205 ( 0.554 2.349 -1.173) 2.684 7.340 ( -1.840 -0.503 5.843) 6.146 7.340 ( -1.840 0.503 5.843) 6.146 8.140 ( -1.312 -1.928 -3.649) 4.331 8.140 ( -1.312 1.928 -3.649) 4.331 ======================= Grid point 63 (33/102) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 2.187 -6.874 6.185) 9.502 0.800 ( 2.187 6.874 6.185) 9.502 0.940 ( 8.234 -4.577 6.205) 11.281 0.940 ( 8.234 4.577 6.205) 11.281 1.112 ( 12.229 -1.564 9.165) 15.362 1.112 ( 12.229 1.564 9.165) 15.362 1.417 ( 12.100 -9.616 3.228) 15.789 1.417 ( 12.100 9.616 3.228) 15.789 1.809 ( -3.422 -1.958 -0.719) 4.007 1.809 ( -3.422 1.958 -0.719) 4.007 1.947 ( -0.362 -4.037 9.831) 10.634 1.947 ( -0.362 4.037 9.831) 10.634 2.028 ( 1.888 -4.372 0.076) 4.763 2.028 ( 1.888 4.372 0.076) 4.763 2.280 ( 2.289 -2.810 3.298) 4.900 2.280 ( 2.289 2.810 3.298) 4.900 2.453 ( 5.027 -2.189 1.831) 5.781 2.453 ( 5.027 2.189 1.831) 5.781 2.716 ( 2.089 -11.795 2.905) 12.326 2.716 ( 2.089 11.795 2.905) 12.326 3.018 ( 1.294 -2.831 -0.461) 3.146 3.018 ( 1.294 2.831 -0.461) 3.146 3.222 ( 2.655 -7.512 2.640) 8.394 3.222 ( 2.655 7.512 2.640) 8.394 5.353 ( -5.534 -2.159 2.976) 6.644 5.353 ( -5.534 2.159 2.976) 6.644 5.499 ( -0.918 -1.994 1.744) 2.803 5.499 ( -0.918 1.994 1.744) 2.803 5.814 ( 1.256 -2.230 1.581) 3.009 5.814 ( 1.256 2.230 1.581) 3.009 5.897 ( 0.224 -1.827 0.270) 1.861 5.897 ( 0.224 1.827 0.270) 1.861 5.996 ( -3.684 -5.657 4.701) 8.227 5.996 ( -3.684 5.657 4.701) 8.227 6.225 ( -2.425 -1.686 3.542) 4.612 6.225 ( -2.425 1.686 3.542) 4.612 6.443 ( 4.494 -6.397 2.370) 8.169 6.443 ( 4.494 6.397 2.370) 8.169 6.608 ( 3.639 -1.475 5.205) 6.520 6.608 ( 3.639 1.475 5.205) 6.520 6.840 ( 2.161 -1.116 0.596) 2.504 6.840 ( 2.161 1.116 0.596) 2.504 7.208 ( -0.758 -1.591 0.265) 1.782 7.208 ( -0.758 1.591 0.265) 1.782 7.505 ( 15.344 -2.562 1.882) 15.670 7.505 ( 15.344 2.562 1.882) 15.670 8.153 ( 3.382 -1.246 -4.570) 5.821 8.153 ( 3.382 1.246 -4.570) 5.821 ======================= Grid point 65 (34/102) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 4.796 -3.685 1.304) 6.188 0.885 ( 4.796 3.685 1.304) 6.188 1.062 ( 3.921 -5.399 4.026) 7.793 1.062 ( 3.921 5.399 4.026) 7.793 1.408 ( 11.156 -2.333 8.177) 14.027 1.408 ( 11.156 2.333 8.177) 14.027 1.653 ( 6.226 -1.838 7.300) 9.769 1.653 ( 6.226 1.838 7.300) 9.769 1.784 ( 2.133 -1.243 -1.580) 2.931 1.784 ( 2.133 1.243 -1.580) 2.931 2.017 ( 4.177 -2.732 1.045) 5.099 2.017 ( 4.177 2.732 1.045) 5.099 2.142 ( 9.289 -1.616 2.064) 9.652 2.142 ( 9.289 1.616 2.064) 9.652 2.329 ( 2.507 -2.191 3.259) 4.659 2.329 ( 2.507 2.191 3.259) 4.659 2.599 ( 7.137 -1.804 5.323) 9.085 2.599 ( 7.137 1.804 5.323) 9.085 2.781 ( 3.113 -7.351 2.548) 8.380 2.781 ( 3.113 7.351 2.548) 8.380 3.050 ( 1.597 -2.311 2.556) 3.798 3.050 ( 1.597 2.311 2.556) 3.798 3.291 ( 3.822 -7.787 0.407) 8.684 3.291 ( 3.822 7.787 0.407) 8.684 5.243 ( -5.538 -1.387 3.356) 6.622 5.243 ( -5.538 1.387 3.356) 6.622 5.453 ( -3.547 -2.125 2.182) 4.675 5.453 ( -3.547 2.125 2.182) 4.675 5.837 ( 0.844 -2.692 1.283) 3.099 5.837 ( 0.844 2.692 1.283) 3.099 5.893 ( -0.879 -3.196 1.038) 3.474 5.893 ( -0.879 3.196 1.038) 3.474 5.949 ( -2.024 -4.546 5.645) 7.525 5.949 ( -2.024 4.546 5.645) 7.525 6.228 ( 0.949 -1.807 2.607) 3.310 6.228 ( 0.949 1.807 2.607) 3.310 6.492 ( -0.169 -5.199 5.007) 7.220 6.492 ( -0.169 5.199 5.007) 7.220 6.725 ( 5.782 -5.768 1.738) 8.350 6.725 ( 5.782 5.768 1.738) 8.350 6.902 ( 3.435 -0.670 1.908) 3.986 6.902 ( 3.435 0.670 1.908) 3.986 7.173 ( -2.618 -1.063 -0.519) 2.873 7.173 ( -2.618 1.063 -0.519) 2.873 7.895 ( 20.136 -1.684 -0.001) 20.207 7.895 ( 20.136 1.684 -0.001) 20.207 8.251 ( 6.872 -0.727 -4.364) 8.173 8.251 ( 6.872 0.727 -4.364) 8.173 ======================= Grid point 67 (35/102) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 3.031 -2.401 -0.252) 3.875 0.973 ( 3.031 2.401 -0.252) 3.875 1.146 ( 3.167 -3.393 3.189) 5.631 1.146 ( 3.167 3.393 3.189) 5.631 1.560 ( 2.166 -6.017 4.882) 8.046 1.560 ( 2.166 6.017 4.882) 8.046 1.750 ( 2.942 -5.312 10.912) 12.488 1.750 ( 2.942 5.312 10.912) 12.488 1.850 ( 3.185 -1.902 -2.102) 4.263 1.850 ( 3.185 1.902 -2.102) 4.263 2.080 ( 1.483 -1.309 -1.497) 2.480 2.080 ( 1.483 1.309 -1.497) 2.480 2.286 ( 2.938 -2.276 0.533) 3.754 2.286 ( 2.938 2.276 0.533) 3.754 2.450 ( 7.251 -3.681 -0.042) 8.132 2.450 ( 7.251 3.681 -0.042) 8.132 2.729 ( 3.401 -4.254 7.560) 9.318 2.729 ( 3.401 4.254 7.560) 9.318 2.855 ( 3.389 -5.207 1.966) 6.516 2.855 ( 3.389 5.207 1.966) 6.516 3.092 ( 1.170 -3.079 5.288) 6.230 3.092 ( 1.170 3.079 5.288) 6.230 3.378 ( 4.175 -6.922 -0.755) 8.119 3.378 ( 4.175 6.922 -0.755) 8.119 5.148 ( -4.145 -1.352 3.312) 5.475 5.148 ( -4.145 1.352 3.312) 5.475 5.389 ( -2.694 -2.354 2.195) 4.197 5.389 ( -2.694 2.354 2.195) 4.197 5.854 ( 0.115 -2.793 1.398) 3.126 5.854 ( 0.115 2.793 1.398) 3.126 5.869 ( -1.279 -1.459 3.609) 4.098 5.869 ( -1.279 1.459 3.609) 4.098 5.934 ( -0.755 -2.270 3.159) 3.963 5.934 ( -0.755 2.270 3.159) 3.963 6.252 ( 0.739 -2.650 2.667) 3.832 6.252 ( 0.739 2.650 2.667) 3.832 6.486 ( -1.268 -5.288 5.845) 7.984 6.486 ( -1.268 5.288 5.845) 7.984 6.818 ( 2.510 -8.709 -0.090) 9.064 6.818 ( 2.510 8.709 -0.090) 9.064 6.983 ( 3.340 -2.149 3.578) 5.346 6.983 ( 3.340 2.149 3.578) 5.346 7.112 ( -2.512 -2.220 0.325) 3.368 7.112 ( -2.512 2.220 0.325) 3.368 8.268 ( 14.508 -1.007 -0.304) 14.547 8.268 ( 14.508 1.007 -0.304) 14.547 8.389 ( 6.181 -0.332 -2.754) 6.775 8.389 ( 6.181 0.332 -2.754) 6.775 ======================= Grid point 69 (36/102) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.518 -1.622 1.472) 2.251 1.009 ( 0.518 1.622 1.472) 2.251 1.187 ( -0.214 -0.402 2.469) 2.511 1.187 ( -0.214 0.402 2.469) 2.511 1.559 ( -2.857 -7.757 2.808) 8.730 1.559 ( -2.857 7.757 2.808) 8.730 1.789 ( -2.163 -3.951 7.154) 8.454 1.789 ( -2.163 3.951 7.154) 8.454 1.896 ( 0.929 -4.999 1.308) 5.250 1.896 ( 0.929 4.999 1.308) 5.250 2.085 ( 0.722 -0.707 -1.636) 1.922 2.085 ( 0.722 0.707 -1.636) 1.922 2.309 ( -1.161 -2.184 0.922) 2.640 2.309 ( -1.161 2.184 0.922) 2.640 2.539 ( 1.963 -2.064 -3.149) 4.246 2.539 ( 1.963 2.064 -3.149) 4.246 2.759 ( -2.912 -5.801 6.302) 9.047 2.759 ( -2.912 5.801 6.302) 9.047 2.910 ( 0.963 -8.733 3.896) 9.611 2.910 ( 0.963 8.733 3.896) 9.611 3.107 ( -1.284 -2.284 5.703) 6.276 3.107 ( -1.284 2.284 5.703) 6.276 3.429 ( 0.311 -6.285 -0.859) 6.351 3.429 ( 0.311 6.285 -0.859) 6.351 5.100 ( -1.018 -1.851 3.252) 3.878 5.100 ( -1.018 1.851 3.252) 3.878 5.360 ( -0.527 -2.178 2.040) 3.031 5.360 ( -0.527 2.178 2.040) 3.031 5.834 ( -1.756 -0.742 2.707) 3.311 5.834 ( -1.756 0.742 2.707) 3.311 5.875 ( 0.211 -0.780 1.890) 2.056 5.875 ( 0.211 0.780 1.890) 2.056 5.926 ( -0.512 -1.668 2.568) 3.105 5.926 ( -0.512 1.668 2.568) 3.105 6.278 ( 1.200 -3.278 3.505) 4.947 6.278 ( 1.200 3.278 3.505) 4.947 6.480 ( -0.561 -5.384 6.057) 8.124 6.480 ( -0.561 5.384 6.057) 8.124 6.824 ( -1.460 -7.823 -1.417) 8.084 6.824 ( -1.460 7.823 -1.417) 8.084 7.025 ( -0.643 -3.367 3.128) 4.640 7.025 ( -0.643 3.367 3.128) 4.640 7.119 ( 3.153 -3.165 3.855) 5.901 7.119 ( 3.153 3.165 3.855) 5.901 8.433 ( -1.036 -1.494 -0.980) 2.066 8.433 ( -1.036 1.494 -0.980) 2.066 8.470 ( 3.338 -1.763 -0.117) 3.777 8.470 ( 3.338 1.763 -0.117) 3.777 ======================= Grid point 71 (37/102) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -2.513 -2.956 2.546) 4.641 0.998 ( -2.513 2.956 2.546) 4.641 1.150 ( -3.639 -2.541 2.885) 5.294 1.150 ( -3.639 2.541 2.885) 5.294 1.453 ( -7.844 -7.808 1.476) 11.165 1.453 ( -7.844 7.808 1.476) 11.165 1.696 ( -6.912 -2.721 4.477) 8.673 1.696 ( -6.912 2.721 4.477) 8.673 1.907 ( -0.005 -4.140 1.090) 4.281 1.907 ( -0.005 4.140 1.090) 4.281 2.105 ( -0.071 -2.202 1.922) 2.924 2.105 ( -0.071 2.202 1.922) 2.924 2.245 ( -4.391 -0.336 0.625) 4.448 2.245 ( -4.391 0.336 0.625) 4.448 2.518 ( -4.467 -1.231 1.136) 4.771 2.518 ( -4.467 1.231 1.136) 4.771 2.638 ( -8.544 -3.895 4.714) 10.506 2.638 ( -8.544 3.895 4.714) 10.506 2.909 ( -2.088 -9.753 3.503) 10.571 2.909 ( -2.088 9.753 3.503) 10.571 3.070 ( -2.965 -3.232 3.982) 5.925 3.070 ( -2.965 3.232 3.982) 5.925 3.383 ( -4.230 -6.811 -0.320) 8.024 3.383 ( -4.230 6.811 -0.320) 8.024 5.125 ( 2.690 -2.671 3.207) 4.966 5.125 ( 2.690 2.671 3.207) 4.966 5.376 ( 1.581 -1.993 1.643) 3.028 5.376 ( 1.581 1.993 1.643) 3.028 5.799 ( -1.995 -1.513 0.647) 2.586 5.799 ( -1.995 1.513 0.647) 2.586 5.871 ( -0.905 -0.780 1.540) 1.949 5.871 ( -0.905 0.780 1.540) 1.949 5.942 ( 1.453 -2.201 3.799) 4.624 5.942 ( 1.453 2.201 3.799) 4.624 6.315 ( 1.134 -3.528 4.610) 5.915 6.315 ( 1.134 3.528 4.610) 5.915 6.490 ( 0.043 -4.437 5.957) 7.428 6.490 ( 0.043 4.437 5.957) 7.428 6.773 ( -2.783 -5.986 -0.766) 6.646 6.773 ( -2.783 5.986 -0.766) 6.646 6.990 ( -3.395 -2.463 2.813) 5.050 6.990 ( -3.395 2.463 2.813) 5.050 7.208 ( 3.510 -3.827 4.293) 6.738 7.208 ( 3.510 3.827 4.293) 6.738 8.279 ( -13.227 -0.642 -0.048) 13.243 8.279 ( -13.227 0.642 -0.048) 13.243 8.462 ( -3.722 -2.368 -0.025) 4.411 8.462 ( -3.722 2.368 -0.025) 4.411 ======================= Grid point 73 (38/102) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -7.879 -1.700 2.560) 8.457 0.897 ( -7.879 1.700 2.560) 8.457 1.070 ( -4.751 -0.838 4.035) 6.290 1.070 ( -4.751 0.838 4.035) 6.290 1.255 ( -11.177 -7.759 3.561) 14.064 1.255 ( -11.176 7.759 3.561) 14.064 1.560 ( -7.616 -1.814 2.691) 8.279 1.560 ( -7.616 1.814 2.691) 8.279 1.882 ( -2.503 -2.228 -0.630) 3.410 1.882 ( -2.503 2.228 -0.630) 3.410 2.053 ( -4.950 -6.730 8.340) 11.805 2.053 ( -4.950 6.730 8.340) 11.805 2.173 ( -2.768 -1.062 1.020) 3.136 2.173 ( -2.768 1.062 1.020) 3.136 2.361 ( -9.712 -1.029 9.334) 13.510 2.361 ( -9.712 1.029 9.334) 13.510 2.510 ( -4.173 -1.808 0.159) 4.551 2.510 ( -4.173 1.808 0.159) 4.551 2.833 ( -5.546 -10.348 2.568) 12.018 2.833 ( -5.546 10.348 2.568) 12.018 3.023 ( -1.856 -1.536 0.222) 2.419 3.023 ( -1.856 1.536 0.222) 2.419 3.281 ( -5.047 -6.945 0.888) 8.631 3.281 ( -5.047 6.945 0.888) 8.631 5.223 ( 5.848 -3.236 3.605) 7.594 5.223 ( 5.848 3.236 3.605) 7.594 5.425 ( 2.461 -2.301 0.996) 3.514 5.425 ( 2.461 2.301 0.996) 3.514 5.762 ( -1.310 -2.328 -0.514) 2.720 5.762 ( -1.310 2.328 -0.514) 2.720 5.855 ( -0.830 -1.086 1.599) 2.104 5.855 ( -0.830 1.086 1.599) 2.104 5.995 ( 2.517 -3.660 4.327) 6.200 5.995 ( 2.517 3.660 4.327) 6.200 6.335 ( -0.582 -3.508 5.854) 6.849 6.335 ( -0.582 3.508 5.854) 6.849 6.498 ( -0.802 -3.229 5.298) 6.256 6.498 ( -0.802 3.229 5.298) 6.256 6.705 ( -4.313 -4.206 1.415) 6.188 6.705 ( -4.313 4.206 1.415) 6.188 6.900 ( -5.161 -0.968 1.369) 5.426 6.900 ( -5.161 0.968 1.369) 5.426 7.260 ( 0.365 -2.425 2.965) 3.848 7.260 ( 0.365 2.425 2.965) 3.848 7.920 ( -20.112 -1.648 0.822) 20.196 7.920 ( -20.112 1.648 0.822) 20.196 8.350 ( -6.191 -4.210 -1.134) 7.572 8.350 ( -6.191 4.210 -1.134) 7.572 ======================= Grid point 75 (39/102) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -8.333 -5.375 2.606) 10.253 0.717 ( -8.333 5.375 2.606) 10.253 0.969 ( -5.999 -1.329 3.740) 7.193 0.969 ( -5.999 1.329 3.740) 7.193 1.037 ( -10.498 -7.768 10.112) 16.517 1.037 ( -10.498 7.768 10.112) 16.517 1.371 ( -9.708 -5.236 3.801) 11.667 1.371 ( -9.708 5.236 3.801) 11.667 1.852 ( 0.179 -1.589 -0.961) 1.866 1.852 ( 0.179 1.589 -0.961) 1.866 2.010 ( -1.324 -4.053 11.051) 11.845 2.010 ( -1.324 4.053 11.051) 11.845 2.117 ( -3.073 -0.870 3.596) 4.809 2.117 ( -3.073 0.870 3.596) 4.809 2.216 ( -5.875 -1.614 8.132) 10.161 2.216 ( -5.875 1.614 8.132) 10.161 2.451 ( -2.086 -3.718 -1.277) 4.451 2.451 ( -2.086 3.718 -1.277) 4.451 2.732 ( -3.668 -10.819 1.166) 11.483 2.732 ( -3.668 10.819 1.166) 11.483 2.993 ( -0.638 -1.633 -2.119) 2.750 2.993 ( -0.638 1.633 -2.119) 2.750 3.195 ( -3.322 -6.183 2.846) 7.573 3.195 ( -3.322 6.183 2.846) 7.573 5.365 ( 5.961 -2.870 3.804) 7.631 5.365 ( 5.961 2.870 3.804) 7.631 5.465 ( 1.114 -2.884 0.324) 3.109 5.465 ( 1.114 2.884 0.324) 3.109 5.752 ( 0.479 -1.853 -0.174) 1.922 5.752 ( 0.479 1.853 -0.174) 1.922 5.852 ( 0.450 -0.721 1.465) 1.694 5.852 ( 0.450 0.721 1.465) 1.694 6.058 ( 2.111 -5.849 4.611) 7.741 6.058 ( 2.111 5.849 4.611) 7.741 6.319 ( -1.791 -1.787 5.699) 6.235 6.319 ( -1.791 1.787 5.699) 6.235 6.477 ( -3.041 -3.657 3.520) 5.917 6.477 ( -3.041 3.657 3.520) 5.917 6.581 ( -7.085 -2.032 5.186) 9.012 6.581 ( -7.085 2.032 5.186) 9.012 6.829 ( -1.479 -1.556 -0.137) 2.151 6.829 ( -1.479 1.556 -0.137) 2.151 7.238 ( -2.544 -0.956 0.826) 2.840 7.238 ( -2.544 0.956 0.826) 2.840 7.526 ( -16.175 -2.840 2.988) 16.692 7.526 ( -16.175 2.840 2.988) 16.692 8.221 ( -5.353 -2.154 -2.690) 6.367 8.221 ( -5.353 2.154 -2.690) 6.367 ======================= Grid point 85 (40/102) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 4.423 0.000 12.269) 13.042 0.608 ( -4.063 0.000 13.368) 13.972 0.937 ( -0.791 0.000 6.132) 6.182 0.999 ( 3.139 0.000 2.675) 4.124 1.058 ( 3.143 0.000 5.751) 6.554 1.203 ( -2.899 0.000 13.209) 13.523 1.431 ( 3.763 0.000 4.659) 5.988 1.487 ( -4.457 0.000 11.966) 12.769 1.620 ( -1.037 0.000 2.243) 2.471 1.962 ( -10.328 0.000 2.150) 10.549 1.967 ( -3.034 0.000 -0.531) 3.080 2.039 ( 1.957 0.000 5.025) 5.393 2.217 ( 5.607 0.000 -1.529) 5.812 2.264 ( -8.182 0.000 5.329) 9.764 2.362 ( -5.441 0.000 1.781) 5.725 2.402 ( 2.368 0.000 1.812) 2.981 2.444 ( 3.626 0.000 2.599) 4.462 2.491 ( -3.420 0.000 9.022) 9.648 2.592 ( 1.481 0.000 14.418) 14.494 2.643 ( 0.612 0.000 -8.441) 8.463 2.882 ( 2.614 0.000 -0.508) 2.663 3.147 ( 0.173 0.000 4.196) 4.200 3.376 ( 0.178 0.000 10.999) 11.001 3.434 ( -0.428 0.000 7.835) 7.847 5.430 ( -0.731 0.000 2.748) 2.843 5.441 ( 1.712 0.000 2.134) 2.735 5.561 ( -0.236 0.000 3.067) 3.076 5.613 ( 1.187 0.000 2.370) 2.650 5.783 ( 1.332 0.000 0.317) 1.369 5.806 ( -3.775 0.000 1.144) 3.944 5.866 ( 0.587 0.000 0.572) 0.819 5.868 ( 2.154 0.000 -0.152) 2.159 6.124 ( -0.773 0.000 3.744) 3.823 6.179 ( 0.798 0.000 0.778) 1.114 6.329 ( -2.423 0.000 4.291) 4.928 6.367 ( -7.443 0.000 7.460) 10.538 6.423 ( -8.168 0.000 4.760) 9.454 6.552 ( 8.717 0.000 5.335) 10.220 6.600 ( -5.663 0.000 0.428) 5.679 6.771 ( 0.615 0.000 0.901) 1.091 6.810 ( 0.183 0.000 8.394) 8.396 6.815 ( 0.703 0.000 -0.771) 1.043 7.111 ( -1.008 0.000 -1.159) 1.536 7.201 ( 3.967 0.000 -4.249) 5.812 7.483 ( -4.273 0.000 8.214) 9.259 7.610 ( 2.191 0.000 5.482) 5.903 7.991 ( -6.239 0.000 -1.661) 6.456 8.112 ( -1.193 0.000 -3.434) 3.635 ======================= Grid point 86 (41/102) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 4.726 0.000 11.430) 12.369 0.782 ( 6.574 0.000 8.447) 10.704 1.055 ( 7.867 0.000 6.262) 10.055 1.121 ( 2.215 0.000 6.161) 6.547 1.241 ( 12.102 0.000 5.945) 13.484 1.332 ( 10.469 0.000 7.170) 12.689 1.434 ( 4.695 0.000 13.959) 14.728 1.589 ( 10.351 0.000 2.427) 10.632 1.700 ( 7.227 0.000 3.031) 7.837 1.793 ( -4.361 0.000 -2.367) 4.962 1.893 ( -2.711 0.000 -2.701) 3.827 2.101 ( -1.836 0.000 -1.390) 2.303 2.143 ( 0.436 0.000 10.809) 10.818 2.253 ( -4.188 0.000 -0.349) 4.203 2.292 ( 2.605 0.000 -2.072) 3.329 2.398 ( -1.831 0.000 3.538) 3.984 2.565 ( 3.733 0.000 15.761) 16.197 2.598 ( 9.534 0.000 3.910) 10.305 2.687 ( 5.055 0.000 -3.780) 6.312 2.697 ( 6.729 0.000 6.921) 9.653 2.943 ( 2.791 0.000 -2.048) 3.462 3.155 ( -0.714 0.000 5.557) 5.602 3.421 ( 1.428 0.000 10.604) 10.700 3.452 ( 0.493 0.000 6.944) 6.961 5.388 ( -3.096 0.000 1.098) 3.285 5.473 ( 0.135 0.000 2.334) 2.338 5.496 ( -6.183 0.000 3.337) 7.026 5.615 ( -2.034 0.000 2.569) 3.277 5.743 ( -1.853 0.000 1.099) 2.154 5.819 ( 1.740 0.000 1.002) 2.008 5.885 ( 1.126 0.000 0.765) 1.361 5.900 ( 0.643 0.000 -0.140) 0.658 6.113 ( -0.874 0.000 2.307) 2.467 6.120 ( -4.324 0.000 3.552) 5.596 6.290 ( -1.329 0.000 6.900) 7.027 6.318 ( -3.877 0.000 7.308) 8.272 6.394 ( 6.138 0.000 5.935) 8.538 6.543 ( 1.076 0.000 -0.619) 1.241 6.781 ( 10.711 0.000 3.403) 11.239 6.796 ( -2.998 0.000 8.524) 9.036 6.843 ( 6.250 0.000 2.454) 6.715 6.853 ( 2.762 0.000 -0.351) 2.784 7.115 ( 0.415 0.000 0.010) 0.415 7.276 ( -2.165 0.000 -0.393) 2.200 7.541 ( 12.772 0.000 5.119) 13.760 7.735 ( 8.712 0.000 4.124) 9.639 7.979 ( 4.403 0.000 -3.013) 5.336 8.108 ( 2.010 0.000 -3.087) 3.683 ======================= Grid point 87 (42/102) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 8.375 0.000 8.908) 12.227 0.890 ( 4.484 0.000 2.811) 5.292 1.075 ( -3.008 0.000 8.829) 9.327 1.193 ( 3.730 0.000 5.912) 6.990 1.512 ( 9.875 0.000 7.040) 12.127 1.574 ( 11.199 0.000 1.692) 11.326 1.733 ( 8.989 0.000 5.553) 10.566 1.763 ( 5.636 0.000 0.360) 5.647 1.798 ( 5.680 0.000 -0.683) 5.721 1.887 ( 5.703 0.000 -4.783) 7.444 1.901 ( 9.298 0.000 3.385) 9.895 2.051 ( -0.093 0.000 0.052) 0.107 2.180 ( -2.725 0.000 2.600) 3.766 2.248 ( 5.074 0.000 4.691) 6.911 2.327 ( 1.166 0.000 0.192) 1.182 2.380 ( -0.542 0.000 0.793) 0.961 2.671 ( 2.786 0.000 15.282) 15.534 2.796 ( 8.127 0.000 1.024) 8.191 2.850 ( 9.722 0.000 5.863) 11.353 2.865 ( 5.951 0.000 5.154) 7.872 3.011 ( 6.047 0.000 -2.172) 6.426 3.140 ( -1.931 0.000 5.774) 6.089 3.482 ( 2.099 0.000 9.609) 9.835 3.493 ( 1.909 0.000 6.364) 6.644 5.320 ( -3.485 0.000 0.308) 3.499 5.359 ( -7.177 0.000 3.607) 8.032 5.449 ( -2.549 0.000 2.166) 3.345 5.543 ( -4.727 0.000 1.975) 5.122 5.731 ( 0.203 0.000 1.656) 1.669 5.849 ( 0.778 0.000 2.560) 2.675 5.903 ( 0.103 0.000 -0.398) 0.411 5.912 ( 0.825 0.000 1.847) 2.023 6.065 ( -2.294 0.000 4.770) 5.293 6.098 ( -0.953 0.000 -0.365) 1.021 6.255 ( -4.185 0.000 8.816) 9.759 6.325 ( 2.326 0.000 5.246) 5.738 6.546 ( 5.097 0.000 9.692) 10.950 6.606 ( 3.247 0.000 2.494) 4.094 6.751 ( -2.596 0.000 8.575) 8.959 6.922 ( 3.611 0.000 1.321) 3.845 6.977 ( 7.159 0.000 1.329) 7.281 7.012 ( 8.208 0.000 3.417) 8.891 7.109 ( -1.129 0.000 0.678) 1.317 7.180 ( -5.325 0.000 2.791) 6.012 7.914 ( 19.342 0.000 1.970) 19.442 7.987 ( 14.367 0.000 2.357) 14.559 8.124 ( 10.027 0.000 -4.654) 11.055 8.195 ( 6.954 0.000 -2.770) 7.486 ======================= Grid point 88 (43/102) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 2.648 0.000 1.926) 3.274 1.008 ( 7.261 0.000 7.148) 10.189 1.114 ( 4.322 0.000 4.917) 6.546 1.250 ( 0.931 0.000 5.285) 5.366 1.603 ( -2.663 0.000 7.976) 8.408 1.764 ( 4.003 0.000 -2.968) 4.984 1.809 ( 5.617 0.000 2.192) 6.030 1.855 ( 2.489 0.000 -2.351) 3.424 1.875 ( 0.255 0.000 6.725) 6.729 2.023 ( 4.479 0.000 -4.047) 6.037 2.064 ( 4.794 0.000 -1.595) 5.052 2.102 ( 4.570 0.000 -2.468) 5.194 2.183 ( 1.707 0.000 5.374) 5.639 2.332 ( -1.619 0.000 0.359) 1.658 2.338 ( 1.351 0.000 3.824) 4.056 2.391 ( 3.095 0.000 -4.593) 5.538 2.740 ( 1.119 0.000 12.951) 12.999 2.935 ( 3.847 0.000 5.262) 6.518 2.959 ( 2.291 0.000 5.322) 5.795 3.034 ( 4.370 0.000 8.779) 9.807 3.132 ( 1.681 0.000 3.275) 3.681 3.164 ( 6.863 0.000 -1.140) 6.957 3.548 ( 1.735 0.000 9.206) 9.368 3.551 ( 1.882 0.000 6.306) 6.581 5.234 ( -5.514 0.000 4.510) 7.123 5.259 ( -2.202 0.000 0.947) 2.397 5.393 ( -3.110 0.000 2.743) 4.146 5.466 ( -2.576 0.000 0.836) 2.708 5.755 ( 1.602 0.000 1.610) 2.271 5.859 ( -0.560 0.000 1.619) 1.713 5.905 ( 0.053 0.000 0.035) 0.063 5.919 ( -0.674 0.000 2.195) 2.296 6.033 ( -2.021 0.000 4.415) 4.856 6.085 ( 0.212 0.000 -0.926) 0.950 6.191 ( -3.845 0.000 9.208) 9.978 6.383 ( 2.152 0.000 4.482) 4.971 6.601 ( -2.203 0.000 14.400) 14.567 6.655 ( 0.716 0.000 4.363) 4.422 6.766 ( 1.795 0.000 7.105) 7.329 6.989 ( 1.472 0.000 1.955) 2.447 7.051 ( -0.396 0.000 0.770) 0.866 7.061 ( -2.158 0.000 0.431) 2.200 7.138 ( 1.708 0.000 2.919) 3.381 7.182 ( 6.212 0.000 5.573) 8.345 8.256 ( 11.508 0.000 0.498) 11.519 8.287 ( 12.286 0.000 1.384) 12.364 8.348 ( 11.570 0.000 -2.536) 11.845 8.351 ( 7.563 0.000 -2.310) 7.908 ======================= Grid point 89 (44/102) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 1.062 0.000 5.230) 5.336 1.124 ( 1.907 0.000 6.715) 6.980 1.201 ( 1.966 0.000 1.938) 2.761 1.278 ( 0.956 0.000 3.856) 3.973 1.494 ( -8.776 0.000 8.125) 11.960 1.764 ( -2.051 0.000 -1.643) 2.628 1.861 ( -2.299 0.000 -2.089) 3.106 1.862 ( -0.551 0.000 -0.473) 0.727 1.901 ( -0.643 0.000 7.518) 7.546 2.055 ( 0.131 0.000 -4.740) 4.742 2.149 ( 2.561 0.000 -2.341) 3.470 2.151 ( 0.260 0.000 -1.179) 1.208 2.207 ( -0.785 0.000 2.164) 2.302 2.284 ( -0.142 0.000 2.584) 2.587 2.356 ( 0.648 0.000 0.754) 0.994 2.456 ( 3.359 0.000 -4.407) 5.541 2.752 ( -4.638 0.000 13.410) 14.189 2.966 ( -2.664 0.000 4.261) 5.025 2.979 ( -0.737 0.000 10.167) 10.194 3.065 ( -1.364 0.000 4.117) 4.337 3.193 ( 0.540 0.000 4.088) 4.124 3.239 ( 0.272 0.000 -1.081) 1.115 3.579 ( -1.238 0.000 9.195) 9.278 3.586 ( -0.243 0.000 6.412) 6.416 5.159 ( -2.617 0.000 4.871) 5.530 5.248 ( 0.813 0.000 2.930) 3.041 5.351 ( -1.267 0.000 2.242) 2.575 5.439 ( -0.252 0.000 0.638) 0.686 5.799 ( 2.158 0.000 1.215) 2.476 5.831 ( -2.211 0.000 1.086) 2.463 5.898 ( -1.611 0.000 1.808) 2.422 5.902 ( -0.556 0.000 0.119) 0.569 6.003 ( -1.658 0.000 3.829) 4.172 6.106 ( 1.824 0.000 -0.505) 1.892 6.149 ( -2.106 0.000 9.294) 9.529 6.446 ( 3.059 0.000 4.500) 5.441 6.578 ( -2.473 0.000 12.169) 12.418 6.672 ( 0.015 0.000 5.937) 5.937 6.799 ( -0.715 0.000 7.568) 7.602 6.948 ( -4.149 0.000 -0.177) 4.153 7.056 ( 0.003 0.000 3.667) 3.667 7.076 ( 2.892 0.000 3.729) 4.719 7.177 ( 0.475 0.000 1.921) 1.979 7.302 ( 3.991 0.000 4.599) 6.089 8.376 ( -0.116 0.000 -0.274) 0.298 8.411 ( -0.752 0.000 -0.467) 0.885 8.468 ( 2.500 0.000 -0.596) 2.570 8.523 ( 4.723 0.000 -1.018) 4.832 ======================= Grid point 90 (45/102) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.174 0.000 6.954) 6.956 1.131 ( -2.555 0.000 7.344) 7.776 1.179 ( -4.397 0.000 3.218) 5.448 1.264 ( -6.653 0.000 4.779) 8.191 1.319 ( -6.520 0.000 6.052) 8.896 1.684 ( -5.424 0.000 -0.549) 5.452 1.741 ( -8.343 0.000 -2.080) 8.598 1.827 ( -3.335 0.000 -0.914) 3.458 1.852 ( -4.672 0.000 2.949) 5.525 2.019 ( -1.998 0.000 -3.645) 4.157 2.068 ( -5.098 0.000 -0.057) 5.098 2.151 ( 0.044 0.000 1.568) 1.569 2.257 ( 0.993 0.000 7.477) 7.543 2.346 ( 4.129 0.000 1.775) 4.495 2.361 ( -0.308 0.000 0.294) 0.425 2.500 ( 1.660 0.000 -3.019) 3.445 2.598 ( -11.936 0.000 13.493) 18.015 2.884 ( -6.024 0.000 3.466) 6.950 2.920 ( -8.555 0.000 12.344) 15.019 3.053 ( 0.071 0.000 0.795) 0.798 3.142 ( -5.675 0.000 4.625) 7.321 3.173 ( -6.007 0.000 -0.702) 6.048 3.536 ( -4.713 0.000 8.693) 9.888 3.564 ( -3.368 0.000 6.710) 7.507 5.154 ( 1.168 0.000 5.333) 5.459 5.305 ( 3.701 0.000 4.201) 5.599 5.349 ( 0.532 0.000 1.362) 1.462 5.457 ( 1.754 0.000 0.606) 1.855 5.786 ( -2.133 0.000 1.710) 2.734 5.832 ( -0.049 0.000 1.232) 1.233 5.877 ( -1.840 0.000 0.099) 1.843 5.882 ( 0.379 0.000 1.379) 1.430 5.992 ( 0.110 0.000 3.552) 3.554 6.150 ( 2.255 0.000 -0.119) 2.259 6.151 ( 0.251 0.000 8.386) 8.390 6.529 ( 3.476 0.000 5.153) 6.216 6.560 ( -1.889 0.000 8.951) 9.148 6.687 ( -0.295 0.000 7.050) 7.056 6.789 ( -1.640 0.000 7.913) 8.081 6.860 ( -4.044 0.000 0.319) 4.056 7.041 ( -2.465 0.000 3.046) 3.918 7.103 ( -3.994 0.000 0.388) 4.013 7.201 ( 2.964 0.000 5.425) 6.182 7.360 ( 0.556 0.000 2.976) 3.027 8.239 ( -12.728 0.000 -0.051) 12.728 8.269 ( -12.709 0.000 -0.251) 12.712 8.421 ( -5.887 0.000 -1.396) 6.050 8.544 ( -1.721 0.000 -2.685) 3.189 ======================= Grid point 91 (46/102) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -10.769 0.000 4.693) 11.747 0.991 ( -13.047 0.000 10.791) 16.931 1.131 ( -0.681 0.000 6.337) 6.373 1.136 ( -3.825 0.000 5.383) 6.604 1.222 ( -6.469 0.000 3.197) 7.215 1.543 ( -7.720 0.000 2.521) 8.121 1.546 ( -9.054 0.000 0.218) 9.057 1.688 ( -11.086 0.000 5.054) 12.184 1.742 ( -5.150 0.000 -0.999) 5.246 1.981 ( -0.886 0.000 -0.830) 1.214 2.001 ( -0.797 0.000 1.163) 1.410 2.134 ( -2.682 0.000 1.062) 2.885 2.256 ( -4.289 0.000 18.396) 18.890 2.358 ( -0.013 0.000 2.060) 2.060 2.377 ( -5.627 0.000 10.083) 11.547 2.463 ( 2.391 0.000 -1.933) 3.074 2.510 ( -0.490 0.000 -0.286) 0.567 2.725 ( -11.560 0.000 11.571) 16.357 2.742 ( -8.090 0.000 2.567) 8.488 2.932 ( -10.512 0.000 1.111) 10.571 3.019 ( -7.813 0.000 -0.251) 7.817 3.113 ( 0.956 0.000 2.440) 2.620 3.446 ( -5.395 0.000 8.645) 10.190 3.494 ( -4.479 0.000 7.812) 9.005 5.238 ( 5.512 0.000 5.720) 7.944 5.375 ( 1.483 0.000 0.890) 1.730 5.407 ( 4.736 0.000 4.518) 6.545 5.511 ( 3.087 0.000 0.661) 3.157 5.760 ( -0.800 0.000 2.286) 2.422 5.822 ( -0.523 0.000 2.261) 2.320 5.834 ( -1.859 0.000 0.106) 1.862 5.894 ( -0.077 0.000 1.027) 1.030 6.035 ( 2.814 0.000 4.438) 5.255 6.180 ( 0.042 0.000 0.817) 0.818 6.202 ( 3.197 0.000 5.650) 6.491 6.532 ( -2.672 0.000 6.064) 6.626 6.588 ( -0.385 0.000 7.560) 7.570 6.685 ( -1.022 0.000 5.767) 5.857 6.766 ( -2.857 0.000 8.343) 8.819 6.796 ( -1.863 0.000 0.260) 1.881 6.943 ( -10.350 0.000 0.181) 10.352 6.965 ( -5.417 0.000 1.856) 5.726 7.263 ( 0.879 0.000 3.617) 3.722 7.333 ( -3.703 0.000 0.667) 3.763 7.899 ( -18.324 0.000 2.643) 18.513 7.929 ( -18.061 0.000 0.452) 18.066 8.275 ( -6.542 0.000 -2.158) 6.889 8.447 ( -6.668 0.000 -8.159) 10.537 ======================= Grid point 92 (47/102) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -14.558 0.000 7.369) 16.317 0.748 ( -11.732 0.000 12.556) 17.184 1.042 ( -7.805 0.000 5.467) 9.529 1.057 ( -6.994 0.000 1.900) 7.247 1.085 ( -5.548 0.000 4.489) 7.136 1.353 ( -12.169 0.000 8.265) 14.710 1.414 ( -3.327 0.000 3.662) 4.948 1.526 ( -3.984 0.000 11.937) 12.585 1.660 ( -2.587 0.000 1.607) 3.046 1.978 ( 0.535 0.000 0.835) 0.992 2.059 ( -3.819 0.000 2.357) 4.487 2.068 ( 6.871 0.000 0.510) 6.890 2.152 ( -8.999 0.000 13.521) 16.242 2.342 ( 0.761 0.000 5.245) 5.300 2.359 ( -0.541 0.000 -0.833) 0.993 2.441 ( -7.272 0.000 7.883) 10.725 2.522 ( 0.399 0.000 0.502) 0.642 2.571 ( -5.257 0.000 10.297) 11.561 2.576 ( -7.070 0.000 5.736) 9.104 2.725 ( -7.366 0.000 -5.786) 9.367 2.887 ( -3.871 0.000 0.358) 3.887 3.134 ( 0.369 0.000 2.660) 2.685 3.377 ( -2.943 0.000 9.877) 10.306 3.440 ( -2.324 0.000 8.573) 8.882 5.377 ( 5.163 0.000 4.575) 6.898 5.407 ( 1.319 0.000 1.223) 1.799 5.508 ( 3.763 0.000 3.797) 5.346 5.573 ( 2.316 0.000 1.285) 2.649 5.761 ( 0.416 0.000 1.736) 1.785 5.826 ( 1.317 0.000 0.132) 1.323 5.830 ( 0.460 0.000 2.877) 2.913 5.881 ( -1.465 0.000 0.600) 1.583 6.113 ( 3.453 0.000 5.379) 6.391 6.151 ( -2.516 0.000 2.358) 3.448 6.307 ( 5.237 0.000 1.500) 5.448 6.481 ( -2.905 0.000 4.802) 5.613 6.517 ( -7.530 0.000 8.281) 11.193 6.636 ( -11.654 0.000 4.031) 12.332 6.683 ( -1.333 0.000 3.826) 4.052 6.777 ( -1.033 0.000 1.639) 1.937 6.794 ( -2.303 0.000 6.366) 6.769 6.852 ( -4.210 0.000 -1.090) 4.349 7.208 ( -7.286 0.000 -2.499) 7.703 7.235 ( -3.653 0.000 -1.276) 3.870 7.596 ( -10.319 0.000 7.942) 13.022 7.643 ( -7.809 0.000 4.103) 8.821 8.166 ( -3.384 0.000 -3.028) 4.541 8.223 ( -12.162 0.000 -9.609) 15.500 ======================= Grid point 93 (48/102) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 4.615 6.186 9.837) 12.503 0.824 ( 0.146 10.812 8.462) 13.730 0.907 ( 0.520 -0.003 5.078) 5.104 1.032 ( -0.953 2.031 4.133) 4.703 1.044 ( 3.827 -0.315 6.049) 7.164 1.220 ( -1.305 0.403 11.907) 11.985 1.398 ( -2.090 -1.595 11.766) 12.056 1.466 ( -0.386 -1.966 7.251) 7.523 1.712 ( -0.197 8.175 0.597) 8.199 1.940 ( -3.424 -2.300 2.246) 4.697 1.973 ( -7.037 1.348 0.072) 7.165 2.064 ( 0.061 1.347 2.910) 3.207 2.206 ( 4.095 -0.597 -1.065) 4.273 2.238 ( -7.262 -2.234 5.599) 9.438 2.339 ( -7.028 -1.862 5.756) 9.273 2.386 ( -1.507 -3.668 2.219) 4.544 2.407 ( 2.292 -0.410 -1.370) 2.702 2.443 ( 1.218 -4.289 7.163) 8.437 2.603 ( 0.556 6.312 6.759) 9.265 2.757 ( 2.899 4.058 1.077) 5.102 2.908 ( 1.664 2.483 -0.726) 3.076 3.165 ( 0.167 0.940 5.852) 5.929 3.255 ( -0.156 -7.761 10.815) 13.312 3.413 ( -0.145 -3.702 7.891) 8.717 5.441 ( -1.203 1.544 2.893) 3.493 5.465 ( 1.437 1.994 2.456) 3.475 5.546 ( -0.631 -1.584 2.833) 3.307 5.583 ( 1.215 -2.574 2.471) 3.769 5.775 ( 1.304 -0.244 0.506) 1.420 5.809 ( -0.077 -1.210 -0.527) 1.323 5.864 ( -0.370 2.070 1.197) 2.420 5.894 ( 0.877 0.959 0.665) 1.460 6.094 ( -0.098 1.371 5.607) 5.773 6.288 ( 0.027 5.493 2.208) 5.920 6.304 ( -4.879 -3.451 5.024) 7.807 6.364 ( -5.184 0.867 4.963) 7.229 6.428 ( -7.321 0.458 5.065) 8.914 6.515 ( 5.471 -3.526 5.403) 8.459 6.624 ( -3.724 2.068 1.138) 4.410 6.750 ( 0.663 -3.403 5.454) 6.463 6.781 ( 0.648 0.956 0.733) 1.368 6.831 ( 0.800 -0.301 1.289) 1.546 7.125 ( -0.342 1.274 -1.898) 2.311 7.189 ( 3.163 -1.106 -3.922) 5.158 7.480 ( -3.723 0.071 8.449) 9.233 7.565 ( -0.504 -3.518 7.760) 8.535 8.011 ( -3.339 1.980 -2.881) 4.834 8.103 ( -1.248 -1.142 -3.606) 3.983 ======================= Grid point 94 (49/102) ======================= q-point: ( 0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 4.165 4.967 7.117) 9.626 0.881 ( 3.087 12.973 7.561) 15.330 1.048 ( 4.572 -3.829 6.495) 8.817 1.081 ( 4.290 -0.867 5.196) 6.794 1.243 ( 12.119 0.894 5.732) 13.436 1.362 ( 11.443 0.232 8.990) 14.553 1.441 ( 7.278 1.853 12.338) 14.444 1.572 ( 9.115 -1.270 3.438) 9.824 1.750 ( 1.231 3.343 1.820) 4.001 1.792 ( -0.971 0.640 -2.442) 2.704 1.922 ( -1.568 2.620 -1.930) 3.613 2.076 ( -2.151 -2.399 -1.133) 3.416 2.156 ( 0.050 1.031 10.510) 10.560 2.221 ( -4.239 -2.527 1.698) 5.219 2.273 ( 3.134 -0.608 -0.193) 3.199 2.371 ( 0.011 -2.556 4.184) 4.903 2.515 ( 6.042 -2.253 4.148) 7.667 2.551 ( 7.747 -4.734 1.115) 9.147 2.705 ( 6.602 6.374 10.150) 13.683 2.825 ( 2.970 5.376 4.349) 7.526 2.962 ( 3.429 1.141 -2.828) 4.589 3.184 ( -0.052 3.017 6.458) 7.128 3.285 ( 0.627 -9.439 10.474) 14.113 3.439 ( 0.808 -3.633 7.063) 7.983 5.385 ( -4.034 0.455 2.280) 4.656 5.469 ( -4.898 -1.679 3.738) 6.386 5.499 ( -1.196 1.477 1.847) 2.650 5.594 ( -1.289 -1.966 2.676) 3.562 5.786 ( -0.782 3.073 0.581) 3.224 5.818 ( 1.641 0.620 0.207) 1.767 5.877 ( 0.971 -0.688 0.564) 1.317 5.910 ( 0.641 0.594 0.132) 0.884 6.070 ( -2.672 0.350 5.084) 5.754 6.220 ( -2.076 -1.808 4.329) 5.130 6.245 ( -3.495 3.022 5.925) 7.513 6.340 ( -2.714 0.535 6.855) 7.392 6.419 ( 6.271 2.744 5.695) 8.904 6.587 ( 1.197 3.374 -0.785) 3.665 6.686 ( 6.957 -6.716 4.922) 10.850 6.768 ( 0.769 -2.436 5.188) 5.783 6.849 ( 4.729 0.533 2.225) 5.254 6.873 ( 3.294 0.386 1.718) 3.735 7.142 ( 1.072 2.431 -0.685) 2.744 7.254 ( -1.003 -1.989 -0.882) 2.395 7.546 ( 11.854 0.757 5.418) 13.055 7.670 ( 9.138 -4.748 5.151) 11.514 8.017 ( 3.988 2.752 -3.317) 5.872 8.102 ( 2.236 -0.825 -3.276) 4.052 ======================= Grid point 95 (50/102) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 3.762 1.903 3.446) 5.445 0.966 ( 2.824 6.150 5.667) 8.827 1.046 ( 0.566 -0.096 7.863) 7.884 1.203 ( 3.395 0.313 5.502) 6.473 1.510 ( 10.137 0.719 6.415) 12.018 1.607 ( 9.519 1.001 3.317) 10.130 1.682 ( 7.804 -3.055 2.492) 8.743 1.755 ( 4.364 -1.128 -0.668) 4.556 1.803 ( 8.281 1.905 5.104) 9.912 1.908 ( 5.756 -0.350 1.096) 5.870 1.932 ( 4.577 2.629 -1.852) 5.594 2.040 ( 0.301 -1.374 -0.398) 1.462 2.166 ( -0.758 0.580 3.005) 3.153 2.234 ( 4.199 -1.743 2.956) 5.423 2.346 ( 3.201 2.007 1.247) 3.979 2.389 ( 0.991 0.423 1.090) 1.533 2.657 ( 6.195 -0.415 10.248) 11.983 2.753 ( 9.764 -3.340 1.599) 10.443 2.867 ( 5.470 2.183 9.068) 10.812 2.914 ( 4.749 3.261 6.581) 8.746 3.038 ( 4.939 1.290 -2.271) 5.587 3.187 ( -0.572 5.594 6.112) 8.305 3.340 ( 2.385 -9.893 9.615) 14.000 3.482 ( 1.885 -4.009 6.126) 7.561 5.305 ( -4.020 -0.621 1.937) 4.505 5.345 ( -6.673 -1.323 3.759) 7.772 5.463 ( -3.059 1.335 2.187) 3.991 5.536 ( -4.256 -1.054 1.971) 4.807 5.779 ( 0.134 3.979 1.218) 4.163 5.854 ( 1.471 0.904 1.679) 2.409 5.888 ( 0.165 -1.045 0.240) 1.085 5.927 ( 0.690 0.080 0.182) 0.718 6.037 ( -1.771 0.688 5.331) 5.660 6.201 ( -2.270 -3.127 6.023) 7.156 6.203 ( -1.945 4.843 3.689) 6.391 6.332 ( 0.596 -0.122 5.435) 5.469 6.566 ( 4.636 2.201 9.551) 10.843 6.639 ( 2.642 2.707 1.998) 4.277 6.731 ( -1.148 -1.664 8.231) 8.476 6.891 ( 6.891 -5.945 1.945) 9.307 6.930 ( 3.506 0.527 1.690) 3.928 6.996 ( 6.183 -1.747 3.865) 7.498 7.144 ( -0.921 2.185 0.187) 2.378 7.182 ( -3.967 0.080 1.774) 4.346 7.907 ( 19.104 -0.428 2.019) 19.215 7.952 ( 16.281 -2.490 1.740) 16.562 8.145 ( 8.902 1.525 -3.649) 9.740 8.191 ( 7.041 -0.437 -2.888) 7.623 ======================= Grid point 96 (51/102) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 3.050 0.264 2.115) 3.721 1.036 ( 3.894 -0.816 5.698) 6.949 1.141 ( 4.850 4.016 4.391) 7.676 1.258 ( 1.001 0.181 5.071) 5.172 1.617 ( -1.247 1.432 7.611) 7.844 1.760 ( 2.023 -4.418 1.667) 5.137 1.774 ( 4.291 1.050 -2.526) 5.089 1.848 ( 3.568 -1.174 -1.541) 4.060 1.895 ( 1.398 2.714 9.236) 9.728 1.994 ( 3.351 -0.789 -4.132) 5.378 2.038 ( 2.695 -1.527 0.912) 3.229 2.100 ( 4.646 -4.063 1.958) 6.475 2.189 ( 2.361 3.085 -1.041) 4.022 2.297 ( -0.854 -1.932 -1.184) 2.422 2.397 ( 2.921 3.822 2.087) 5.244 2.431 ( 2.480 2.410 -2.970) 4.558 2.786 ( 3.640 4.275 11.183) 12.513 2.928 ( 4.866 -1.032 5.957) 7.761 2.958 ( 1.667 0.187 6.625) 6.834 3.027 ( 3.226 -1.088 7.693) 8.413 3.135 ( 3.770 1.198 2.614) 4.742 3.228 ( 3.641 5.436 1.676) 6.754 3.412 ( 1.775 -8.649 9.507) 12.975 3.542 ( 2.232 -4.057 5.584) 7.254 5.230 ( -5.068 -0.392 4.464) 6.765 5.238 ( -2.627 -1.356 2.450) 3.840 5.403 ( -2.899 1.061 2.591) 4.031 5.461 ( -2.788 -0.712 1.017) 3.052 5.796 ( 1.089 3.439 1.192) 3.800 5.872 ( -0.585 0.927 1.271) 1.679 5.896 ( 0.737 -0.398 0.700) 1.092 5.930 ( -0.577 0.188 0.805) 1.008 6.013 ( -1.952 0.385 5.330) 5.689 6.154 ( -3.358 -3.379 8.912) 10.105 6.184 ( -0.140 6.691 -0.259) 6.698 6.368 ( 1.529 -1.615 3.987) 4.565 6.615 ( -1.942 1.423 13.495) 13.709 6.678 ( 0.368 1.395 4.373) 4.605 6.757 ( 1.324 0.088 7.221) 7.342 6.953 ( -0.313 -4.503 0.088) 4.515 7.024 ( 3.289 -0.069 3.213) 4.599 7.073 ( -0.166 0.405 0.928) 1.026 7.149 ( -0.063 0.032 2.222) 2.224 7.164 ( 4.630 -1.033 5.511) 7.271 8.255 ( 12.600 0.136 0.494) 12.610 8.285 ( 13.350 -0.450 0.817) 13.382 8.339 ( 9.293 -0.381 -2.201) 9.557 8.349 ( 7.964 -0.332 -2.137) 8.253 ======================= Grid point 97 (52/102) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 1.092 0.680 4.789) 4.959 1.130 ( 3.007 -2.366 5.380) 6.601 1.204 ( -0.326 2.192 2.586) 3.406 1.285 ( 0.500 -0.065 4.226) 4.256 1.545 ( -6.738 4.183 7.534) 10.939 1.727 ( -3.853 -3.688 0.401) 5.348 1.822 ( -0.336 -1.627 -1.971) 2.578 1.851 ( -2.799 -1.798 -2.520) 4.174 1.911 ( -1.547 2.168 7.035) 7.523 2.045 ( -0.006 -0.711 -3.852) 3.917 2.094 ( 3.992 -1.956 2.179) 4.951 2.169 ( 0.842 -5.033 6.225) 8.049 2.232 ( 0.648 2.723 -3.766) 4.692 2.246 ( -0.654 1.476 -1.939) 2.523 2.435 ( 0.656 4.193 -0.802) 4.319 2.480 ( 2.780 1.560 -3.697) 4.881 2.826 ( -3.935 6.543 12.896) 14.986 2.952 ( -2.834 -0.955 5.440) 6.208 2.980 ( -1.141 0.304 9.570) 9.643 3.070 ( -0.485 0.060 3.961) 3.991 3.190 ( -0.329 0.096 3.943) 3.958 3.288 ( 0.944 4.062 0.472) 4.197 3.438 ( -1.825 -8.846 9.862) 13.373 3.580 ( -0.269 -3.864 5.359) 6.612 5.165 ( -2.124 0.539 4.955) 5.417 5.221 ( 0.396 -2.020 3.852) 4.367 5.368 ( -0.921 1.380 2.124) 2.695 5.430 ( -0.535 -0.969 0.903) 1.428 5.823 ( 1.068 1.742 0.834) 2.207 5.843 ( -2.137 0.855 0.847) 2.453 5.906 ( -1.247 0.677 1.777) 2.274 5.909 ( -0.509 0.777 0.622) 1.118 5.986 ( -1.500 -0.102 4.485) 4.730 6.119 ( -1.798 -2.838 8.698) 9.324 6.201 ( 1.770 6.973 -0.558) 7.216 6.417 ( 2.348 -2.628 3.957) 5.299 6.600 ( -1.890 1.984 11.844) 12.157 6.689 ( -0.303 0.657 5.964) 6.008 6.777 ( -1.019 -0.783 7.117) 7.232 6.911 ( -3.202 -3.310 -0.025) 4.605 7.050 ( 0.017 0.472 3.423) 3.456 7.116 ( 2.061 1.253 1.975) 3.118 7.164 ( 0.720 -0.042 4.119) 4.182 7.276 ( 4.196 -2.292 4.831) 6.797 8.387 ( 0.033 1.075 -0.479) 1.177 8.415 ( -0.848 0.299 -0.765) 1.181 8.462 ( 2.761 -0.475 -0.414) 2.832 8.502 ( 4.295 -1.814 -0.823) 4.735 ======================= Grid point 98 (53/102) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.359 0.120 6.693) 6.704 1.127 ( -5.573 -2.825 2.161) 6.612 1.191 ( -0.528 2.584 7.109) 7.582 1.265 ( -3.861 -0.622 3.904) 5.526 1.394 ( -8.855 6.280 6.720) 12.768 1.615 ( -7.150 -5.073 0.820) 8.806 1.712 ( -7.183 -1.269 -1.141) 7.383 1.795 ( -3.400 -3.236 -1.158) 4.835 1.882 ( -2.552 1.904 3.209) 4.520 1.988 ( -4.152 -0.726 -1.709) 4.549 2.136 ( -1.416 2.691 0.788) 3.141 2.173 ( -0.449 1.060 1.350) 1.774 2.220 ( 0.084 0.149 4.195) 4.198 2.293 ( 3.192 -3.553 1.754) 5.088 2.436 ( -0.263 4.132 -1.016) 4.263 2.514 ( 1.047 0.635 -2.618) 2.890 2.682 ( -11.557 6.948 12.786) 18.583 2.867 ( -6.686 -1.900 6.409) 9.455 2.923 ( -7.288 1.649 9.999) 12.483 3.058 ( -0.603 0.148 1.041) 1.212 3.118 ( -7.160 -0.487 3.199) 7.857 3.256 ( -4.229 6.387 2.199) 7.969 3.388 ( -4.693 -10.772 9.646) 15.202 3.550 ( -3.638 -3.991 5.488) 7.700 5.171 ( 1.639 1.568 5.514) 5.962 5.272 ( 3.460 -2.507 4.599) 6.277 5.372 ( 0.869 1.701 1.490) 2.423 5.443 ( 1.582 -1.255 0.913) 2.216 5.791 ( -2.526 0.615 1.460) 2.982 5.839 ( -0.491 -1.234 0.580) 1.449 5.871 ( -1.609 2.098 1.613) 3.097 5.905 ( -0.403 0.753 1.079) 1.376 5.983 ( 0.472 0.619 3.844) 3.922 6.125 ( 0.383 -2.525 7.784) 8.192 6.247 ( 2.574 7.185 -0.217) 7.635 6.477 ( 1.943 -3.395 4.966) 6.321 6.600 ( -0.543 2.325 8.721) 9.042 6.694 ( -0.915 -0.207 7.029) 7.091 6.768 ( -1.240 -0.839 7.353) 7.504 6.841 ( -3.360 -1.815 0.689) 3.881 7.035 ( -2.658 -0.158 3.229) 4.185 7.087 ( -4.836 -1.862 0.768) 5.239 7.227 ( 3.134 2.649 5.006) 6.474 7.344 ( 1.129 -1.662 3.000) 3.611 8.253 ( -12.550 1.200 -0.097) 12.608 8.273 ( -12.539 0.343 -0.334) 12.548 8.419 ( -5.708 0.102 -1.487) 5.900 8.507 ( -2.919 -3.149 -2.278) 4.860 ======================= Grid point 99 (54/102) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -10.884 -0.286 3.905) 11.567 1.029 ( -4.069 -1.999 7.547) 8.804 1.141 ( -8.087 3.026 5.715) 10.354 1.154 ( -5.168 1.203 4.961) 7.264 1.257 ( -5.447 4.101 6.532) 9.443 1.446 ( -8.699 -4.821 2.373) 10.225 1.577 ( -5.645 0.755 2.653) 6.282 1.677 ( -9.133 -1.589 3.760) 10.004 1.823 ( -3.225 3.670 -0.193) 4.889 1.890 ( -3.572 -1.744 -0.196) 3.979 2.090 ( -1.779 3.915 0.098) 4.302 2.148 ( -2.298 0.924 1.137) 2.725 2.243 ( -0.578 0.613 11.708) 11.738 2.341 ( -0.861 -2.653 6.894) 7.437 2.431 ( 0.188 -0.328 -1.043) 1.109 2.473 ( -7.249 6.625 8.143) 12.757 2.514 ( -2.307 -0.818 -0.520) 2.502 2.701 ( -10.858 -2.708 10.322) 15.224 2.772 ( -7.744 3.925 4.928) 9.983 2.934 ( -10.303 -0.373 0.715) 10.335 3.013 ( -4.491 0.327 -0.382) 4.519 3.175 ( -2.809 4.771 4.833) 7.349 3.310 ( -4.698 -9.482 9.077) 13.941 3.475 ( -4.435 -3.922 6.531) 8.815 5.262 ( 5.639 2.186 5.763) 8.354 5.370 ( 4.315 -1.319 3.412) 5.657 5.410 ( 2.439 1.079 2.427) 3.606 5.493 ( 2.719 -1.649 0.863) 3.295 5.754 ( -1.265 0.108 2.162) 2.507 5.812 ( -1.431 -1.831 0.651) 2.414 5.856 ( -0.454 2.212 1.964) 2.993 5.897 ( -0.627 0.091 1.098) 1.268 6.022 ( 1.956 1.016 4.002) 4.569 6.171 ( 2.443 -2.446 6.276) 7.165 6.294 ( 1.587 7.447 0.647) 7.642 6.504 ( -0.837 -2.244 6.289) 6.730 6.601 ( -2.003 0.895 6.619) 6.973 6.680 ( -1.645 -0.892 5.977) 6.263 6.756 ( -2.228 -0.681 7.936) 8.271 6.786 ( -1.865 -1.120 1.326) 2.548 6.920 ( -9.709 -0.682 0.772) 9.764 6.963 ( -5.883 -0.893 1.848) 6.231 7.274 ( -0.067 1.157 2.572) 2.821 7.329 ( -3.084 -0.597 0.545) 3.188 7.913 ( -18.687 1.331 2.234) 18.867 7.940 ( -17.576 0.761 0.808) 17.611 8.272 ( -6.831 0.018 -2.588) 7.305 8.387 ( -7.529 -4.853 -6.208) 10.899 ======================= Grid point 100 (55/102) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -11.247 2.789 6.809) 13.441 0.891 ( -8.449 2.237 7.500) 11.517 0.992 ( -7.411 2.172 5.629) 9.557 1.059 ( -4.826 -0.022 4.940) 6.907 1.135 ( -7.837 3.559 5.236) 10.075 1.298 ( -6.642 -2.856 6.572) 9.770 1.472 ( -8.236 2.691 7.419) 11.407 1.501 ( -4.319 -1.588 9.941) 10.954 1.744 ( -3.049 6.748 -0.445) 7.419 1.902 ( 3.133 -4.447 1.127) 5.556 2.067 ( -1.964 1.425 1.949) 3.113 2.124 ( 2.012 2.413 1.023) 3.304 2.183 ( -8.906 2.530 10.237) 13.803 2.326 ( 1.097 -1.055 5.511) 5.717 2.367 ( -4.139 -1.192 -0.440) 4.330 2.422 ( -4.874 -0.418 7.477) 8.935 2.484 ( -0.432 -2.308 -0.603) 2.424 2.510 ( -9.325 -2.503 10.222) 14.061 2.647 ( -5.693 4.163 7.020) 9.951 2.753 ( -4.254 1.476 -5.148) 6.839 2.921 ( -3.074 2.878 0.450) 4.235 3.156 ( -0.684 1.345 5.071) 5.291 3.254 ( -2.515 -7.903 9.973) 12.971 3.418 ( -2.409 -3.769 7.791) 8.984 5.399 ( 5.056 1.996 4.423) 7.008 5.428 ( 1.253 2.095 1.431) 2.830 5.496 ( 4.037 -1.253 3.987) 5.811 5.545 ( 1.850 -2.499 1.385) 3.404 5.752 ( 0.491 -0.194 1.770) 1.847 5.803 ( 0.345 -1.916 0.624) 2.045 5.860 ( 0.415 1.876 1.998) 2.772 5.888 ( -0.470 0.294 0.793) 0.968 6.066 ( 1.119 1.369 5.110) 5.408 6.248 ( 2.935 -0.295 6.313) 6.968 6.318 ( 1.129 4.243 -0.244) 4.398 6.475 ( -3.394 -1.240 6.368) 7.321 6.521 ( -6.714 0.924 5.724) 8.871 6.621 ( -9.287 -1.747 3.285) 10.005 6.690 ( -3.299 0.496 4.702) 5.765 6.739 ( -2.371 -3.116 6.794) 7.842 6.793 ( -1.287 1.208 0.456) 1.823 6.855 ( -3.583 -0.605 0.006) 3.634 7.210 ( -6.291 0.253 -2.513) 6.779 7.233 ( -4.607 -0.362 -1.979) 5.027 7.595 ( -10.910 0.526 7.315) 13.146 7.651 ( -9.468 -0.142 4.954) 10.687 8.148 ( -5.249 -1.288 -4.322) 6.920 8.187 ( -8.314 -2.514 -6.005) 10.559 ======================= Grid point 101 (56/102) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 5.756 -6.556 5.809) 10.481 0.786 ( 5.756 6.556 5.809) 10.481 0.982 ( -0.611 -2.999 5.672) 6.445 0.982 ( -0.611 2.999 5.672) 6.445 1.179 ( -0.736 -5.480 9.596) 11.075 1.179 ( -0.736 5.480 9.596) 11.075 1.410 ( -1.219 -2.647 8.645) 9.123 1.410 ( -1.219 2.647 8.645) 9.123 1.869 ( -1.016 -5.233 1.250) 5.475 1.869 ( -1.016 5.233 1.250) 5.475 2.038 ( -4.295 -3.979 -0.105) 5.856 2.038 ( -4.295 3.979 -0.105) 5.856 2.202 ( -0.816 -0.357 3.976) 4.074 2.202 ( -0.816 0.357 3.976) 4.074 2.321 ( -5.845 -1.501 4.613) 7.596 2.321 ( -5.845 1.501 4.613) 7.596 2.405 ( 1.238 -0.617 1.761) 2.239 2.405 ( 1.238 0.617 1.761) 2.239 2.740 ( 3.228 -5.297 2.226) 6.591 2.740 ( 3.228 5.297 2.226) 6.591 3.021 ( 0.142 -8.712 6.663) 10.969 3.021 ( 0.142 8.712 6.663) 10.969 3.296 ( -0.030 -6.493 7.736) 10.099 3.296 ( -0.030 6.493 7.736) 10.099 5.490 ( -1.561 -2.379 3.170) 4.260 5.490 ( -1.561 2.379 3.170) 4.260 5.524 ( 1.482 -2.412 2.230) 3.604 5.524 ( 1.482 2.412 2.230) 3.604 5.782 ( 1.548 -0.967 0.098) 1.827 5.782 ( 1.548 0.967 0.098) 1.827 5.899 ( 0.423 -0.664 0.761) 1.095 5.899 ( 0.423 0.664 0.761) 1.095 6.188 ( -2.982 -6.522 6.450) 9.645 6.188 ( -2.982 6.522 6.450) 9.645 6.373 ( -0.808 -1.798 2.844) 3.460 6.373 ( -0.808 1.798 2.844) 3.460 6.442 ( -4.134 -1.914 5.702) 7.298 6.442 ( -4.134 1.914 5.702) 7.298 6.680 ( -0.408 -3.262 3.856) 5.067 6.680 ( -0.408 3.262 3.856) 5.067 6.809 ( 0.962 -1.508 0.427) 1.839 6.809 ( 0.962 1.508 0.427) 1.839 7.158 ( 1.339 -1.757 -3.115) 3.819 7.158 ( 1.339 1.757 -3.115) 3.819 7.501 ( -2.675 -2.170 8.927) 9.569 7.501 ( -2.675 2.170 8.927) 9.569 8.062 ( -1.386 -2.576 -3.711) 4.725 8.062 ( -1.386 2.576 -3.711) 4.725 ======================= Grid point 103 (57/102) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 1.617 -6.741 5.473) 8.833 0.914 ( 1.617 6.741 5.473) 8.833 1.069 ( 5.394 -3.256 5.632) 8.451 1.069 ( 5.394 3.256 5.632) 8.451 1.299 ( 10.561 -4.482 8.438) 14.241 1.299 ( 10.561 4.482 8.438) 14.241 1.520 ( 9.650 -4.163 6.538) 12.377 1.520 ( 9.650 4.163 6.538) 12.377 1.796 ( -2.337 -1.295 -0.070) 2.673 1.796 ( -2.337 1.295 -0.070) 2.673 2.004 ( -0.774 -4.465 -1.231) 4.696 2.004 ( -0.774 4.465 -1.231) 4.696 2.179 ( -2.023 -1.704 7.314) 7.777 2.179 ( -2.023 1.704 7.314) 7.777 2.304 ( 3.110 -3.373 1.786) 4.923 2.304 ( 3.110 3.373 1.786) 4.923 2.494 ( 6.860 -0.683 1.296) 7.015 2.494 ( 6.860 0.683 1.296) 7.015 2.837 ( 4.402 -4.751 5.292) 8.364 2.837 ( 4.402 4.751 5.292) 8.364 3.055 ( 1.737 -9.125 6.528) 11.354 3.055 ( 1.737 9.125 6.528) 11.354 3.318 ( 0.271 -7.052 6.836) 9.826 3.318 ( 0.271 7.052 6.836) 9.826 5.419 ( -5.258 -2.547 3.216) 6.669 5.419 ( -5.258 2.547 3.216) 6.669 5.544 ( -0.608 -2.556 2.482) 3.615 5.544 ( -0.608 2.556 2.482) 3.615 5.823 ( 1.927 -0.970 -0.231) 2.170 5.823 ( 1.927 0.970 -0.231) 2.170 5.898 ( -0.432 -1.893 0.147) 1.947 5.898 ( -0.432 1.893 0.147) 1.947 6.125 ( -2.862 -4.532 6.724) 8.599 6.125 ( -2.862 4.532 6.724) 8.599 6.324 ( -2.826 -2.316 5.726) 6.793 6.324 ( -2.826 2.316 5.726) 6.793 6.518 ( 6.358 -6.658 4.670) 10.323 6.518 ( 6.358 6.658 4.670) 10.323 6.694 ( 1.652 -4.399 2.339) 5.249 6.694 ( 1.652 4.399 2.339) 5.249 6.865 ( 3.444 -0.841 2.357) 4.257 6.865 ( 3.444 0.841 2.357) 4.257 7.201 ( 0.918 -2.963 -1.382) 3.396 7.201 ( 0.918 2.963 -1.382) 3.396 7.584 ( 10.169 -3.134 5.775) 12.108 7.584 ( 10.169 3.134 5.775) 12.108 8.070 ( 3.016 -2.190 -3.435) 5.068 8.070 ( 3.016 2.190 -3.435) 5.068 ======================= Grid point 105 (58/102) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.943 -3.472 4.523) 5.779 0.935 ( 0.943 3.472 4.523) 5.779 1.163 ( 3.025 -4.982 5.092) 7.739 1.163 ( 3.025 4.982 5.092) 7.739 1.553 ( 9.427 -3.401 6.133) 11.749 1.553 ( 9.427 3.401 6.133) 11.749 1.710 ( 6.115 -3.136 -0.610) 6.899 1.710 ( 6.115 3.136 -0.610) 6.899 1.858 ( 6.071 -3.102 6.087) 9.140 1.858 ( 6.071 3.102 6.087) 9.140 1.995 ( 0.897 -2.861 -2.194) 3.715 1.995 ( 0.897 2.861 -2.194) 3.715 2.200 ( 2.614 -1.763 2.435) 3.984 2.200 ( 2.614 1.763 2.435) 3.984 2.382 ( 3.616 -1.133 1.620) 4.120 2.382 ( 3.616 1.133 1.620) 4.120 2.683 ( 9.953 -2.900 4.183) 11.179 2.683 ( 9.953 2.900 4.183) 11.179 2.925 ( 2.651 -2.482 7.106) 7.980 2.925 ( 2.651 2.482 7.106) 7.980 3.129 ( 3.547 -8.690 6.805) 11.593 3.129 ( 3.547 8.690 6.805) 11.593 3.346 ( 1.442 -8.242 5.354) 9.934 3.346 ( 1.442 8.242 5.354) 9.934 5.313 ( -5.409 -1.355 3.465) 6.565 5.313 ( -5.409 1.355 3.465) 6.565 5.500 ( -3.629 -2.064 2.241) 4.738 5.500 ( -3.629 2.064 2.241) 4.738 5.850 ( 0.791 -2.259 0.313) 2.414 5.850 ( 0.791 2.259 0.313) 2.414 5.899 ( 0.555 -2.375 0.337) 2.462 5.899 ( 0.555 2.375 0.337) 2.462 6.100 ( -1.997 -4.735 7.346) 8.965 6.100 ( -1.997 4.735 7.346) 8.965 6.301 ( -0.684 -3.112 3.897) 5.034 6.301 ( -0.684 3.112 3.897) 5.034 6.633 ( 2.251 -3.581 7.933) 8.991 6.633 ( 2.251 3.581 7.933) 8.991 6.765 ( 4.013 -5.444 2.482) 7.204 6.765 ( 4.013 5.444 2.482) 7.204 6.956 ( 4.682 -1.812 3.145) 5.924 6.956 ( 4.682 1.812 3.145) 5.924 7.176 ( -2.277 -0.860 0.484) 2.482 7.176 ( -2.277 0.860 0.484) 2.482 7.912 ( 18.358 -1.122 1.811) 18.481 7.912 ( 18.358 1.122 1.811) 18.481 8.174 ( 7.637 -1.176 -3.049) 8.307 8.174 ( 7.637 1.176 -3.049) 8.307 ======================= Grid point 107 (59/102) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 3.240 -2.230 3.431) 5.219 0.992 ( 3.240 2.230 3.431) 5.219 1.228 ( 2.048 -3.267 4.422) 5.867 1.228 ( 2.048 3.267 4.422) 5.867 1.668 ( 0.684 -3.714 5.124) 6.365 1.668 ( 0.684 3.714 5.124) 6.365 1.810 ( 3.414 -2.171 -1.115) 4.197 1.810 ( 3.414 2.171 -1.115) 4.197 1.973 ( 3.523 -3.881 6.667) 8.481 1.973 ( 3.523 3.881 6.667) 8.481 2.022 ( 1.411 -2.027 -1.700) 2.998 2.022 ( 1.411 2.027 -1.700) 2.998 2.253 ( 1.874 -2.622 -2.600) 4.141 2.253 ( 1.874 2.622 -2.600) 4.141 2.452 ( 2.678 -0.887 -0.703) 2.908 2.452 ( 2.678 0.887 -0.703) 2.908 2.882 ( 6.812 -3.708 6.701) 10.250 2.882 ( 6.812 3.708 6.701) 10.250 2.985 ( 1.258 -2.458 8.442) 8.882 2.985 ( 1.258 2.458 8.442) 8.882 3.208 ( 2.018 -6.260 6.570) 9.296 3.208 ( 2.018 6.260 6.570) 9.296 3.407 ( 2.884 -7.760 4.260) 9.311 3.407 ( 2.884 7.760 4.260) 9.311 5.223 ( -3.873 -0.030 4.037) 5.595 5.223 ( -3.873 0.030 4.037) 5.595 5.434 ( -2.805 -1.728 1.907) 3.806 5.434 ( -2.805 1.728 1.907) 3.806 5.860 ( 0.031 -2.120 0.288) 2.140 5.860 ( 0.031 2.120 0.288) 2.140 5.913 ( 0.422 -1.508 1.098) 1.912 5.913 ( 0.422 1.508 1.098) 1.912 6.067 ( -2.690 -4.306 7.375) 8.953 6.067 ( -2.690 4.306 7.375) 8.953 6.307 ( 0.542 -4.549 2.008) 5.002 6.307 ( 0.542 4.549 2.008) 5.002 6.658 ( -1.198 -2.441 10.217) 10.573 6.658 ( -1.198 2.441 10.217) 10.573 6.831 ( 1.187 -6.158 2.107) 6.616 6.831 ( 1.187 6.158 2.107) 6.616 7.052 ( 3.064 -2.051 2.424) 4.412 7.052 ( 3.064 2.051 2.424) 4.412 7.151 ( 0.472 -0.660 3.461) 3.555 7.151 ( 0.472 0.660 3.461) 3.555 8.267 ( 13.998 -0.986 0.309) 14.036 8.267 ( 13.998 0.986 0.309) 14.036 8.340 ( 7.746 -0.386 -1.856) 7.974 8.340 ( 7.746 0.386 -1.856) 7.974 ======================= Grid point 109 (60/102) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 1.786 -3.297 4.145) 5.589 1.059 ( 1.786 3.297 4.145) 5.589 1.258 ( -0.310 -2.362 4.283) 4.901 1.258 ( -0.310 2.362 4.283) 4.901 1.635 ( -4.536 -4.549 4.295) 7.728 1.635 ( -4.536 4.549 4.295) 7.728 1.819 ( -2.278 -1.008 -1.638) 2.982 1.819 ( -2.278 1.008 -1.638) 2.982 1.990 ( -2.218 -4.736 1.159) 5.357 1.990 ( -2.218 4.736 1.159) 5.357 2.088 ( 4.334 -1.857 4.968) 6.850 2.088 ( 4.334 1.857 4.968) 6.850 2.266 ( 0.061 -0.238 -4.045) 4.052 2.266 ( 0.061 0.238 -4.045) 4.052 2.490 ( 1.591 -0.967 -2.341) 2.991 2.490 ( 1.591 0.967 -2.341) 2.991 2.932 ( -3.944 -1.665 8.922) 9.896 2.932 ( -3.944 1.665 8.922) 9.896 3.032 ( 1.031 -4.510 7.141) 8.509 3.032 ( 1.031 4.510 7.141) 8.509 3.230 ( -1.683 -5.277 6.511) 8.548 3.230 ( -1.683 5.277 6.511) 8.548 3.451 ( -0.205 -7.394 3.695) 8.269 3.451 ( -0.205 7.394 3.695) 8.269 5.184 ( -0.792 -1.361 4.835) 5.085 5.184 ( -0.792 1.361 4.835) 5.085 5.401 ( -0.743 -1.673 1.616) 2.442 5.401 ( -0.743 1.673 1.616) 2.442 5.848 ( -1.316 -0.517 0.395) 1.468 5.848 ( -1.316 0.517 0.395) 1.468 5.916 ( -0.421 -0.389 1.505) 1.611 5.916 ( -0.421 0.389 1.505) 1.611 6.037 ( -1.428 -4.445 6.486) 7.991 6.037 ( -1.428 4.445 6.486) 7.991 6.336 ( 1.886 -5.396 1.635) 5.946 6.336 ( 1.886 5.396 1.635) 5.946 6.654 ( -1.311 -2.992 10.187) 10.698 6.654 ( -1.311 2.992 10.187) 10.698 6.825 ( -1.635 -4.428 1.931) 5.100 6.825 ( -1.635 4.428 1.931) 5.100 7.082 ( -0.339 -2.476 2.360) 3.437 7.082 ( -0.339 2.476 2.360) 3.437 7.216 ( 3.684 -3.351 5.081) 7.115 7.216 ( 3.684 3.351 5.081) 7.115 8.412 ( -0.456 -0.923 -0.998) 1.434 8.412 ( -0.456 0.923 -0.998) 1.434 8.465 ( 3.520 -1.201 -0.309) 3.732 8.465 ( 3.520 1.201 -0.309) 3.732 ======================= Grid point 111 (61/102) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -2.627 -2.491 4.247) 5.581 1.065 ( -2.627 2.491 4.247) 5.581 1.239 ( -2.483 -1.843 5.403) 6.225 1.239 ( -2.483 1.843 5.403) 6.225 1.511 ( -7.862 -4.907 3.980) 10.086 1.511 ( -7.862 4.907 3.980) 10.086 1.726 ( -5.570 -2.593 -0.845) 6.202 1.726 ( -5.570 2.593 -0.845) 6.202 1.942 ( -2.791 -3.490 1.664) 4.768 1.942 ( -2.791 3.490 1.664) 4.768 2.171 ( 1.549 -1.755 2.881) 3.712 2.171 ( 1.549 1.755 2.881) 3.712 2.247 ( -0.203 -1.310 0.082) 1.329 2.247 ( -0.203 1.310 0.082) 1.329 2.502 ( -0.301 -2.044 -2.360) 3.137 2.502 ( -0.301 2.044 -2.360) 3.137 2.804 ( -9.773 -4.129 9.508) 14.246 2.804 ( -9.773 4.129 9.508) 14.246 3.019 ( -4.148 -5.068 5.972) 8.863 3.019 ( -4.148 5.068 5.972) 8.863 3.170 ( -5.182 -7.319 6.681) 11.183 3.170 ( -5.182 7.319 6.681) 11.183 3.415 ( -3.705 -8.165 3.886) 9.772 3.415 ( -3.705 8.165 3.886) 9.772 5.216 ( 2.765 -2.686 5.417) 6.649 5.216 ( 2.765 2.686 5.417) 6.649 5.410 ( 1.192 -1.834 1.307) 2.548 5.410 ( 1.192 1.834 1.307) 2.548 5.811 ( -2.228 -1.221 0.944) 2.710 5.811 ( -2.228 1.221 0.944) 2.710 5.904 ( -0.958 -0.811 1.600) 2.034 5.904 ( -0.958 0.811 1.600) 2.034 6.046 ( 0.831 -4.567 5.386) 7.110 6.046 ( 0.831 4.567 5.386) 7.110 6.387 ( 2.368 -5.628 2.057) 6.443 6.387 ( 2.368 5.628 2.057) 6.443 6.653 ( -1.138 -2.827 9.111) 9.607 6.653 ( -1.138 2.827 9.111) 9.607 6.792 ( -1.918 -2.482 2.977) 4.325 6.792 ( -1.918 2.482 2.977) 4.325 7.047 ( -3.863 -1.451 2.520) 4.835 7.047 ( -3.863 1.451 2.520) 4.835 7.293 ( 2.155 -3.152 3.621) 5.262 7.293 ( 2.155 3.152 3.621) 5.262 8.274 ( -12.370 -0.502 -0.292) 12.384 8.274 ( -12.370 0.502 -0.292) 12.384 8.442 ( -4.806 -2.406 -1.725) 5.645 8.442 ( -4.806 2.406 -1.725) 5.645 ======================= Grid point 113 (62/102) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -7.621 -2.315 4.592) 9.193 0.967 ( -7.621 2.315 4.592) 9.193 1.171 ( -5.524 -0.603 4.905) 7.412 1.171 ( -5.524 0.603 4.905) 7.412 1.359 ( -7.440 -4.262 6.212) 10.588 1.359 ( -7.440 4.262 6.212) 10.588 1.615 ( -5.432 -3.264 2.772) 6.917 1.615 ( -5.432 3.264 2.772) 6.917 1.872 ( -3.641 -2.207 0.156) 4.260 1.872 ( -3.641 2.207 0.156) 4.260 2.152 ( -2.050 -1.321 0.547) 2.499 2.152 ( -2.050 1.321 0.547) 2.499 2.282 ( 1.062 -2.695 7.168) 7.731 2.282 ( 1.062 2.695 7.168) 7.731 2.457 ( -3.723 -2.884 -0.675) 4.758 2.457 ( -3.723 2.884 -0.675) 4.758 2.615 ( -9.479 -5.526 9.126) 14.271 2.615 ( -9.479 5.526 9.126) 14.271 2.888 ( -8.629 -4.869 2.420) 10.200 2.888 ( -8.629 4.869 2.420) 10.200 3.078 ( -4.639 -7.420 6.695) 11.018 3.078 ( -4.639 7.420 6.695) 11.018 3.344 ( -3.732 -7.746 5.288) 10.094 3.344 ( -3.732 7.746 5.288) 10.094 5.320 ( 5.670 -3.073 5.379) 8.397 5.320 ( 5.670 3.073 5.379) 8.397 5.450 ( 2.047 -2.316 1.154) 3.299 5.450 ( 2.047 2.316 1.154) 3.299 5.773 ( -1.444 -1.621 1.475) 2.625 5.773 ( -1.444 1.621 1.475) 2.625 5.889 ( -0.780 -0.947 1.588) 2.006 5.889 ( -0.780 0.947 1.588) 2.006 6.092 ( 2.345 -4.682 4.688) 7.028 6.092 ( 2.345 4.682 4.688) 7.028 6.432 ( 0.913 -5.172 3.371) 6.241 6.432 ( 0.913 5.172 3.371) 6.241 6.636 ( -2.769 -2.626 7.256) 8.198 6.636 ( -2.769 2.626 7.256) 8.198 6.759 ( -2.293 -1.025 3.956) 4.686 6.759 ( -2.293 1.025 3.956) 4.686 6.933 ( -7.037 -1.556 1.936) 7.462 6.933 ( -7.037 1.556 1.936) 7.462 7.305 ( -1.779 -1.559 1.009) 2.572 7.305 ( -1.779 1.559 1.009) 2.572 7.941 ( -18.136 -0.898 1.473) 18.218 7.941 ( -18.136 0.898 1.473) 18.218 8.297 ( -7.606 -2.920 -3.719) 8.956 8.297 ( -7.606 2.920 -3.719) 8.956 ======================= Grid point 115 (63/102) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -7.642 -5.329 5.744) 10.945 0.802 ( -7.642 5.329 5.744) 10.945 1.054 ( -6.154 -1.020 4.659) 7.786 1.054 ( -6.154 1.020 4.659) 7.786 1.237 ( -5.940 -4.124 8.466) 11.134 1.237 ( -5.940 4.124 8.466) 11.134 1.491 ( -7.130 -0.990 6.887) 9.963 1.491 ( -7.130 0.990 6.887) 9.963 1.841 ( 1.014 -2.268 0.374) 2.512 1.841 ( 1.014 2.268 0.374) 2.512 2.119 ( -1.727 -2.812 0.678) 3.369 2.119 ( -1.727 2.812 0.678) 3.369 2.260 ( -5.384 -4.584 7.398) 10.234 2.260 ( -5.384 4.584 7.398) 10.234 2.380 ( -2.075 -2.558 0.595) 3.347 2.380 ( -2.075 2.558 0.595) 3.347 2.477 ( -6.678 -0.850 8.406) 10.769 2.477 ( -6.678 0.850 8.406) 10.769 2.739 ( -4.184 -3.419 -0.844) 5.469 2.739 ( -4.184 3.419 -0.844) 5.469 3.023 ( -2.071 -7.928 6.748) 10.616 3.023 ( -2.071 7.928 6.748) 10.616 3.297 ( -1.998 -6.793 6.970) 9.936 3.297 ( -1.998 6.793 6.970) 9.936 5.451 ( 4.983 -2.673 4.186) 7.035 5.451 ( 4.983 2.673 4.186) 7.035 5.486 ( 0.986 -2.922 1.548) 3.451 5.486 ( 0.986 2.922 1.548) 3.451 5.764 ( 0.180 -1.428 1.254) 1.909 5.764 ( 0.180 1.428 1.254) 1.909 5.885 ( 0.198 -0.576 1.460) 1.582 5.885 ( 0.198 0.576 1.460) 1.582 6.161 ( 2.895 -6.066 4.924) 8.332 6.161 ( 2.895 6.066 4.924) 8.332 6.420 ( -3.234 -4.011 4.335) 6.734 6.420 ( -3.234 4.011 4.335) 6.734 6.564 ( -5.905 -3.026 4.896) 8.246 6.564 ( -5.905 3.026 4.896) 8.246 6.702 ( -3.555 -0.795 5.189) 6.340 6.702 ( -3.555 0.795 5.189) 6.340 6.826 ( -2.553 -1.836 0.444) 3.176 6.826 ( -2.553 1.836 0.444) 3.176 7.220 ( -5.412 -0.694 -2.589) 6.039 7.220 ( -5.412 0.694 -2.589) 6.039 7.624 ( -11.510 -1.968 6.285) 13.261 7.624 ( -11.510 1.968 6.285) 13.261 8.145 ( -5.538 -1.242 -4.370) 7.163 8.145 ( -5.538 1.242 -4.370) 7.163 ======================= Grid point 125 (64/102) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 3.185 0.000 8.027) 8.636 0.832 ( -4.209 0.000 7.724) 8.797 1.036 ( -0.740 0.000 3.988) 4.056 1.062 ( 3.943 0.000 3.504) 5.275 1.164 ( 3.746 0.000 4.532) 5.880 1.308 ( -1.860 0.000 -1.116) 2.170 1.536 ( 2.708 0.000 5.217) 5.878 1.625 ( 1.808 0.000 2.691) 3.242 1.778 ( -3.256 0.000 10.418) 10.915 1.953 ( -5.107 0.000 -0.908) 5.187 1.996 ( -11.877 0.000 2.288) 12.095 2.088 ( 1.816 0.000 1.119) 2.133 2.189 ( 2.507 0.000 -0.859) 2.650 2.268 ( 2.994 0.000 -4.110) 5.084 2.284 ( -5.141 0.000 -4.124) 6.591 2.422 ( -0.554 0.000 -8.145) 8.164 2.488 ( -5.120 0.000 3.629) 6.276 2.544 ( 6.863 0.000 2.523) 7.312 2.667 ( -1.387 0.000 5.917) 6.078 2.834 ( 3.600 0.000 -0.304) 3.613 2.951 ( -2.042 0.000 14.536) 14.679 3.238 ( 1.014 0.000 2.655) 2.842 3.588 ( 0.373 0.000 8.635) 8.643 3.605 ( -1.094 0.000 7.453) 7.533 5.475 ( -2.049 0.000 1.637) 2.622 5.479 ( 2.343 0.000 1.408) 2.734 5.622 ( -0.236 0.000 2.717) 2.727 5.653 ( 1.773 0.000 1.435) 2.281 5.790 ( 0.809 0.000 0.289) 0.859 5.811 ( -3.947 0.000 -0.457) 3.973 5.866 ( 2.033 0.000 0.143) 2.038 5.876 ( -0.342 0.000 0.253) 0.425 6.186 ( -0.676 0.000 1.981) 2.093 6.188 ( 0.183 0.000 0.498) 0.530 6.427 ( 1.437 0.000 4.766) 4.978 6.518 ( -6.392 0.000 6.410) 9.052 6.532 ( -4.876 0.000 5.658) 7.469 6.570 ( -7.253 0.000 -2.337) 7.621 6.634 ( 6.947 0.000 2.492) 7.381 6.768 ( 1.584 0.000 -3.602) 3.935 6.838 ( -0.927 0.000 5.054) 5.138 6.956 ( 1.247 0.000 5.640) 5.776 7.095 ( 0.810 0.000 -0.695) 1.067 7.103 ( 1.856 0.000 -5.166) 5.489 7.664 ( -4.081 0.000 8.712) 9.621 7.717 ( 1.977 0.000 4.750) 5.145 7.948 ( -2.672 0.000 -2.259) 3.499 8.030 ( -0.524 0.000 -4.668) 4.697 ======================= Grid point 126 (65/102) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 3.863 0.000 8.177) 9.044 0.940 ( 6.053 0.000 6.612) 8.964 1.140 ( 7.834 0.000 1.546) 7.985 1.207 ( 5.366 0.000 2.888) 6.094 1.342 ( 11.865 0.000 3.988) 12.517 1.358 ( 6.781 0.000 -3.382) 7.577 1.650 ( 7.253 0.000 3.090) 7.884 1.695 ( 1.661 0.000 0.246) 1.679 1.737 ( 0.383 0.000 10.226) 10.233 1.841 ( -4.417 0.000 -1.757) 4.754 1.857 ( 1.090 0.000 8.656) 8.725 2.077 ( -3.041 0.000 -0.883) 3.167 2.176 ( 0.823 0.000 -4.228) 4.307 2.279 ( 0.674 0.000 2.900) 2.978 2.292 ( 1.979 0.000 0.631) 2.077 2.413 ( -0.629 0.000 -1.469) 1.598 2.577 ( 10.629 0.000 -1.543) 10.740 2.727 ( 6.559 0.000 3.690) 7.526 2.737 ( 10.502 0.000 1.958) 10.683 2.891 ( 1.606 0.000 -2.545) 3.009 2.960 ( 0.119 0.000 15.169) 15.170 3.256 ( -0.023 0.000 2.270) 2.270 3.609 ( -0.027 0.000 6.906) 6.906 3.621 ( 0.820 0.000 7.934) 7.976 5.409 ( -3.918 0.000 1.049) 4.056 5.506 ( -0.501 0.000 0.846) 0.983 5.559 ( -5.801 0.000 2.456) 6.299 5.649 ( -2.299 0.000 0.508) 2.354 5.765 ( -0.771 0.000 1.042) 1.296 5.844 ( 3.166 0.000 1.535) 3.519 5.888 ( 1.621 0.000 -0.448) 1.682 5.903 ( 0.993 0.000 0.384) 1.065 6.143 ( -3.348 0.000 0.508) 3.386 6.172 ( -1.612 0.000 2.014) 2.580 6.419 ( -3.504 0.000 4.175) 5.450 6.478 ( -2.058 0.000 8.118) 8.374 6.529 ( 6.652 0.000 6.456) 9.269 6.548 ( 4.517 0.000 1.797) 4.861 6.822 ( 8.816 0.000 0.371) 8.824 6.825 ( 4.568 0.000 -2.328) 5.127 6.898 ( 5.926 0.000 2.901) 6.598 6.952 ( -0.910 0.000 6.744) 6.805 7.126 ( 1.507 0.000 0.851) 1.731 7.208 ( 4.439 0.000 -5.579) 7.129 7.687 ( 6.487 0.000 7.980) 10.284 7.824 ( 7.432 0.000 4.478) 8.677 7.942 ( 2.753 0.000 -0.895) 2.894 8.041 ( 2.744 0.000 -3.679) 4.590 ======================= Grid point 127 (66/102) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 6.962 0.000 7.769) 10.432 1.026 ( 2.177 0.000 8.126) 8.413 1.229 ( -1.768 0.000 5.937) 6.194 1.273 ( 4.195 0.000 1.110) 4.339 1.526 ( 9.745 0.000 -4.728) 10.832 1.617 ( 11.548 0.000 2.984) 11.927 1.719 ( 2.098 0.000 -2.308) 3.119 1.779 ( -1.190 0.000 -1.106) 1.625 1.820 ( 7.706 0.000 -1.013) 7.772 1.882 ( 8.353 0.000 5.704) 10.114 1.987 ( 5.083 0.000 5.084) 7.189 2.032 ( 0.077 0.000 -1.127) 1.129 2.214 ( 2.553 0.000 1.463) 2.943 2.302 ( 0.344 0.000 1.200) 1.248 2.330 ( 1.309 0.000 0.339) 1.353 2.397 ( -0.578 0.000 0.677) 0.890 2.805 ( 10.751 0.000 0.125) 10.751 2.900 ( 0.599 0.000 2.335) 2.410 2.934 ( 11.255 0.000 2.308) 11.489 2.961 ( 9.834 0.000 1.883) 10.013 3.034 ( 3.699 0.000 10.108) 10.763 3.247 ( -1.293 0.000 2.575) 2.882 3.644 ( 1.837 0.000 6.831) 7.073 3.663 ( 1.654 0.000 7.233) 7.420 5.336 ( -3.208 0.000 1.457) 3.524 5.433 ( -6.437 0.000 3.163) 7.172 5.471 ( -2.299 0.000 -0.099) 2.301 5.568 ( -5.152 0.000 0.188) 5.155 5.766 ( 0.401 0.000 1.630) 1.678 5.896 ( 1.190 0.000 1.810) 2.166 5.906 ( -0.402 0.000 0.662) 0.775 5.926 ( 1.656 0.000 -0.332) 1.689 6.080 ( -2.130 0.000 -1.228) 2.459 6.139 ( -2.147 0.000 2.851) 3.569 6.409 ( 0.837 0.000 2.273) 2.423 6.435 ( -3.926 0.000 8.438) 9.306 6.666 ( 4.780 0.000 3.043) 5.666 6.721 ( 9.117 0.000 6.702) 11.315 6.922 ( -0.628 0.000 6.698) 6.727 6.938 ( 5.875 0.000 0.234) 5.880 7.001 ( 3.909 0.000 1.938) 4.363 7.045 ( 5.094 0.000 0.320) 5.104 7.168 ( 3.219 0.000 4.104) 5.216 7.206 ( -1.775 0.000 -0.365) 1.812 7.964 ( 16.329 0.000 2.618) 16.537 8.051 ( 13.131 0.000 3.885) 13.693 8.075 ( 10.100 0.000 -0.311) 10.105 8.138 ( 7.437 0.000 -2.839) 7.961 ======================= Grid point 128 (67/102) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 3.018 0.000 8.246) 8.781 1.151 ( 5.926 0.000 6.382) 8.709 1.238 ( 1.237 0.000 6.386) 6.504 1.327 ( 1.005 0.000 1.502) 1.807 1.694 ( 6.119 0.000 -3.949) 7.282 1.735 ( -1.857 0.000 4.672) 5.027 1.778 ( 3.528 0.000 -1.302) 3.760 1.801 ( 3.509 0.000 -1.966) 4.022 1.929 ( 3.264 0.000 -3.900) 5.086 2.002 ( 3.339 0.000 -2.900) 4.422 2.051 ( 0.841 0.000 6.269) 6.325 2.080 ( 3.737 0.000 -0.124) 3.739 2.259 ( 0.132 0.000 2.636) 2.639 2.305 ( 0.635 0.000 -3.571) 3.627 2.324 ( -1.380 0.000 -0.836) 1.613 2.394 ( 0.035 0.000 1.152) 1.152 2.946 ( 2.680 0.000 5.381) 6.012 2.990 ( 6.237 0.000 1.168) 6.345 3.101 ( 1.546 0.000 8.455) 8.595 3.151 ( 8.215 0.000 2.046) 8.466 3.159 ( 6.236 0.000 1.239) 6.358 3.223 ( -1.518 0.000 3.766) 4.060 3.705 ( 1.968 0.000 7.147) 7.413 3.721 ( 1.927 0.000 6.899) 7.163 5.291 ( -1.535 0.000 2.519) 2.950 5.327 ( -4.115 0.000 4.115) 5.820 5.428 ( -1.934 0.000 0.197) 1.944 5.466 ( -3.866 0.000 -0.784) 3.945 5.789 ( 1.403 0.000 1.641) 2.159 5.889 ( -1.226 0.000 1.312) 1.795 5.910 ( -0.135 0.000 0.121) 0.181 5.943 ( -0.168 0.000 0.189) 0.253 6.063 ( 0.677 0.000 -1.099) 1.291 6.096 ( -2.485 0.000 2.167) 3.297 6.369 ( -3.929 0.000 7.938) 8.857 6.440 ( 1.762 0.000 0.663) 1.883 6.743 ( 2.174 0.000 3.869) 4.438 6.876 ( -5.035 0.000 9.515) 10.766 6.895 ( 5.028 0.000 6.426) 8.160 7.015 ( -0.018 0.000 1.133) 1.133 7.051 ( 2.009 0.000 -0.938) 2.217 7.089 ( 1.557 0.000 1.214) 1.974 7.209 ( 1.369 0.000 4.237) 4.453 7.280 ( 4.947 0.000 3.761) 6.215 8.262 ( 10.361 0.000 0.113) 10.361 8.306 ( 7.966 0.000 -1.836) 8.175 8.326 ( 12.423 0.000 0.267) 12.426 8.330 ( 11.228 0.000 2.577) 11.520 ======================= Grid point 129 (68/102) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 1.452 0.000 7.452) 7.592 1.244 ( 1.436 0.000 4.447) 4.673 1.278 ( 0.388 0.000 4.751) 4.766 1.338 ( 0.036 0.000 1.612) 1.612 1.653 ( -7.269 0.000 6.964) 10.067 1.750 ( 0.432 0.000 -0.153) 0.458 1.809 ( -2.384 0.000 -1.609) 2.876 1.821 ( 0.328 0.000 -0.462) 0.566 1.960 ( 1.110 0.000 -3.832) 3.989 1.982 ( -3.643 0.000 -2.480) 4.408 2.128 ( 2.228 0.000 2.370) 3.253 2.142 ( 1.959 0.000 0.424) 2.005 2.212 ( -0.757 0.000 -1.401) 1.592 2.317 ( 1.448 0.000 -4.868) 5.079 2.329 ( 1.190 0.000 1.989) 2.318 2.406 ( 1.020 0.000 -1.180) 1.560 2.997 ( 0.132 0.000 6.334) 6.336 3.062 ( 0.954 0.000 0.939) 1.339 3.079 ( -5.779 0.000 9.353) 10.994 3.194 ( -2.777 0.000 4.599) 5.372 3.233 ( 0.257 0.000 0.373) 0.453 3.260 ( 1.563 0.000 2.548) 2.989 3.740 ( -0.513 0.000 7.143) 7.161 3.753 ( -0.980 0.000 6.901) 6.970 5.264 ( -1.494 0.000 5.323) 5.528 5.313 ( 1.574 0.000 3.341) 3.694 5.382 ( -1.967 0.000 0.482) 2.025 5.429 ( 0.130 0.000 -1.779) 1.784 5.828 ( 1.846 0.000 1.519) 2.391 5.856 ( -2.039 0.000 0.993) 2.268 5.908 ( -0.199 0.000 0.485) 0.524 5.923 ( -1.447 0.000 0.645) 1.584 6.054 ( -1.807 0.000 1.584) 2.403 6.091 ( 2.086 0.000 -0.778) 2.226 6.320 ( -2.417 0.000 7.330) 7.718 6.491 ( 3.230 0.000 -0.310) 3.245 6.789 ( -4.813 0.000 7.444) 8.864 6.791 ( 1.617 0.000 5.293) 5.535 6.947 ( -0.184 0.000 6.103) 6.106 6.973 ( -3.270 0.000 2.248) 3.968 7.114 ( -0.225 0.000 1.622) 1.638 7.115 ( 2.598 0.000 0.229) 2.608 7.249 ( 1.394 0.000 5.012) 5.203 7.364 ( 2.452 0.000 1.184) 2.723 8.372 ( -0.328 0.000 0.026) 0.329 8.397 ( -0.173 0.000 -0.911) 0.928 8.466 ( 0.879 0.000 0.419) 0.974 8.502 ( 3.806 0.000 -1.007) 3.937 ======================= Grid point 130 (69/102) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -2.718 0.000 4.900) 5.604 1.241 ( -1.992 0.000 2.898) 3.517 1.264 ( -2.249 0.000 4.107) 4.683 1.326 ( -2.136 0.000 1.737) 2.753 1.473 ( -11.279 0.000 7.637) 13.621 1.711 ( -6.302 0.000 0.140) 6.303 1.723 ( -3.321 0.000 3.928) 5.143 1.794 ( -2.834 0.000 -0.868) 2.964 1.884 ( -4.810 0.000 -0.474) 4.833 1.969 ( 0.495 0.000 -1.413) 1.497 2.063 ( -4.442 0.000 0.148) 4.444 2.167 ( 0.248 0.000 0.338) 0.419 2.309 ( 6.114 0.000 -1.854) 6.389 2.341 ( 1.572 0.000 -2.262) 2.754 2.363 ( 1.540 0.000 1.698) 2.292 2.423 ( 1.219 0.000 -4.522) 4.684 2.916 ( -11.719 0.000 10.704) 15.872 2.969 ( -4.543 0.000 8.152) 9.333 3.034 ( -4.769 0.000 -0.253) 4.775 3.114 ( -5.641 0.000 3.967) 6.896 3.175 ( -5.448 0.000 0.776) 5.503 3.241 ( -3.213 0.000 4.371) 5.425 3.708 ( -4.573 0.000 7.156) 8.493 3.716 ( -3.155 0.000 6.847) 7.539 5.277 ( 1.555 0.000 6.253) 6.444 5.364 ( 0.161 0.000 -0.113) 0.197 5.384 ( 4.229 0.000 3.481) 5.478 5.449 ( 2.135 0.000 -1.467) 2.590 5.818 ( -1.645 0.000 0.950) 1.900 5.862 ( 0.699 0.000 1.713) 1.850 5.894 ( -1.518 0.000 1.529) 2.154 5.906 ( -0.006 0.000 0.802) 0.802 6.036 ( -0.029 0.000 1.081) 1.081 6.142 ( 2.787 0.000 -0.568) 2.844 6.305 ( -0.689 0.000 6.541) 6.577 6.571 ( 4.507 0.000 -1.094) 4.638 6.717 ( -3.853 0.000 6.054) 7.176 6.826 ( -0.312 0.000 6.113) 6.121 6.911 ( -3.241 0.000 4.322) 5.402 6.950 ( -0.878 0.000 6.866) 6.922 7.083 ( -2.813 0.000 0.683) 2.894 7.096 ( -4.562 0.000 -0.777) 4.627 7.294 ( 1.429 0.000 3.288) 3.585 7.380 ( -1.152 0.000 -1.323) 1.754 8.246 ( -11.231 0.000 0.787) 11.258 8.265 ( -12.244 0.000 -0.089) 12.244 8.386 ( -7.240 0.000 -1.963) 7.502 8.475 ( -5.501 0.000 -3.880) 6.732 ======================= Grid point 131 (70/102) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -9.199 0.000 4.822) 10.386 1.174 ( -7.276 0.000 4.772) 8.701 1.209 ( -4.538 0.000 1.351) 4.734 1.234 ( -7.065 0.000 5.252) 8.803 1.281 ( -6.363 0.000 3.055) 7.058 1.583 ( -5.757 0.000 3.427) 6.700 1.630 ( -7.790 0.000 3.768) 8.653 1.718 ( -3.087 0.000 0.669) 3.158 1.789 ( -4.177 0.000 3.232) 5.282 1.976 ( 0.455 0.000 0.097) 0.465 2.004 ( -0.453 0.000 -0.180) 0.488 2.142 ( -2.680 0.000 -0.669) 2.762 2.345 ( -1.369 0.000 -2.744) 3.066 2.381 ( 0.505 0.000 0.107) 0.516 2.412 ( 2.330 0.000 -2.087) 3.128 2.442 ( 1.709 0.000 -5.414) 5.678 2.680 ( -12.236 0.000 9.881) 15.727 2.854 ( -7.693 0.000 8.547) 11.499 2.874 ( -9.277 0.000 3.540) 9.929 2.950 ( -11.017 0.000 0.652) 11.037 3.053 ( -5.844 0.000 4.556) 7.410 3.205 ( -0.923 0.000 4.425) 4.521 3.624 ( -4.571 0.000 7.759) 9.006 3.660 ( -3.474 0.000 7.172) 7.969 5.357 ( 4.515 0.000 5.456) 7.082 5.384 ( 1.660 0.000 -0.117) 1.665 5.490 ( 4.718 0.000 3.580) 5.922 5.510 ( 3.927 0.000 -0.683) 3.986 5.797 ( -0.555 0.000 0.847) 1.012 5.856 ( -2.193 0.000 2.050) 3.002 5.872 ( 0.191 0.000 2.488) 2.495 5.912 ( -0.203 0.000 0.582) 0.616 6.072 ( 3.388 0.000 0.061) 3.389 6.189 ( 1.349 0.000 0.089) 1.352 6.322 ( 0.988 0.000 5.565) 5.652 6.647 ( -4.423 0.000 4.696) 6.451 6.663 ( 4.291 0.000 -1.279) 4.477 6.789 ( -3.798 0.000 4.475) 5.869 6.840 ( -5.508 0.000 3.765) 6.672 6.916 ( -7.503 0.000 4.394) 8.695 6.956 ( -4.886 0.000 2.309) 5.404 7.018 ( -3.966 0.000 3.738) 5.450 7.291 ( -2.613 0.000 -0.707) 2.707 7.299 ( -6.176 0.000 -4.000) 7.358 7.953 ( -15.505 0.000 1.750) 15.603 7.973 ( -13.609 0.000 4.408) 14.305 8.212 ( -7.596 0.000 -4.002) 8.586 8.288 ( -10.233 0.000 -7.283) 12.560 ======================= Grid point 132 (71/102) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -10.367 0.000 7.625) 12.869 0.976 ( -10.525 0.000 8.806) 13.722 1.089 ( -5.779 0.000 1.367) 5.939 1.127 ( -6.034 0.000 3.149) 6.807 1.171 ( -4.769 0.000 4.172) 6.336 1.433 ( -9.473 0.000 0.271) 9.477 1.512 ( -1.736 0.000 5.415) 5.686 1.647 ( -3.855 0.000 3.003) 4.887 1.774 ( 0.645 0.000 6.018) 6.053 2.000 ( 1.330 0.000 1.467) 1.980 2.061 ( 5.413 0.000 -0.520) 5.438 2.072 ( -2.594 0.000 -1.464) 2.979 2.271 ( -11.280 0.000 1.017) 11.325 2.277 ( -2.948 0.000 -6.851) 7.459 2.433 ( 0.212 0.000 -0.473) 0.518 2.448 ( 0.076 0.000 -5.991) 5.991 2.491 ( -7.588 0.000 2.261) 7.918 2.687 ( -11.776 0.000 3.414) 12.261 2.735 ( -6.666 0.000 4.548) 8.070 2.776 ( 0.045 0.000 5.311) 5.311 2.975 ( -3.496 0.000 10.808) 11.359 3.212 ( 0.572 0.000 3.086) 3.138 3.577 ( -1.683 0.000 8.558) 8.722 3.619 ( -2.129 0.000 7.698) 7.987 5.426 ( 2.274 0.000 0.574) 2.346 5.459 ( 3.180 0.000 3.259) 4.554 5.580 ( 2.964 0.000 3.262) 4.407 5.592 ( 3.559 0.000 0.501) 3.594 5.793 ( -0.410 0.000 0.772) 0.875 5.835 ( 0.334 0.000 1.043) 1.096 5.881 ( -0.070 0.000 1.805) 1.806 5.889 ( -2.439 0.000 0.188) 2.446 6.151 ( 3.380 0.000 -0.307) 3.394 6.192 ( -0.729 0.000 1.447) 1.620 6.377 ( 2.952 0.000 4.270) 5.191 6.567 ( -3.077 0.000 3.055) 4.336 6.674 ( -7.732 0.000 4.993) 9.204 6.703 ( -3.987 0.000 0.307) 3.999 6.705 ( -10.298 0.000 3.173) 10.776 6.761 ( 0.626 0.000 -4.107) 4.155 6.911 ( -7.176 0.000 7.003) 10.027 6.917 ( -0.830 0.000 4.581) 4.656 7.143 ( -5.725 0.000 -3.574) 6.749 7.185 ( -6.092 0.000 -2.898) 6.746 7.733 ( -5.499 0.000 4.210) 6.925 7.766 ( -7.777 0.000 8.074) 11.211 8.069 ( -8.107 0.000 -6.163) 10.183 8.084 ( -3.664 0.000 -5.131) 6.305 ======================= Grid point 133 (72/102) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 3.483 3.741 7.636) 9.188 0.960 ( -2.544 7.497 2.458) 8.290 1.001 ( 3.471 -2.885 5.963) 7.479 1.111 ( -1.834 0.313 2.657) 3.244 1.171 ( 3.230 5.004 6.699) 8.963 1.363 ( -0.255 3.927 1.618) 4.255 1.522 ( 0.842 -1.234 4.101) 4.365 1.609 ( 0.932 -2.384 2.894) 3.864 1.807 ( -1.270 4.361 8.790) 9.894 1.966 ( -3.312 1.648 0.338) 3.715 2.004 ( -11.685 0.318 3.527) 12.210 2.087 ( 0.072 -0.373 0.732) 0.825 2.172 ( 2.923 -1.208 -1.462) 3.485 2.228 ( -2.249 -3.008 -3.759) 5.314 2.283 ( 0.887 -0.556 -5.562) 5.660 2.355 ( -0.391 -4.362 -6.141) 7.542 2.496 ( -5.040 1.130 5.594) 7.614 2.594 ( 0.737 -1.319 4.518) 4.764 2.640 ( 1.900 2.657 2.237) 3.959 2.810 ( 4.155 -2.468 -1.840) 5.171 3.044 ( -1.090 7.832 13.340) 15.507 3.280 ( 0.562 3.617 3.636) 5.160 3.482 ( -0.246 -7.817 10.130) 12.798 3.570 ( -0.408 -4.576 6.127) 7.658 5.492 ( -1.033 1.884 1.987) 2.926 5.505 ( 1.112 2.231 1.352) 2.836 5.602 ( -0.792 -1.942 2.420) 3.202 5.626 ( 1.720 -2.510 1.481) 3.384 5.784 ( 0.747 -0.246 0.454) 0.908 5.803 ( -1.182 -0.862 -0.232) 1.481 5.879 ( -0.299 1.580 0.421) 1.662 5.898 ( 0.311 1.068 -0.198) 1.130 6.193 ( 0.067 3.494 4.117) 5.400 6.292 ( -1.164 5.733 -0.613) 5.882 6.419 ( 1.350 -1.055 5.079) 5.360 6.484 ( -5.535 -2.556 5.514) 8.221 6.540 ( -4.554 0.892 5.060) 6.866 6.588 ( -4.094 0.069 -0.212) 4.100 6.621 ( 2.955 -0.023 1.602) 3.361 6.743 ( 1.255 -2.411 -3.532) 4.457 6.843 ( -0.564 0.700 4.896) 4.978 6.926 ( 1.131 -2.528 5.460) 6.123 7.083 ( 1.545 -0.412 -3.028) 3.425 7.105 ( 1.456 -0.430 -3.647) 3.950 7.657 ( -3.229 -0.326 8.008) 8.641 7.700 ( -0.045 -1.602 5.399) 5.632 7.958 ( -1.394 1.147 -2.284) 2.911 8.023 ( -0.598 -0.877 -4.256) 4.386 ======================= Grid point 134 (73/102) ======================= q-point: ( 0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.069 3.585 4.932) 6.826 1.019 ( 4.519 7.603 5.541) 10.437 1.143 ( 3.142 -4.813 2.330) 6.202 1.160 ( 7.885 0.766 2.831) 8.413 1.344 ( 10.735 2.303 3.895) 11.649 1.445 ( 7.517 5.187 -0.734) 9.163 1.608 ( 6.201 -3.269 4.666) 8.420 1.671 ( 3.089 -2.198 0.871) 3.890 1.796 ( -0.052 4.084 7.141) 8.226 1.843 ( 0.150 0.912 5.882) 5.954 1.891 ( -3.088 3.034 0.341) 4.342 2.058 ( -2.496 -2.035 -0.125) 3.223 2.168 ( 1.027 0.082 -3.205) 3.366 2.270 ( 1.737 -2.046 0.497) 2.730 2.297 ( 1.555 1.569 1.890) 2.908 2.395 ( 1.466 -1.904 -1.272) 2.719 2.546 ( 9.451 -1.549 0.703) 9.603 2.644 ( 5.512 -5.368 5.787) 9.627 2.781 ( 8.608 3.189 0.084) 9.180 2.890 ( 3.975 -0.796 -3.338) 5.251 3.066 ( 0.445 8.512 13.185) 15.701 3.298 ( 0.233 4.014 3.021) 5.029 3.501 ( 0.047 -8.239 9.453) 12.540 3.583 ( 0.269 -4.829 5.592) 7.393 5.424 ( -4.243 1.608 1.600) 4.811 5.530 ( -0.677 2.095 0.906) 2.381 5.533 ( -5.336 -2.269 2.426) 6.285 5.633 ( -1.706 -1.617 0.820) 2.490 5.795 ( 0.130 2.096 0.288) 2.120 5.830 ( 2.798 -0.745 1.185) 3.128 5.885 ( 1.098 0.017 0.061) 1.100 5.908 ( 0.407 0.169 -0.110) 0.454 6.156 ( -3.223 2.621 3.190) 5.238 6.259 ( -1.757 4.769 0.794) 5.144 6.384 ( -3.634 -1.728 5.370) 6.710 6.480 ( -2.310 -0.532 6.555) 6.971 6.547 ( 7.018 2.017 6.086) 9.506 6.584 ( 4.274 3.007 1.267) 5.377 6.759 ( 7.485 -4.895 1.521) 9.072 6.794 ( 4.532 -3.252 -1.178) 5.702 6.914 ( 5.289 1.172 3.231) 6.307 6.949 ( 1.235 -0.360 5.391) 5.542 7.129 ( 2.127 0.389 -0.752) 2.290 7.189 ( 4.162 -1.726 -5.101) 6.806 7.689 ( 6.476 0.389 7.529) 9.939 7.777 ( 6.562 -3.405 4.973) 8.910 7.974 ( 3.492 2.141 -1.119) 4.246 8.035 ( 2.871 -0.613 -3.349) 4.454 ======================= Grid point 135 (74/102) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 2.663 1.138 6.194) 6.837 1.104 ( 2.733 3.673 6.925) 8.302 1.177 ( 0.634 -2.238 4.427) 5.001 1.283 ( 3.627 -0.130 1.825) 4.062 1.566 ( 9.362 3.445 -2.228) 10.222 1.618 ( 8.169 0.482 0.597) 8.204 1.724 ( 3.180 -0.416 0.486) 3.244 1.771 ( 5.653 -2.021 2.455) 6.486 1.837 ( 2.182 2.556 -2.767) 4.353 1.922 ( 6.502 3.302 5.826) 9.334 1.954 ( 3.526 -1.575 -0.213) 3.868 2.052 ( 2.738 0.397 2.472) 3.710 2.200 ( 1.644 -0.411 1.300) 2.136 2.286 ( -0.155 -2.191 2.015) 2.981 2.343 ( 2.158 2.118 -0.584) 3.079 2.405 ( 0.235 0.240 0.252) 0.420 2.780 ( 10.933 -1.545 1.404) 11.131 2.829 ( 9.284 -3.776 5.289) 11.332 2.944 ( 6.255 0.807 0.623) 6.338 2.986 ( 7.202 0.211 -1.908) 7.453 3.134 ( 3.027 8.190 11.245) 14.237 3.301 ( -0.497 5.458 3.114) 6.303 3.542 ( 1.868 -8.473 8.891) 12.423 3.612 ( 1.496 -5.539 5.250) 7.777 5.345 ( -3.599 1.055 2.153) 4.325 5.418 ( -5.859 -1.413 3.176) 6.812 5.489 ( -2.852 1.594 0.112) 3.269 5.560 ( -4.877 -0.922 0.164) 4.966 5.801 ( 0.400 2.863 0.847) 3.013 5.884 ( 1.877 -0.938 1.220) 2.427 5.904 ( -0.103 -0.076 1.093) 1.101 5.922 ( 1.420 -0.534 -0.563) 1.619 6.112 ( -1.559 3.465 1.635) 4.136 6.213 ( -2.926 5.387 0.790) 6.181 6.354 ( -1.051 -3.762 4.945) 6.301 6.435 ( -2.932 -1.331 4.921) 5.881 6.692 ( 4.555 2.611 3.002) 6.047 6.742 ( 8.744 1.977 6.855) 11.285 6.873 ( 2.206 -3.294 3.843) 5.521 6.929 ( 6.690 -4.173 1.240) 7.982 6.983 ( 1.810 1.550 5.024) 5.561 7.054 ( 4.501 -0.321 1.288) 4.693 7.167 ( 2.358 0.131 2.233) 3.250 7.196 ( -0.891 -0.818 -0.572) 1.338 7.959 ( 16.134 -0.233 2.845) 16.384 8.005 ( 13.913 -2.535 3.164) 14.491 8.108 ( 9.524 1.509 0.026) 9.643 8.137 ( 7.643 -0.135 -2.457) 8.030 ======================= Grid point 136 (75/102) ======================= q-point: ( 0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 3.366 -0.336 6.942) 7.722 1.174 ( 2.701 -2.849 7.002) 8.028 1.231 ( 2.929 3.172 3.932) 5.840 1.337 ( 1.308 -0.057 2.125) 2.496 1.702 ( 3.338 0.834 -2.209) 4.089 1.740 ( 3.490 -0.151 1.019) 3.639 1.799 ( 0.849 0.787 -2.294) 2.569 1.805 ( 1.567 1.312 3.612) 4.150 1.908 ( 2.873 -1.017 -3.521) 4.657 1.990 ( 0.980 -2.510 -0.834) 2.821 2.049 ( 4.529 2.899 2.087) 5.768 2.125 ( 3.099 2.017 1.797) 4.111 2.227 ( 0.183 -2.351 3.093) 3.889 2.272 ( -1.276 -2.512 -0.935) 2.968 2.366 ( 0.438 3.039 -3.035) 4.318 2.413 ( 0.638 1.145 -0.628) 1.453 2.954 ( 5.466 1.233 4.556) 7.222 3.007 ( 6.099 0.772 2.480) 6.629 3.080 ( 4.931 -1.164 3.656) 6.248 3.118 ( 4.156 -2.458 1.185) 4.972 3.222 ( 2.939 6.131 7.288) 9.967 3.306 ( 0.492 6.623 3.551) 7.531 3.608 ( 1.889 -7.894 8.621) 11.841 3.667 ( 2.170 -5.810 5.207) 8.098 5.293 ( -1.919 0.327 3.164) 3.715 5.322 ( -3.809 -0.517 4.224) 5.711 5.435 ( -2.247 0.693 0.170) 2.358 5.464 ( -3.633 -0.273 -0.783) 3.727 5.818 ( 1.027 2.410 0.946) 2.785 5.890 ( -1.026 -0.354 0.517) 1.202 5.918 ( 0.812 0.719 1.075) 1.527 5.942 ( 0.314 -0.120 0.434) 0.549 6.091 ( -1.293 3.036 2.201) 3.967 6.160 ( -1.496 5.461 -1.051) 5.759 6.325 ( -3.132 -3.778 7.142) 8.665 6.415 ( 0.641 -2.722 0.414) 2.827 6.766 ( 1.968 2.221 3.952) 4.942 6.870 ( -3.056 -0.817 9.324) 9.846 6.900 ( 3.364 0.507 6.328) 7.184 6.971 ( -1.166 -3.181 1.394) 3.663 7.068 ( 4.087 0.771 -0.054) 4.160 7.083 ( 0.586 -0.430 1.051) 1.278 7.211 ( 1.809 0.378 3.860) 4.280 7.263 ( 4.538 -1.457 3.953) 6.192 8.263 ( 10.928 0.223 0.198) 10.932 8.302 ( 10.893 -1.087 -0.607) 10.964 8.314 ( 9.938 0.061 0.314) 9.943 8.332 ( 10.343 -0.251 1.236) 10.419 ======================= Grid point 137 (76/102) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 1.636 -0.664 6.674) 6.904 1.225 ( -0.074 -3.293 3.454) 4.773 1.291 ( 1.845 2.564 4.980) 5.897 1.352 ( -0.443 0.370 1.977) 2.059 1.682 ( -5.349 2.132 5.006) 7.630 1.760 ( -3.483 -0.878 3.187) 4.802 1.769 ( -0.358 -0.949 -2.696) 2.881 1.806 ( -2.621 -1.805 -0.600) 3.239 1.952 ( 1.742 0.356 -2.475) 3.047 1.989 ( -0.650 0.231 -1.381) 1.543 2.143 ( 3.173 1.550 0.839) 3.630 2.174 ( 1.123 1.925 0.598) 2.308 2.205 ( -0.894 -0.602 -1.747) 2.053 2.267 ( 0.888 -3.474 3.010) 4.682 2.371 ( 1.212 3.150 -4.456) 5.590 2.427 ( 0.993 0.998 -2.513) 2.880 3.027 ( -0.084 2.021 4.152) 4.619 3.082 ( 1.128 1.494 1.625) 2.479 3.091 ( -4.609 0.946 8.626) 9.826 3.159 ( -0.967 -1.462 3.251) 3.694 3.258 ( -1.682 2.871 3.693) 4.971 3.336 ( 1.023 6.161 3.165) 7.001 3.637 ( -1.444 -8.077 8.642) 11.917 3.703 ( -0.370 -5.657 5.286) 7.751 5.271 ( -1.037 0.555 5.259) 5.389 5.304 ( 0.947 -0.807 4.060) 4.246 5.393 ( -1.472 0.880 0.084) 1.717 5.425 ( -0.133 -0.383 -1.441) 1.497 5.844 ( 1.025 1.069 1.089) 1.839 5.861 ( -1.789 0.293 0.659) 1.928 5.927 ( -0.523 1.572 1.035) 1.953 5.936 ( -0.674 0.700 1.063) 1.440 6.060 ( -1.895 1.853 2.993) 3.997 6.164 ( 1.975 5.488 -2.279) 6.262 6.283 ( -2.132 -3.052 6.831) 7.779 6.451 ( 2.747 -3.831 -0.746) 4.772 6.807 ( -1.374 1.662 6.359) 6.715 6.809 ( -1.398 1.595 6.426) 6.767 6.924 ( -1.012 -1.965 6.135) 6.521 6.941 ( -2.256 -2.651 2.544) 4.312 7.105 ( 0.556 0.050 1.751) 1.838 7.129 ( 0.938 0.060 -0.081) 0.943 7.261 ( 1.929 1.318 4.730) 5.276 7.346 ( 2.544 -1.674 1.676) 3.476 8.380 ( -0.102 0.749 -0.117) 0.765 8.398 ( -0.240 0.118 -0.841) 0.882 8.460 ( 1.113 -0.455 0.255) 1.229 8.486 ( 3.349 -1.425 -0.775) 3.721 ======================= Grid point 138 (77/102) ======================= q-point: (-0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -3.022 -1.173 4.293) 5.380 1.189 ( -2.543 -2.549 3.576) 5.075 1.304 ( -2.834 1.658 2.670) 4.232 1.327 ( -1.806 0.129 2.490) 3.079 1.536 ( -9.093 4.555 6.249) 11.936 1.652 ( -7.055 -2.944 2.476) 8.036 1.718 ( -3.188 -0.902 3.174) 4.588 1.774 ( -0.915 -2.600 -0.073) 2.757 1.939 ( -4.184 3.339 -0.608) 5.388 1.949 ( -1.859 -0.095 0.609) 1.959 2.112 ( -2.629 3.642 -1.807) 4.842 2.185 ( -0.160 0.992 0.197) 1.024 2.277 ( 4.645 -1.667 -0.148) 4.937 2.305 ( 2.339 -2.736 0.630) 3.655 2.393 ( 1.420 2.018 -2.825) 3.751 2.439 ( 0.976 0.600 -4.421) 4.567 2.928 ( -10.527 0.908 6.793) 12.561 2.989 ( -6.405 0.348 7.334) 9.744 3.052 ( -5.827 1.450 0.583) 6.033 3.119 ( -2.755 -0.015 5.307) 5.979 3.167 ( -7.396 3.323 3.297) 8.753 3.333 ( -2.229 6.988 3.916) 8.315 3.589 ( -4.784 -9.292 8.884) 13.717 3.674 ( -3.279 -5.498 5.360) 8.349 5.293 ( 1.988 1.396 6.038) 6.508 5.357 ( 2.517 -0.908 2.971) 3.998 5.392 ( 1.927 0.886 0.779) 2.259 5.441 ( 1.907 -0.778 -1.194) 2.381 5.822 ( -1.794 0.458 1.182) 2.197 5.861 ( -0.202 -1.132 1.477) 1.872 5.904 ( -1.176 2.223 1.612) 2.987 5.928 ( -0.610 0.917 1.036) 1.512 6.045 ( 0.083 2.114 2.413) 3.209 6.213 ( 2.800 3.959 -1.320) 5.026 6.276 ( 0.129 -1.012 5.497) 5.591 6.519 ( 3.744 -4.618 -0.940) 6.019 6.751 ( -3.104 2.743 5.678) 7.029 6.834 ( -0.819 0.606 6.230) 6.312 6.894 ( -2.404 -1.485 4.502) 5.315 6.925 ( -0.815 -2.223 6.418) 6.841 7.082 ( -3.124 -0.013 1.161) 3.333 7.092 ( -4.465 -0.361 -0.252) 4.487 7.305 ( 0.956 1.056 2.334) 2.735 7.367 ( -0.828 -1.205 -1.034) 1.790 8.257 ( -11.212 0.899 0.502) 11.260 8.268 ( -11.935 0.262 -0.113) 11.938 8.383 ( -7.280 -0.074 -2.053) 7.564 8.448 ( -5.990 -2.310 -3.317) 7.227 ======================= Grid point 139 (78/102) ======================= q-point: (-0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -8.610 -0.472 4.510) 9.731 1.139 ( -4.571 -3.566 3.418) 6.730 1.222 ( -4.744 0.767 1.868) 5.156 1.252 ( -6.362 0.703 3.759) 7.423 1.373 ( -7.622 7.130 5.303) 11.707 1.518 ( -6.226 -2.458 4.254) 7.931 1.664 ( -3.609 0.846 5.113) 6.316 1.740 ( -3.486 -1.541 2.322) 4.463 1.827 ( -5.371 4.804 0.082) 7.207 1.901 ( -1.433 -2.951 1.614) 3.657 2.071 ( -0.842 3.681 -1.652) 4.121 2.161 ( -2.098 1.034 -0.327) 2.361 2.325 ( 0.202 -0.835 -1.231) 1.502 2.368 ( 2.244 -2.620 -2.958) 4.544 2.399 ( -0.791 0.697 -0.687) 1.258 2.450 ( 1.029 -0.433 -4.480) 4.617 2.695 ( -12.282 1.881 7.905) 14.727 2.838 ( -8.710 -2.602 4.944) 10.348 2.885 ( -9.466 1.452 3.045) 10.049 2.956 ( -11.532 -0.708 0.886) 11.587 3.085 ( -3.411 5.580 8.668) 10.858 3.287 ( -2.416 6.809 4.613) 8.572 3.511 ( -4.269 -9.348 9.324) 13.876 3.614 ( -3.353 -5.273 5.813) 8.534 5.378 ( 4.457 1.830 5.038) 6.971 5.402 ( 2.313 1.557 0.368) 2.812 5.480 ( 4.696 -1.050 3.632) 6.029 5.496 ( 3.438 -1.360 -0.536) 3.735 5.797 ( -0.890 0.221 1.533) 1.786 5.842 ( -1.544 -1.274 2.201) 2.975 5.894 ( -0.377 1.465 1.659) 2.245 5.915 ( -0.860 0.230 0.538) 1.040 6.079 ( 2.600 2.348 1.935) 4.002 6.261 ( 1.927 0.534 0.679) 2.112 6.314 ( 2.100 3.616 3.269) 5.307 6.588 ( 2.262 -4.528 0.789) 5.122 6.700 ( -2.820 2.478 3.025) 4.821 6.789 ( -4.212 -0.052 4.927) 6.482 6.837 ( -4.973 -0.240 3.423) 6.042 6.907 ( -4.223 -3.938 3.572) 6.790 6.942 ( -7.482 2.033 3.478) 8.497 7.013 ( -4.295 -0.687 3.379) 5.508 7.285 ( -3.773 -0.296 -1.616) 4.115 7.296 ( -5.278 -0.402 -3.655) 6.433 7.959 ( -15.371 0.777 1.933) 15.512 7.984 ( -13.822 0.573 3.473) 14.263 8.202 ( -8.185 -0.529 -4.219) 9.223 8.261 ( -9.737 -2.300 -5.916) 11.623 ======================= Grid point 140 (79/102) ======================= q-point: (-0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -8.131 1.810 7.240) 11.036 1.022 ( -6.227 -2.446 5.598) 8.723 1.096 ( -8.205 2.454 2.549) 8.936 1.147 ( -3.496 0.189 4.413) 5.633 1.231 ( -7.300 7.722 5.099) 11.786 1.417 ( -4.539 -0.345 4.002) 6.061 1.562 ( -5.456 2.623 3.074) 6.789 1.647 ( -4.717 -1.168 2.840) 5.628 1.784 ( 0.449 2.859 4.436) 5.297 1.937 ( 3.570 -3.856 2.114) 5.664 2.071 ( 0.689 1.325 -1.093) 1.851 2.122 ( -0.129 2.320 -1.077) 2.561 2.268 ( -10.616 -0.105 0.399) 10.624 2.286 ( -3.030 1.087 -6.279) 7.056 2.380 ( -1.399 -3.704 -2.445) 4.653 2.413 ( -5.591 -3.228 -2.723) 7.007 2.543 ( -1.550 3.846 2.186) 4.688 2.678 ( -9.639 -1.200 4.943) 10.899 2.724 ( -8.443 -0.367 3.386) 9.104 2.760 ( -1.263 -1.737 1.505) 2.622 3.048 ( -2.311 6.858 11.821) 13.860 3.268 ( -0.501 4.785 4.122) 6.336 3.472 ( -1.584 -8.287 10.061) 13.130 3.575 ( -1.706 -4.914 6.351) 8.209 5.447 ( 2.449 1.988 0.713) 3.234 5.483 ( 3.078 2.126 3.194) 4.919 5.566 ( 2.856 -2.000 0.985) 3.623 5.572 ( 3.150 -1.325 2.900) 4.482 5.787 ( -0.641 -0.245 1.239) 1.417 5.824 ( -0.621 -1.252 1.464) 2.024 5.894 ( -0.890 0.711 -0.163) 1.150 5.894 ( -0.226 0.824 1.163) 1.443 6.146 ( 2.872 2.579 2.903) 4.830 6.298 ( 1.135 4.051 -1.033) 4.332 6.365 ( 2.240 1.085 4.468) 5.114 6.577 ( -3.144 -0.110 3.424) 4.650 6.636 ( -6.275 -2.226 4.329) 7.942 6.697 ( -7.108 -0.579 4.029) 8.190 6.716 ( -6.991 0.586 -1.312) 7.137 6.747 ( -1.785 -1.330 -3.191) 3.891 6.898 ( -1.910 -0.634 6.344) 6.655 6.915 ( -5.378 -0.504 5.732) 7.876 7.139 ( -6.092 -0.158 -4.080) 7.334 7.173 ( -5.962 -1.142 -3.405) 6.960 7.732 ( -6.708 0.247 5.065) 8.409 7.769 ( -7.713 -0.243 6.419) 10.038 8.045 ( -5.994 -0.809 -5.048) 7.878 8.084 ( -4.770 -0.832 -4.953) 6.926 ======================= Grid point 141 (80/102) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 3.766 -4.756 6.444) 8.850 0.915 ( 3.766 4.756 6.444) 8.850 1.061 ( -0.531 -3.343 1.580) 3.735 1.061 ( -0.531 3.343 1.580) 3.735 1.344 ( 0.186 -6.953 6.989) 9.861 1.344 ( 0.186 6.953 6.989) 9.861 1.538 ( -0.261 -3.394 2.569) 4.265 1.538 ( -0.261 3.394 2.569) 4.265 1.938 ( -1.054 -5.750 5.829) 8.256 1.938 ( -1.054 5.750 5.829) 8.256 2.046 ( -5.852 -3.534 1.283) 6.956 2.046 ( -5.852 3.534 1.283) 6.956 2.172 ( -0.085 -1.636 -3.331) 3.712 2.172 ( -0.085 1.636 -3.331) 3.712 2.286 ( 0.599 -1.703 -6.423) 6.672 2.286 ( 0.599 1.703 -6.423) 6.672 2.534 ( -4.362 -2.600 7.267) 8.866 2.534 ( -4.362 2.600 7.267) 8.866 2.735 ( 4.782 -4.562 -2.118) 6.940 2.735 ( 4.782 4.562 -2.118) 6.940 3.235 ( -0.396 -9.538 11.245) 14.750 3.235 ( -0.396 9.538 11.245) 14.750 3.444 ( -0.105 -6.060 5.547) 8.216 3.444 ( -0.105 6.060 5.547) 8.216 5.546 ( -1.232 -2.898 2.238) 3.863 5.546 ( -1.232 2.898 2.238) 3.863 5.564 ( 1.336 -3.036 1.404) 3.601 5.564 ( 1.336 3.036 1.404) 3.601 5.787 ( 0.559 -0.526 0.348) 0.842 5.787 ( 0.559 0.526 0.348) 0.842 5.905 ( -0.163 -0.528 -0.080) 0.559 5.905 ( -0.163 0.528 -0.080) 0.559 6.301 ( -1.343 -5.350 4.248) 6.962 6.301 ( -1.343 5.350 4.248) 6.962 6.435 ( -0.211 -2.992 3.013) 4.251 6.435 ( -0.211 2.992 3.013) 4.251 6.556 ( -3.640 -1.199 4.717) 6.078 6.556 ( -3.640 1.199 4.717) 6.078 6.675 ( -0.280 -3.782 -2.714) 4.663 6.675 ( -0.280 3.782 -2.714) 4.663 6.873 ( 0.617 -2.200 4.888) 5.396 6.873 ( 0.617 2.200 4.888) 5.396 7.088 ( 1.619 -0.850 -3.729) 4.153 7.088 ( 1.619 0.850 -3.729) 4.153 7.665 ( -2.050 -1.278 6.719) 7.140 7.665 ( -2.050 1.278 6.719) 7.140 7.993 ( -0.559 -1.874 -3.139) 3.698 7.993 ( -0.559 1.874 -3.139) 3.698 ======================= Grid point 143 (81/102) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 2.455 -5.322 4.000) 7.096 1.017 ( 2.455 5.322 4.000) 7.096 1.146 ( 6.037 -2.996 1.784) 6.972 1.146 ( 6.037 2.996 1.784) 6.972 1.443 ( 7.871 -5.478 5.506) 11.058 1.443 ( 7.871 5.478 5.506) 11.058 1.608 ( 5.317 -3.475 0.979) 6.427 1.608 ( 5.317 3.475 0.979) 6.427 1.850 ( -1.593 -0.775 5.373) 5.658 1.850 ( -1.593 0.775 5.373) 5.658 1.986 ( -2.220 -4.952 0.457) 5.446 1.986 ( -2.220 4.952 0.457) 5.446 2.209 ( 2.141 -3.448 -0.833) 4.143 2.209 ( 2.141 3.448 -0.833) 4.143 2.341 ( 3.434 -2.707 -0.436) 4.394 2.341 ( 3.434 2.707 -0.436) 4.394 2.555 ( 6.231 -2.648 4.574) 8.171 2.555 ( 6.231 2.648 4.574) 8.171 2.849 ( 6.134 -3.006 -2.237) 7.188 2.849 ( 6.134 3.006 -2.237) 7.188 3.268 ( 1.171 -10.069 10.833) 14.836 3.268 ( 1.171 10.069 10.833) 14.836 3.450 ( -0.557 -6.610 4.694) 8.127 3.450 ( -0.557 6.610 4.694) 8.127 5.475 ( -4.845 -3.008 2.149) 6.094 5.475 ( -4.845 3.008 2.149) 6.094 5.585 ( -0.894 -2.831 1.143) 3.182 5.585 ( -0.894 2.831 1.143) 3.182 5.821 ( 2.170 -0.444 0.067) 2.216 5.821 ( 2.170 0.444 0.067) 2.216 5.899 ( -0.205 -0.992 0.062) 1.015 5.899 ( -0.205 0.992 0.062) 1.015 6.239 ( -2.947 -4.544 4.060) 6.769 6.239 ( -2.947 4.544 4.060) 6.769 6.435 ( -3.073 -3.996 4.767) 6.938 6.435 ( -3.073 3.996 4.767) 6.938 6.608 ( 7.164 -3.091 3.738) 8.651 6.608 ( 7.164 3.091 3.738) 8.651 6.711 ( 4.491 -3.235 0.216) 5.539 6.711 ( 4.491 3.235 0.216) 5.539 6.936 ( 3.709 -0.862 4.219) 5.684 6.936 ( 3.709 0.862 4.219) 5.684 7.150 ( 3.374 -1.690 -3.562) 5.189 7.150 ( 3.374 1.690 -3.562) 5.189 7.715 ( 6.354 -2.241 6.359) 9.265 7.715 ( 6.354 2.241 6.359) 9.265 8.013 ( 3.323 -1.552 -2.275) 4.316 8.013 ( 3.323 1.552 -2.275) 4.316 ======================= Grid point 145 (82/102) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.833 -3.996 5.615) 6.942 1.051 ( 0.833 3.996 5.615) 6.942 1.242 ( 3.221 -3.908 2.387) 5.598 1.242 ( 3.221 3.908 2.387) 5.598 1.624 ( 6.950 -1.102 -0.209) 7.040 1.624 ( 6.950 1.102 -0.209) 7.040 1.724 ( 6.050 -1.832 2.766) 6.900 1.724 ( 6.050 1.832 2.766) 6.900 1.894 ( 1.803 -2.855 -1.627) 3.748 1.894 ( 1.803 2.855 -1.627) 3.748 2.019 ( 4.993 -3.598 4.483) 7.614 2.019 ( 4.993 3.598 4.483) 7.614 2.229 ( -0.081 -2.850 0.873) 2.982 2.229 ( -0.081 2.850 0.873) 2.982 2.391 ( 1.833 -1.804 -0.312) 2.591 2.391 ( 1.833 1.804 -0.312) 2.591 2.773 ( 11.710 -1.298 3.858) 12.397 2.773 ( 11.710 1.298 3.858) 12.397 2.969 ( 5.814 -1.435 -0.832) 6.046 2.969 ( 5.814 1.435 -0.832) 6.046 3.334 ( 2.208 -10.704 10.427) 15.105 3.334 ( 2.208 10.704 10.427) 15.105 3.456 ( 0.793 -8.619 3.842) 9.470 3.456 ( 0.793 8.619 3.842) 9.470 5.379 ( -4.659 -2.058 2.960) 5.891 5.379 ( -4.659 2.058 2.960) 5.891 5.529 ( -3.957 -1.987 0.267) 4.436 5.529 ( -3.957 1.987 0.267) 4.436 5.856 ( 0.958 -2.035 0.140) 2.254 5.856 ( 0.958 2.035 0.140) 2.254 5.908 ( 1.089 -0.555 0.557) 1.344 5.908 ( 1.089 0.555 0.557) 1.344 6.212 ( -1.196 -5.265 3.198) 6.275 6.212 ( -1.196 5.265 3.198) 6.275 6.370 ( -3.508 -4.592 2.986) 6.505 6.370 ( -3.508 4.592 2.986) 6.505 6.761 ( 5.123 -2.688 4.252) 7.180 6.761 ( 5.123 2.688 4.252) 7.180 6.838 ( 5.967 -2.746 3.916) 7.647 6.838 ( 5.967 2.746 3.916) 7.647 7.025 ( 3.270 -2.109 3.689) 5.362 7.025 ( 3.270 2.109 3.689) 5.362 7.178 ( 0.837 -0.827 -0.305) 1.216 7.178 ( 0.837 0.827 -0.305) 1.216 7.966 ( 15.372 -1.081 3.215) 15.741 7.966 ( 15.372 1.081 3.215) 15.741 8.130 ( 8.344 -0.628 -1.309) 8.470 8.130 ( 8.344 0.628 -1.309) 8.470 ======================= Grid point 147 (83/102) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 2.722 -2.766 6.215) 7.328 1.104 ( 2.722 2.766 6.215) 7.328 1.304 ( 2.110 -2.990 2.735) 4.569 1.304 ( 2.110 2.990 2.735) 4.569 1.723 ( 2.651 -1.035 -0.658) 2.921 1.723 ( 2.651 1.035 -0.658) 2.921 1.814 ( 0.916 -0.980 1.243) 1.829 1.814 ( 0.916 0.980 1.243) 1.829 1.932 ( 2.635 -2.896 -1.775) 4.299 1.932 ( 2.635 2.896 -1.775) 4.299 2.119 ( 3.340 -2.950 3.633) 5.750 2.119 ( 3.340 2.950 3.633) 5.750 2.218 ( -0.847 -2.058 0.032) 2.225 2.218 ( -0.847 2.058 0.032) 2.225 2.416 ( 0.926 -1.215 -2.577) 2.995 2.416 ( 0.926 1.215 -2.577) 2.995 2.993 ( 7.476 -2.022 4.042) 8.736 2.993 ( 7.476 2.022 4.042) 8.736 3.078 ( 4.173 -1.177 1.167) 4.490 3.078 ( 4.173 1.177 1.167) 4.490 3.380 ( -0.009 -7.008 8.778) 11.232 3.380 ( -0.009 7.008 8.778) 11.232 3.513 ( 2.923 -6.517 4.520) 8.452 3.513 ( 2.923 6.517 4.520) 8.452 5.307 ( -2.919 -0.864 4.035) 5.054 5.307 ( -2.919 0.864 4.035) 5.054 5.452 ( -2.957 -0.832 -0.311) 3.088 5.452 ( -2.957 0.832 -0.311) 3.088 5.866 ( 0.097 -1.899 0.156) 1.908 5.866 ( 0.097 1.899 0.156) 1.908 5.934 ( 0.908 -0.675 0.952) 1.479 5.934 ( 0.908 0.675 0.952) 1.479 6.185 ( -2.289 -4.956 3.835) 6.672 6.185 ( -2.289 4.956 3.835) 6.672 6.325 ( -0.815 -5.321 0.284) 5.390 6.325 ( -0.815 5.321 0.284) 5.390 6.828 ( 0.763 -3.245 5.256) 6.224 6.828 ( 0.763 3.245 5.256) 6.224 6.918 ( -0.267 -1.526 5.698) 5.905 6.918 ( -0.267 1.526 5.698) 5.905 7.076 ( 2.348 -0.266 0.332) 2.386 7.076 ( 2.348 0.266 0.332) 2.386 7.230 ( 3.260 -1.480 3.927) 5.313 7.230 ( 3.260 1.480 3.927) 5.313 8.276 ( 11.824 -1.061 0.264) 11.875 8.276 ( 11.824 1.061 0.264) 11.875 8.322 ( 9.288 -0.562 0.316) 9.310 8.322 ( 9.288 0.562 0.316) 9.310 ======================= Grid point 149 (84/102) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 1.047 -2.103 5.062) 5.580 1.164 ( 1.047 2.103 5.062) 5.580 1.338 ( 0.384 -1.707 3.026) 3.495 1.338 ( 0.384 1.707 3.026) 3.495 1.720 ( -3.522 -1.617 3.817) 5.439 1.720 ( -3.522 1.617 3.817) 5.439 1.776 ( -3.232 -0.941 -2.028) 3.930 1.776 ( -3.232 0.941 -2.028) 3.930 1.979 ( 1.478 -1.458 -0.656) 2.177 1.979 ( 1.478 1.458 -0.656) 2.177 2.184 ( 2.215 -1.871 -0.835) 3.017 2.184 ( 2.215 1.871 -0.835) 3.017 2.206 ( 0.048 -1.796 2.675) 3.222 2.206 ( 0.048 1.796 2.675) 3.222 2.424 ( 0.814 -1.461 -4.161) 4.485 2.424 ( 0.814 1.461 -4.161) 4.485 3.065 ( -1.863 -1.768 4.401) 5.096 3.065 ( -1.863 1.768 4.401) 5.096 3.133 ( 0.587 -1.773 2.036) 2.762 3.133 ( 0.587 1.773 2.036) 2.762 3.384 ( -1.561 -7.016 7.895) 10.677 3.384 ( -1.561 7.016 7.895) 10.677 3.555 ( -0.579 -6.145 4.995) 7.940 3.555 ( -0.579 6.145 4.995) 7.940 5.285 ( -0.064 -0.854 4.947) 5.021 5.285 ( -0.064 0.854 4.947) 5.021 5.412 ( -0.765 -0.871 -0.691) 1.349 5.412 ( -0.765 0.871 -0.691) 1.349 5.860 ( -0.804 -0.436 0.606) 1.098 5.860 ( -0.804 0.436 0.606) 1.098 5.944 ( -0.220 -0.072 1.139) 1.162 5.944 ( -0.220 0.072 1.139) 1.162 6.148 ( -1.781 -5.672 4.329) 7.355 6.148 ( -1.781 5.672 4.329) 7.355 6.338 ( 1.952 -6.731 -1.184) 7.108 6.338 ( 1.952 6.731 -1.184) 7.108 6.838 ( -1.063 -0.043 6.980) 7.060 6.838 ( -1.063 0.043 6.980) 7.060 6.893 ( -1.774 -0.551 3.920) 4.338 6.893 ( -1.774 0.551 3.920) 4.338 7.116 ( 0.436 -0.898 1.071) 1.465 7.116 ( 0.436 0.898 1.071) 1.465 7.302 ( 2.514 -2.362 3.046) 4.602 7.302 ( 2.514 2.362 3.046) 4.602 8.396 ( -0.109 -0.516 -0.532) 0.749 8.396 ( -0.109 0.516 -0.532) 0.749 8.459 ( 2.137 -0.697 -0.212) 2.257 8.459 ( 2.137 0.697 -0.212) 2.257 ======================= Grid point 151 (85/102) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -3.025 -0.631 3.792) 4.892 1.154 ( -3.025 0.631 3.792) 4.892 1.326 ( -2.501 -0.522 2.407) 3.510 1.326 ( -2.501 0.522 2.407) 3.510 1.606 ( -7.174 -2.058 4.651) 8.793 1.606 ( -7.174 2.058 4.651) 8.793 1.720 ( -2.087 -1.685 1.508) 3.077 1.720 ( -2.087 1.685 1.508) 3.077 1.967 ( -2.827 -0.725 0.503) 2.961 1.967 ( -2.827 0.725 0.503) 2.961 2.179 ( -1.030 -1.976 -1.061) 2.468 2.179 ( -1.030 1.976 -1.061) 2.468 2.264 ( 3.550 -0.722 0.961) 3.748 2.264 ( 3.550 0.722 0.961) 3.748 2.430 ( 0.630 -1.406 -4.305) 4.572 2.430 ( 0.630 1.406 -4.305) 4.572 2.959 ( -8.794 -2.087 5.476) 10.568 2.959 ( -8.794 2.087 5.476) 10.568 3.090 ( -5.388 -1.961 1.092) 5.837 3.090 ( -5.388 1.961 1.092) 5.837 3.347 ( -4.008 -11.263 9.299) 15.146 3.347 ( -4.008 11.263 9.299) 15.146 3.517 ( -3.532 -8.489 4.744) 10.346 3.517 ( -3.532 8.489 4.744) 10.346 5.328 ( 2.888 -1.781 5.192) 6.203 5.328 ( 2.888 1.781 5.192) 6.203 5.417 ( 1.399 -1.389 -0.687) 2.088 5.417 ( 1.399 1.389 -0.687) 2.088 5.838 ( -1.472 -0.987 1.471) 2.303 5.838 ( -1.472 0.987 1.471) 2.303 5.933 ( -0.971 -0.509 1.121) 1.568 5.933 ( -0.971 0.509 1.121) 1.568 6.141 ( 0.207 -6.155 4.000) 7.343 6.141 ( 0.207 6.155 4.000) 7.343 6.392 ( 3.402 -7.343 -1.321) 8.200 6.392 ( 3.402 7.343 -1.321) 8.200 6.815 ( -2.461 -2.992 6.151) 7.269 6.815 ( -2.461 2.992 6.151) 7.269 6.883 ( -0.919 -1.269 5.123) 5.358 6.883 ( -0.919 1.269 5.123) 5.358 7.084 ( -3.716 -0.292 1.107) 3.888 7.084 ( -3.716 0.292 1.107) 3.888 7.335 ( -0.053 -1.709 0.263) 1.730 7.335 ( -0.053 1.709 0.263) 1.730 8.271 ( -11.422 -0.218 -0.006) 11.424 8.271 ( -11.422 0.218 -0.006) 11.424 8.399 ( -6.883 -1.867 -2.406) 7.527 8.399 ( -6.883 1.867 -2.406) 7.527 ======================= Grid point 153 (86/102) ======================= q-point: (-0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -6.419 -2.846 4.340) 8.255 1.064 ( -6.419 2.846 4.340) 8.255 1.244 ( -5.407 -1.143 2.148) 5.929 1.244 ( -5.407 1.143 2.148) 5.929 1.480 ( -5.940 -2.614 5.379) 8.428 1.480 ( -5.940 2.614 5.379) 8.428 1.688 ( -2.482 -2.156 4.338) 5.443 1.688 ( -2.482 2.156 4.338) 5.443 1.882 ( -4.173 -0.414 0.344) 4.207 1.882 ( -4.173 0.414 0.344) 4.207 2.148 ( -1.599 -2.794 -0.866) 3.334 2.148 ( -1.599 2.794 -0.866) 3.334 2.326 ( 1.742 -1.050 -1.923) 2.799 2.326 ( 1.742 1.050 -1.923) 2.799 2.421 ( -1.116 -1.644 -2.331) 3.063 2.421 ( -1.116 1.644 -2.331) 3.063 2.761 ( -10.265 -4.095 5.018) 12.138 2.761 ( -10.265 4.095 5.018) 12.138 2.923 ( -10.244 -1.979 1.051) 10.486 2.923 ( -10.244 1.979 1.051) 10.486 3.277 ( -4.494 -11.428 10.890) 16.413 3.277 ( -4.494 11.428 10.890) 16.413 3.461 ( -2.590 -8.571 4.800) 10.159 3.461 ( -2.590 8.571 4.800) 10.159 5.419 ( 4.363 -1.285 3.642) 5.827 5.419 ( 4.363 1.285 3.642) 5.827 5.465 ( 3.134 -0.956 0.729) 3.356 5.465 ( 3.134 0.956 0.729) 3.356 5.813 ( -1.242 -1.281 2.145) 2.791 5.813 ( -1.242 1.281 2.145) 2.791 5.914 ( -0.947 -0.457 0.754) 1.293 5.914 ( -0.947 0.457 0.754) 1.293 6.174 ( 2.071 -5.772 3.389) 7.006 6.174 ( 2.071 5.772 3.389) 7.006 6.463 ( 3.189 -7.430 -0.308) 8.092 6.463 ( 3.189 7.430 -0.308) 8.092 6.763 ( -4.235 -3.031 4.913) 7.160 6.763 ( -4.235 3.031 4.913) 7.160 6.842 ( -4.735 -1.332 3.130) 5.831 6.842 ( -4.735 1.332 3.130) 5.831 6.986 ( -5.455 -1.930 3.548) 6.788 6.986 ( -5.455 1.930 3.548) 6.788 7.286 ( -4.680 -0.383 -2.956) 5.549 7.286 ( -4.680 0.383 -2.956) 5.549 7.981 ( -14.729 -0.929 2.186) 14.919 7.981 ( -14.729 0.929 2.186) 14.919 8.213 ( -8.911 -1.754 -4.363) 10.075 8.213 ( -8.911 1.754 -4.363) 10.075 ======================= Grid point 155 (87/102) ======================= q-point: (-0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -6.205 -4.440 6.531) 10.043 0.932 ( -6.205 4.440 6.531) 10.043 1.134 ( -5.500 -1.221 2.716) 6.254 1.134 ( -5.500 1.221 2.716) 6.254 1.382 ( -4.670 -4.601 6.178) 9.008 1.382 ( -4.670 4.601 6.178) 9.008 1.603 ( -5.672 -2.082 3.216) 6.845 1.603 ( -5.672 2.082 3.216) 6.845 1.868 ( 2.748 -3.523 2.050) 4.916 1.868 ( 2.748 3.523 2.050) 4.916 2.119 ( -0.944 -2.651 -0.762) 2.916 2.119 ( -0.944 2.651 -0.762) 2.916 2.290 ( -6.021 -2.387 -2.498) 6.942 2.290 ( -6.021 2.387 -2.498) 6.942 2.344 ( -4.571 -2.625 -3.060) 6.095 2.344 ( -4.571 2.625 -3.060) 6.095 2.627 ( -3.881 -3.744 4.082) 6.764 2.627 ( -3.881 3.744 4.082) 6.764 2.728 ( -6.517 -0.867 0.945) 6.642 2.728 ( -6.517 0.867 0.945) 6.642 3.233 ( -2.182 -9.924 11.419) 15.285 3.233 ( -2.182 9.924 11.419) 15.285 3.438 ( -0.837 -7.046 5.510) 8.984 3.438 ( -0.837 7.046 5.510) 8.984 5.502 ( 3.046 -2.869 0.896) 4.279 5.502 ( 3.046 2.869 0.896) 4.279 5.537 ( 2.547 -2.018 3.078) 4.476 5.537 ( 2.547 2.018 3.078) 4.476 5.795 ( -1.020 -1.110 1.542) 2.156 5.795 ( -1.020 1.110 1.542) 2.156 5.904 ( -0.042 -0.027 0.378) 0.381 5.904 ( -0.042 0.027 0.378) 0.381 6.242 ( 3.647 -5.412 3.030) 7.195 6.242 ( 3.647 5.412 3.030) 7.195 6.490 ( -1.931 -6.805 2.267) 7.428 6.490 ( -1.931 6.805 2.267) 7.428 6.659 ( -6.151 -2.750 3.950) 7.811 6.659 ( -6.151 2.750 3.950) 7.811 6.727 ( -4.708 -0.503 -2.006) 5.142 6.727 ( -4.708 0.503 -2.006) 5.142 6.899 ( -3.899 -0.721 6.105) 7.280 6.899 ( -3.899 0.721 6.105) 7.280 7.147 ( -6.093 -1.028 -4.208) 7.476 7.147 ( -6.093 1.028 -4.208) 7.476 7.749 ( -7.825 -1.301 5.311) 9.546 7.749 ( -7.825 1.301 5.311) 9.546 8.055 ( -4.831 -1.514 -4.341) 6.669 8.055 ( -4.831 1.514 -4.341) 6.669 ======================= Grid point 165 (88/102) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -2.601 0.000 -1.971) 3.264 0.885 ( 2.601 0.000 1.971) 3.264 1.102 ( -3.736 0.000 0.966) 3.858 1.102 ( 3.736 0.000 -0.966) 3.858 1.240 ( -3.327 0.000 -3.835) 5.077 1.240 ( 3.327 0.000 3.835) 5.077 1.622 ( -1.077 0.000 -2.815) 3.014 1.622 ( 1.077 0.000 2.815) 3.014 1.920 ( -3.763 0.000 -3.248) 4.971 1.920 ( 3.763 0.000 3.248) 4.971 2.077 ( 3.091 0.000 -3.832) 4.923 2.077 ( -3.091 0.000 3.832) 4.923 2.185 ( -9.377 0.000 1.360) 9.475 2.185 ( 9.377 0.000 -1.360) 9.475 2.276 ( -0.514 0.000 -4.441) 4.471 2.276 ( 0.514 0.000 4.441) 4.471 2.548 ( -6.443 0.000 1.665) 6.655 2.548 ( 6.443 0.000 -1.665) 6.655 2.774 ( 2.038 0.000 -4.388) 4.838 2.774 ( -2.038 0.000 4.388) 4.838 3.195 ( 1.332 0.000 -7.461) 7.579 3.195 ( -1.332 0.000 7.461) 7.579 3.684 ( -0.766 0.000 -0.341) 0.838 3.684 ( 0.766 0.000 0.341) 0.838 5.493 ( -2.566 0.000 0.085) 2.568 5.493 ( 2.566 0.000 -0.085) 2.568 5.661 ( 0.986 0.000 -0.874) 1.317 5.661 ( -0.986 0.000 0.874) 1.317 5.798 ( -2.444 0.000 -0.606) 2.518 5.798 ( 2.444 0.000 0.606) 2.518 5.874 ( -1.383 0.000 -0.416) 1.445 5.874 ( 1.383 0.000 0.416) 1.445 6.200 ( -0.772 0.000 -0.373) 0.857 6.200 ( 0.772 0.000 0.373) 0.857 6.508 ( -4.086 0.000 -3.237) 5.213 6.508 ( 4.086 0.000 3.237) 5.213 6.604 ( -4.423 0.000 0.567) 4.459 6.604 ( 4.423 0.000 -0.567) 4.459 6.682 ( 0.789 0.000 -3.941) 4.020 6.682 ( -0.789 0.000 3.941) 4.020 6.957 ( 4.671 0.000 -5.803) 7.449 6.957 ( -4.671 0.000 5.803) 7.449 7.068 ( 2.758 0.000 -2.041) 3.431 7.068 ( -2.758 0.000 2.041) 3.431 7.775 ( -2.910 0.000 0.508) 2.953 7.775 ( 2.910 0.000 -0.508) 2.953 7.939 ( 0.618 0.000 -2.882) 2.948 7.939 ( -0.618 0.000 2.882) 2.948 ======================= Grid point 167 (89/102) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 7.055 0.000 0.240) 7.059 1.034 ( 8.147 0.000 2.224) 8.445 1.122 ( 5.104 0.000 -2.202) 5.559 1.228 ( 5.158 0.000 -1.093) 5.273 1.242 ( 5.702 0.000 -7.210) 9.192 1.404 ( 11.145 0.000 2.332) 11.387 1.615 ( 1.235 0.000 -4.709) 4.868 1.686 ( 4.591 0.000 -0.127) 4.593 1.829 ( -3.506 0.000 -0.268) 3.517 1.976 ( 0.482 0.000 8.902) 8.915 2.008 ( -2.796 0.000 3.407) 4.408 2.063 ( -4.325 0.000 -0.595) 4.366 2.137 ( 5.913 0.000 3.049) 6.652 2.286 ( 5.793 0.000 -0.922) 5.866 2.333 ( 1.808 0.000 4.056) 4.441 2.404 ( 2.163 0.000 0.864) 2.329 2.544 ( 9.080 0.000 -2.004) 9.298 2.736 ( 11.053 0.000 -1.492) 11.154 2.788 ( 3.777 0.000 1.955) 4.252 2.824 ( 3.483 0.000 -3.892) 5.223 3.188 ( -0.568 0.000 6.285) 6.310 3.200 ( 0.976 0.000 -8.000) 8.060 3.677 ( 0.598 0.000 -0.778) 0.981 3.704 ( 1.235 0.000 -0.137) 1.242 5.427 ( -3.354 0.000 0.532) 3.396 5.503 ( -1.625 0.000 -1.163) 1.998 5.591 ( -4.961 0.000 0.718) 5.012 5.634 ( -2.604 0.000 -1.874) 3.209 5.786 ( 0.090 0.000 0.952) 0.957 5.867 ( 1.171 0.000 -1.581) 1.967 5.874 ( 3.132 0.000 1.206) 3.357 5.907 ( 1.291 0.000 -0.315) 1.329 6.144 ( -4.173 0.000 0.034) 4.173 6.201 ( -0.378 0.000 0.637) 0.740 6.439 ( -2.591 0.000 -1.477) 2.982 6.591 ( 4.090 0.000 0.894) 4.186 6.631 ( -0.222 0.000 5.745) 5.749 6.641 ( 5.881 0.000 5.556) 8.090 6.768 ( 7.244 0.000 -3.075) 7.870 6.793 ( 7.976 0.000 -3.239) 8.608 6.949 ( 3.118 0.000 1.359) 3.402 7.058 ( 4.737 0.000 -0.171) 4.740 7.076 ( 3.684 0.000 -3.218) 4.891 7.143 ( 4.259 0.000 1.083) 4.394 7.785 ( 4.628 0.000 0.240) 4.635 7.883 ( 7.504 0.000 -1.347) 7.624 7.973 ( 3.476 0.000 4.705) 5.849 7.982 ( 4.382 0.000 0.528) 4.414 ======================= Grid point 168 (90/102) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 7.139 0.000 2.378) 7.524 1.159 ( 3.659 0.000 4.393) 5.717 1.238 ( 5.365 0.000 -3.035) 6.164 1.290 ( 1.818 0.000 0.151) 1.825 1.403 ( 10.449 0.000 -7.199) 12.689 1.647 ( 10.003 0.000 0.599) 10.021 1.661 ( 3.934 0.000 -3.624) 5.349 1.767 ( 1.767 0.000 -1.612) 2.392 1.810 ( 2.831 0.000 -0.031) 2.831 1.962 ( 0.013 0.000 2.116) 2.116 2.012 ( 0.592 0.000 -0.871) 1.053 2.091 ( 3.933 0.000 4.432) 5.925 2.266 ( 4.639 0.000 4.008) 6.131 2.335 ( -1.564 0.000 2.512) 2.959 2.354 ( -1.002 0.000 2.497) 2.690 2.404 ( -0.440 0.000 0.023) 0.440 2.782 ( 12.075 0.000 -2.513) 12.334 2.904 ( 4.992 0.000 -0.463) 5.014 2.951 ( 10.504 0.000 -0.944) 10.546 2.966 ( 10.730 0.000 -0.522) 10.743 3.202 ( 1.000 0.000 -6.847) 6.920 3.212 ( 1.614 0.000 4.570) 4.846 3.714 ( 3.062 0.000 -0.514) 3.104 3.740 ( 2.291 0.000 -0.136) 2.295 5.368 ( -2.377 0.000 1.420) 2.769 5.443 ( -3.021 0.000 -2.809) 4.125 5.484 ( -5.215 0.000 1.926) 5.559 5.548 ( -4.953 0.000 -2.057) 5.363 5.793 ( 0.551 0.000 0.960) 1.107 5.901 ( 2.077 0.000 -1.971) 2.863 5.911 ( -0.120 0.000 -0.818) 0.827 5.914 ( 0.290 0.000 0.193) 0.348 6.066 ( -2.643 0.000 0.082) 2.644 6.180 ( -2.056 0.000 1.153) 2.357 6.406 ( -0.267 0.000 -2.433) 2.448 6.583 ( -4.375 0.000 5.969) 7.400 6.700 ( 5.034 0.000 -0.311) 5.043 6.808 ( 7.706 0.000 1.988) 7.958 6.929 ( 5.596 0.000 -3.525) 6.614 6.938 ( 8.402 0.000 -0.090) 8.402 7.027 ( 2.943 0.000 -2.387) 3.789 7.081 ( -2.245 0.000 0.338) 2.271 7.203 ( 6.696 0.000 3.045) 7.356 7.247 ( 4.708 0.000 3.354) 5.780 7.984 ( 13.715 0.000 -0.837) 13.741 8.060 ( 10.133 0.000 -3.793) 10.820 8.122 ( 9.626 0.000 4.398) 10.583 8.157 ( 11.296 0.000 5.489) 12.559 ======================= Grid point 169 (91/102) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 2.469 0.000 3.826) 4.553 1.235 ( 4.218 0.000 0.802) 4.294 1.312 ( 2.502 0.000 -1.775) 3.068 1.328 ( 1.508 0.000 1.957) 2.471 1.601 ( 9.090 0.000 -5.219) 10.482 1.751 ( 5.298 0.000 -2.436) 5.831 1.766 ( 0.964 0.000 -0.694) 1.188 1.811 ( 3.977 0.000 1.117) 4.131 1.868 ( 1.578 0.000 -1.823) 2.410 1.955 ( -1.360 0.000 -0.460) 1.436 2.077 ( 4.911 0.000 -0.630) 4.951 2.150 ( 1.240 0.000 2.772) 3.037 2.271 ( -4.082 0.000 0.637) 4.131 2.297 ( -4.562 0.000 1.416) 4.777 2.338 ( 1.808 0.000 3.094) 3.583 2.392 ( -0.674 0.000 -0.998) 1.204 2.987 ( 7.238 0.000 -1.332) 7.360 3.009 ( 4.092 0.000 1.935) 4.526 3.150 ( 6.565 0.000 -0.224) 6.569 3.152 ( 8.185 0.000 -3.069) 8.742 3.213 ( 1.414 0.000 -3.684) 3.946 3.260 ( 1.398 0.000 3.335) 3.616 3.785 ( 3.190 0.000 0.106) 3.192 3.793 ( 2.565 0.000 -0.173) 2.571 5.341 ( -0.482 0.000 2.061) 2.117 5.386 ( -1.412 0.000 -4.105) 4.341 5.401 ( -3.105 0.000 3.116) 4.399 5.440 ( -4.512 0.000 -1.927) 4.906 5.817 ( 1.465 0.000 0.933) 1.737 5.895 ( -1.313 0.000 -1.277) 1.832 5.910 ( -0.093 0.000 0.345) 0.357 5.928 ( 0.681 0.000 -1.466) 1.616 6.048 ( 0.686 0.000 -0.419) 0.804 6.127 ( -2.929 0.000 1.000) 3.095 6.409 ( 1.181 0.000 -3.562) 3.752 6.503 ( -4.246 0.000 5.217) 6.726 6.785 ( 3.498 0.000 -0.385) 3.519 6.912 ( 0.799 0.000 -1.903) 2.064 6.995 ( 0.152 0.000 -2.841) 2.845 7.029 ( -0.140 0.000 -0.597) 0.614 7.054 ( 2.753 0.000 3.545) 4.489 7.090 ( 3.997 0.000 -0.592) 4.041 7.309 ( 2.529 0.000 5.121) 5.712 7.324 ( 2.114 0.000 0.417) 2.155 8.264 ( 11.039 0.000 0.075) 11.040 8.270 ( 9.382 0.000 -1.576) 9.513 8.347 ( 10.003 0.000 1.676) 10.142 8.396 ( 8.766 0.000 3.717) 9.521 ======================= Grid point 170 (92/102) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.305 0.000 -2.182) 2.203 1.271 ( 0.305 0.000 2.182) 2.203 1.343 ( 0.672 0.000 -1.160) 1.341 1.343 ( -0.672 0.000 1.160) 1.341 1.731 ( 4.128 0.000 -1.421) 4.366 1.731 ( -4.128 0.000 1.421) 4.366 1.846 ( 3.491 0.000 -1.956) 4.002 1.846 ( -3.491 0.000 1.956) 4.002 1.901 ( -3.667 0.000 -0.116) 3.669 1.901 ( 3.667 0.000 0.116) 3.669 2.170 ( -1.449 0.000 -2.167) 2.607 2.170 ( 1.449 0.000 2.167) 2.607 2.210 ( 1.464 0.000 -5.034) 5.242 2.210 ( -1.464 0.000 5.034) 5.242 2.371 ( -0.986 0.000 -2.125) 2.343 2.371 ( 0.986 0.000 2.125) 2.343 3.057 ( 0.182 0.000 -1.349) 1.361 3.057 ( -0.182 0.000 1.349) 1.361 3.224 ( -0.426 0.000 -1.513) 1.571 3.224 ( 0.426 0.000 1.513) 1.571 3.259 ( 2.532 0.000 -2.840) 3.805 3.259 ( -2.532 0.000 2.840) 3.805 3.823 ( -0.088 0.000 -0.381) 0.391 3.823 ( 0.088 0.000 0.381) 0.391 5.359 ( -1.270 0.000 -3.326) 3.560 5.359 ( 1.270 0.000 3.326) 3.560 5.374 ( -0.148 0.000 -2.872) 2.876 5.374 ( 0.148 0.000 2.872) 2.876 5.855 ( -1.944 0.000 -0.977) 2.176 5.855 ( 1.944 0.000 0.977) 2.176 5.922 ( -0.768 0.000 -0.676) 1.023 5.922 ( 0.768 0.000 0.676) 1.023 6.076 ( 2.041 0.000 -0.778) 2.184 6.076 ( -2.041 0.000 0.778) 2.184 6.440 ( 2.824 0.000 -4.428) 5.252 6.440 ( -2.824 0.000 4.428) 5.252 6.858 ( -3.648 0.000 -0.537) 3.687 6.858 ( 3.648 0.000 0.537) 3.687 7.009 ( -1.271 0.000 0.237) 1.293 7.009 ( 1.271 0.000 -0.237) 1.293 7.119 ( -1.267 0.000 -0.610) 1.406 7.119 ( 1.267 0.000 0.610) 1.406 7.342 ( 0.095 0.000 -3.308) 3.309 7.342 ( -0.095 0.000 3.308) 3.309 8.379 ( 0.324 0.000 -0.688) 0.761 8.379 ( -0.324 0.000 0.688) 0.761 8.482 ( 1.633 0.000 -0.994) 1.912 8.482 ( -1.633 0.000 0.994) 1.912 ======================= Grid point 175 (93/102) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -2.922 3.974 -3.582) 6.096 0.940 ( 2.922 3.974 3.582) 6.096 1.107 ( -2.576 -1.840 -3.193) 4.496 1.107 ( 2.576 -1.840 3.193) 4.496 1.305 ( -1.298 7.375 -5.825) 9.487 1.305 ( 1.298 7.375 5.825) 9.487 1.601 ( -0.550 -2.495 -2.981) 3.926 1.601 ( 0.550 -2.495 2.981) 3.926 1.948 ( -4.228 3.389 -3.338) 6.365 1.948 ( 4.228 3.389 3.338) 6.365 2.091 ( 3.504 1.364 -2.925) 4.764 2.091 ( -3.504 1.364 2.925) 4.764 2.161 ( -9.592 -2.257 0.552) 9.869 2.161 ( 9.592 -2.257 -0.552) 9.869 2.230 ( -2.084 -4.087 -3.765) 5.934 2.230 ( 2.084 -4.087 3.765) 5.934 2.582 ( 4.572 2.797 -2.607) 5.960 2.582 ( -4.572 2.797 2.607) 5.960 2.739 ( 2.995 -2.910 -4.734) 6.312 2.739 ( -2.995 -2.910 4.734) 6.312 3.258 ( 0.795 5.680 -6.238) 8.474 3.258 ( -0.795 5.680 6.238) 8.474 3.614 ( -0.156 -6.236 -2.256) 6.633 3.614 ( 0.156 -6.236 2.256) 6.633 5.516 ( -2.489 2.164 0.005) 3.298 5.516 ( 2.489 2.164 -0.005) 3.298 5.635 ( -0.041 -2.350 -0.342) 2.375 5.635 ( 0.041 -2.350 0.342) 2.375 5.795 ( -1.323 -0.250 -0.566) 1.461 5.795 ( 1.323 -0.250 0.566) 1.461 5.889 ( -0.576 1.113 -0.513) 1.354 5.889 ( 0.576 1.113 0.513) 1.354 6.261 ( -1.048 5.206 -2.434) 5.842 6.261 ( 1.048 5.206 2.434) 5.842 6.502 ( -4.422 -0.924 -2.962) 5.401 6.502 ( 4.422 -0.924 2.962) 5.401 6.601 ( 0.307 -0.177 -1.310) 1.357 6.601 ( -0.307 -0.177 1.310) 1.357 6.664 ( 0.479 -1.537 -3.160) 3.547 6.664 ( -0.479 -1.537 3.160) 3.547 6.952 ( 3.900 -0.258 -4.710) 6.121 6.952 ( -3.900 -0.258 4.710) 6.121 7.049 ( 1.567 -1.558 -2.283) 3.178 7.049 ( -1.567 -1.558 2.283) 3.178 7.758 ( -0.750 -1.221 -0.701) 1.595 7.758 ( 0.750 -1.221 0.701) 1.595 7.946 ( 0.125 0.492 -2.168) 2.227 7.946 ( -0.125 0.492 2.168) 2.227 ======================= Grid point 177 (94/102) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 5.211 2.265 -1.788) 5.956 1.094 ( 7.529 2.809 2.002) 8.281 1.119 ( 3.934 -1.681 -3.720) 5.669 1.200 ( 4.768 -1.760 -0.029) 5.082 1.343 ( 5.940 8.720 -4.923) 11.643 1.434 ( 8.648 3.095 1.369) 9.287 1.622 ( 3.341 -0.022 -3.276) 4.679 1.668 ( 5.283 -2.178 0.864) 5.779 1.845 ( -3.427 2.272 -1.170) 4.275 1.960 ( -3.073 -2.968 1.237) 4.448 2.003 ( -1.890 2.162 7.350) 7.891 2.088 ( -2.131 0.963 2.171) 3.191 2.144 ( 5.422 1.489 3.723) 6.744 2.279 ( 5.105 -0.841 -0.346) 5.186 2.310 ( 4.009 -1.864 2.132) 4.908 2.382 ( 5.331 -2.428 0.309) 5.866 2.560 ( 5.943 2.056 0.205) 6.292 2.724 ( 5.069 -3.504 1.259) 6.289 2.762 ( 8.068 0.341 -0.868) 8.122 2.813 ( 4.916 -1.008 -4.270) 6.589 3.251 ( 0.159 5.696 -1.623) 5.925 3.272 ( 0.981 6.457 -0.163) 6.533 3.603 ( 0.320 -6.645 -1.438) 6.807 3.634 ( 1.046 -6.443 0.416) 6.541 5.448 ( -3.501 2.013 0.627) 4.087 5.528 ( -1.741 2.091 -1.174) 2.963 5.566 ( -4.364 -2.222 0.764) 4.956 5.623 ( -2.287 -1.161 -1.711) 3.083 5.798 ( 0.782 0.830 -0.053) 1.141 5.849 ( 2.608 -1.611 -0.243) 3.075 5.883 ( 0.888 1.034 0.361) 1.410 5.908 ( 0.581 0.081 -0.143) 0.604 6.184 ( -4.258 3.796 -0.589) 5.735 6.275 ( -0.690 5.125 1.106) 5.288 6.422 ( -2.967 -0.652 -0.995) 3.197 6.594 ( 0.328 -1.438 2.914) 3.266 6.632 ( 1.960 1.248 3.469) 4.176 6.651 ( 7.398 0.957 4.235) 8.578 6.733 ( 8.198 -2.702 -2.463) 8.976 6.773 ( 7.170 -2.249 -2.032) 7.784 6.960 ( 3.625 1.232 0.338) 3.843 7.050 ( 2.669 -1.961 1.735) 3.739 7.062 ( 5.967 0.244 -4.481) 7.466 7.122 ( 4.409 -1.834 0.790) 4.840 7.785 ( 5.125 0.201 0.585) 5.162 7.849 ( 6.946 -2.568 0.611) 7.430 7.978 ( 3.662 0.585 0.197) 3.714 7.993 ( 4.341 0.415 2.746) 5.153 ======================= Grid point 178 (95/102) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 5.354 -0.101 1.378) 5.530 1.193 ( 3.296 -3.802 -1.593) 5.277 1.212 ( 4.146 2.651 2.478) 5.510 1.291 ( 3.839 -0.350 -0.540) 3.893 1.484 ( 8.242 6.129 -5.240) 11.531 1.594 ( 6.364 -1.209 -2.831) 7.069 1.727 ( 5.356 1.796 -0.750) 5.699 1.785 ( 4.681 -0.654 -1.969) 5.120 1.816 ( 1.331 2.612 0.832) 3.047 1.936 ( 1.340 -2.491 -1.354) 3.136 2.023 ( 1.615 2.817 3.490) 4.767 2.119 ( 2.786 1.453 3.530) 4.726 2.253 ( 3.220 -0.755 4.178) 5.328 2.319 ( -0.563 -2.362 1.414) 2.810 2.357 ( -0.760 1.166 2.597) 2.947 2.406 ( -0.347 -0.105 0.095) 0.375 2.782 ( 12.245 0.428 -1.607) 12.358 2.884 ( 9.303 -3.205 0.449) 9.850 2.925 ( 7.220 0.212 -1.894) 7.467 2.966 ( 10.029 -0.805 -0.363) 10.068 3.260 ( 1.393 6.437 -4.801) 8.151 3.306 ( 2.080 7.387 2.341) 8.024 3.633 ( 2.912 -7.419 -1.616) 8.133 3.667 ( 2.140 -6.733 0.748) 7.105 5.385 ( -2.656 1.602 1.541) 3.464 5.459 ( -3.593 0.756 -1.753) 4.068 5.473 ( -4.513 -0.343 0.993) 4.633 5.539 ( -4.903 -0.946 -2.130) 5.429 5.811 ( 0.661 1.504 0.041) 1.643 5.885 ( 1.173 -1.492 -1.527) 2.436 5.915 ( 0.664 0.237 -0.192) 0.731 5.917 ( 1.414 0.159 0.206) 1.438 6.109 ( -2.372 4.391 -1.148) 5.121 6.242 ( -2.813 4.497 1.612) 5.544 6.377 ( -1.056 -2.077 -1.786) 2.936 6.540 ( -4.498 -3.977 4.623) 7.577 6.732 ( 4.810 2.870 0.262) 5.607 6.827 ( 7.822 1.811 1.421) 8.154 6.901 ( 5.099 -3.146 -1.109) 6.093 6.917 ( 8.310 -1.764 -0.869) 8.539 7.033 ( 2.852 0.908 -3.106) 4.314 7.075 ( -1.087 -0.595 -0.351) 1.288 7.198 ( 6.368 -0.242 3.624) 7.331 7.232 ( 5.076 -1.302 3.508) 6.306 7.988 ( 13.579 0.495 -0.431) 13.595 8.046 ( 11.544 -1.536 -1.372) 11.726 8.117 ( 9.512 0.295 2.823) 9.926 8.156 ( 10.254 -0.475 4.228) 11.102 ======================= Grid point 179 (96/102) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 3.776 -1.351 2.620) 4.791 1.242 ( 1.563 -2.948 -0.935) 3.466 1.300 ( 3.610 1.790 2.544) 4.765 1.352 ( 1.925 0.375 -0.035) 1.962 1.630 ( 6.380 2.077 -3.904) 7.763 1.718 ( 6.744 -1.474 -3.101) 7.568 1.772 ( -0.057 0.237 -1.199) 1.224 1.833 ( 1.518 -1.767 -4.682) 5.229 1.880 ( 2.244 2.878 3.397) 4.986 1.972 ( 0.074 1.233 -0.218) 1.255 2.082 ( 3.658 1.670 1.415) 4.263 2.173 ( 1.882 1.404 1.675) 2.884 2.267 ( -3.127 -1.082 0.340) 3.327 2.282 ( -1.971 -0.916 2.130) 3.043 2.345 ( 0.079 1.011 2.072) 2.306 2.390 ( -1.013 -0.297 -0.856) 1.359 2.993 ( 7.617 1.020 -0.796) 7.726 3.034 ( 5.010 1.667 1.096) 5.393 3.091 ( 7.258 -2.539 -2.012) 7.948 3.139 ( 5.559 -2.713 0.882) 6.248 3.289 ( 2.815 7.728 -4.298) 9.280 3.352 ( 1.106 6.961 2.541) 7.492 3.702 ( 3.539 -7.501 -1.450) 8.419 3.721 ( 2.372 -6.749 1.119) 7.240 5.351 ( -0.854 0.972 2.242) 2.589 5.394 ( -2.104 0.081 -0.888) 2.285 5.399 ( -2.552 0.304 0.075) 2.571 5.435 ( -4.189 -0.523 -2.163) 4.743 5.831 ( 1.281 1.271 0.231) 1.819 5.887 ( -0.620 -0.996 -0.866) 1.458 5.927 ( 0.790 1.406 -0.347) 1.650 5.943 ( 0.772 0.649 -0.405) 1.087 6.086 ( 0.465 4.273 -1.734) 4.635 6.176 ( -3.641 4.317 1.938) 5.970 6.369 ( 0.841 -3.549 -3.162) 4.827 6.458 ( -4.142 -4.197 4.481) 7.406 6.811 ( 3.134 2.474 -0.108) 3.994 6.923 ( 0.740 0.672 -1.849) 2.102 6.971 ( 0.830 -2.432 -1.944) 3.223 6.997 ( -0.088 -1.912 -0.201) 1.925 7.070 ( 2.512 0.973 1.674) 3.171 7.094 ( 3.495 0.120 -0.256) 3.507 7.303 ( 2.661 -0.373 4.722) 5.433 7.316 ( 2.302 -0.673 1.167) 2.668 8.265 ( 10.924 0.234 -0.031) 10.926 8.277 ( 9.731 0.324 -1.128) 9.802 8.341 ( 9.870 -0.284 1.882) 10.052 8.381 ( 8.743 -1.332 3.121) 9.378 ======================= Grid point 180 (97/102) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -1.190 -1.800 -2.048) 2.975 1.242 ( 1.190 -1.800 2.048) 2.975 1.359 ( -1.194 0.876 -1.348) 2.002 1.359 ( 1.194 0.876 1.348) 2.002 1.729 ( -2.142 0.313 -0.567) 2.238 1.729 ( 2.142 0.313 0.567) 2.238 1.825 ( -2.455 -2.730 -1.679) 4.037 1.825 ( 2.455 -2.730 1.679) 4.037 1.929 ( -1.416 2.807 -2.434) 3.976 1.929 ( 1.416 2.807 2.434) 3.976 2.166 ( -3.242 -0.244 -1.621) 3.633 2.166 ( 3.242 -0.244 1.621) 3.633 2.239 ( 0.271 2.121 -4.392) 4.885 2.239 ( -0.271 2.121 4.392) 4.885 2.364 ( -0.508 -0.565 -3.164) 3.254 2.364 ( 0.508 -0.565 3.164) 3.254 3.080 ( 0.328 1.983 -1.431) 2.467 3.080 ( -0.328 1.983 1.431) 2.467 3.180 ( 1.482 -2.438 -1.204) 3.096 3.180 ( -1.482 -2.438 1.204) 3.096 3.346 ( 2.153 6.629 -2.904) 7.550 3.346 ( -2.153 6.629 2.904) 7.550 3.746 ( 0.508 -6.959 -1.596) 7.157 3.746 ( -0.508 -6.959 1.596) 7.157 5.363 ( -1.095 0.340 -3.324) 3.516 5.363 ( 1.095 0.340 3.324) 3.516 5.375 ( -0.135 0.002 -3.068) 3.071 5.375 ( 0.135 0.002 3.068) 3.071 5.862 ( -1.450 0.429 -0.541) 1.606 5.862 ( 1.450 0.429 0.541) 1.606 5.943 ( -0.380 1.323 -0.327) 1.415 5.943 ( 0.380 1.323 0.327) 1.415 6.114 ( 1.656 4.000 -2.471) 4.985 6.114 ( -1.656 4.000 2.471) 4.985 6.397 ( 2.447 -4.052 -4.333) 6.418 6.397 ( -2.447 -4.052 4.333) 6.418 6.876 ( -3.205 1.710 -0.649) 3.690 6.876 ( 3.205 1.710 0.649) 3.690 6.983 ( -0.335 -2.289 -0.368) 2.342 6.983 ( 0.335 -2.289 0.368) 2.342 7.123 ( -0.799 0.318 -0.535) 1.013 7.123 ( 0.799 0.318 0.535) 1.013 7.337 ( 0.014 -0.351 -2.427) 2.452 7.337 ( -0.014 -0.351 2.427) 2.452 8.384 ( 0.071 0.425 -0.492) 0.654 8.384 ( -0.071 0.425 0.492) 0.654 8.470 ( 1.133 -0.926 -0.671) 1.610 8.470 ( -1.133 -0.926 0.671) 1.610 ======================= Grid point 185 (98/102) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.000 -0.000 -0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.054 ( 0.000 0.000 0.000) 0.000 1.054 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 -0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 2.032 ( -0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.106 ( -0.000 0.000 0.000) 0.000 2.106 ( -0.000 0.000 0.000) 0.000 2.126 ( -0.000 -0.000 0.000) 0.000 2.126 ( -0.000 0.000 0.000) 0.000 2.151 ( 0.000 -0.000 -0.000) 0.000 2.151 ( 0.000 0.000 -0.000) 0.000 2.631 ( 0.000 0.000 -0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.688 ( -0.000 -0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 -0.000 -0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 -0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 5.574 ( -0.000 -0.000 -0.000) 0.000 5.574 ( -0.000 0.000 0.000) 0.000 5.575 ( 0.000 -0.000 0.000) 0.000 5.575 ( 0.000 0.000 -0.000) 0.000 5.791 ( -0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.903 ( -0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 6.347 ( -0.000 0.000 0.000) 0.000 6.347 ( -0.000 0.000 0.000) 0.000 6.473 ( 0.000 -0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 -0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 -0.000 -0.000) 0.000 6.639 ( -0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 -0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 -0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 189 (99/102) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 3.765 -4.185 -2.706) 6.246 1.035 ( 3.765 4.185 -2.706) 6.246 1.158 ( 6.206 -2.535 -0.018) 6.704 1.158 ( 6.206 2.535 -0.018) 6.704 1.480 ( 4.250 -1.706 -2.564) 5.249 1.480 ( 4.250 1.706 -2.564) 5.249 1.616 ( 6.568 -1.242 0.923) 6.747 1.616 ( 6.568 1.242 0.923) 6.747 1.903 ( -4.435 -2.627 -0.620) 5.192 1.903 ( -4.435 2.627 -0.620) 5.192 2.065 ( -0.997 -3.155 5.235) 6.193 2.065 ( -0.997 3.155 5.235) 6.193 2.215 ( 3.531 -4.471 2.566) 6.249 2.215 ( 3.531 4.471 2.566) 6.249 2.319 ( 8.133 -2.631 -0.678) 8.574 2.319 ( 8.133 2.631 -0.678) 8.574 2.631 ( 3.437 -4.501 2.416) 6.157 2.631 ( 3.437 4.501 2.416) 6.157 2.786 ( 7.273 -1.442 -3.623) 8.253 2.786 ( 7.273 1.442 -3.623) 8.253 3.385 ( 1.844 -2.986 -1.387) 3.773 3.385 ( 1.844 2.986 -1.387) 3.773 3.488 ( -0.473 -3.160 -0.027) 3.195 3.488 ( -0.473 3.160 -0.027) 3.195 5.504 ( -3.904 -3.136 0.700) 5.056 5.504 ( -3.904 3.136 0.700) 5.056 5.583 ( -1.768 -2.575 -1.291) 3.380 5.583 ( -1.768 2.575 -1.291) 3.380 5.818 ( 1.978 -1.230 -0.592) 2.403 5.818 ( 1.978 1.230 -0.592) 2.403 5.903 ( 0.110 -0.670 0.299) 0.742 5.903 ( 0.110 0.670 0.299) 0.742 6.278 ( -3.573 -4.229 -0.199) 5.540 6.278 ( -3.573 4.229 -0.199) 5.540 6.500 ( -1.916 -6.643 1.399) 7.053 6.500 ( -1.916 6.643 1.399) 7.053 6.669 ( 7.185 -0.707 2.732) 7.719 6.669 ( 7.185 0.707 2.732) 7.719 6.711 ( 6.474 -2.505 -0.759) 6.983 6.711 ( 6.474 2.505 -0.759) 6.983 7.000 ( 3.966 -2.435 -0.779) 4.718 7.000 ( 3.966 2.435 -0.779) 4.718 7.082 ( 4.843 -1.651 -0.355) 5.129 7.082 ( 4.843 1.651 -0.355) 5.129 7.803 ( 6.087 -1.632 1.083) 6.394 7.803 ( 6.087 1.632 1.083) 6.394 7.991 ( 3.990 -0.521 0.992) 4.144 7.991 ( 3.990 0.521 0.992) 4.144 ======================= Grid point 191 (100/102) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 3.748 -3.089 0.095) 4.858 1.114 ( 3.748 3.089 0.095) 4.858 1.262 ( 4.223 -2.201 0.017) 4.763 1.262 ( 4.223 2.201 0.017) 4.763 1.575 ( 5.343 -2.011 -3.907) 6.918 1.575 ( 5.343 2.011 -3.907) 6.918 1.754 ( 4.673 -1.486 -1.163) 5.040 1.754 ( 4.673 1.486 -1.163) 5.040 1.878 ( 2.276 -3.121 0.286) 3.873 1.878 ( 2.276 3.121 0.286) 3.873 2.107 ( 2.827 -3.328 3.462) 5.572 2.107 ( 2.827 3.328 3.462) 5.572 2.262 ( 0.247 -2.133 2.945) 3.645 2.262 ( 0.247 2.133 2.945) 3.645 2.389 ( 0.124 -1.501 0.563) 1.608 2.389 ( 0.124 1.501 0.563) 1.608 2.815 ( 11.656 -2.806 -0.154) 11.990 2.815 ( 11.656 2.806 -0.154) 11.990 2.942 ( 8.022 -1.197 -1.231) 8.204 2.942 ( 8.022 1.197 -1.231) 8.204 3.439 ( 3.295 -9.460 -3.437) 10.590 3.439 ( 3.295 9.460 -3.437) 10.590 3.490 ( 1.217 -8.935 1.829) 9.201 3.490 ( 1.217 8.935 1.829) 9.201 5.428 ( -3.481 -2.294 1.644) 4.482 5.428 ( -3.481 2.294 1.644) 4.482 5.508 ( -4.390 -2.027 -2.242) 5.329 5.508 ( -4.390 2.027 -2.242) 5.329 5.847 ( 1.010 -1.939 -1.115) 2.454 5.847 ( 1.010 1.939 -1.115) 2.454 5.918 ( 1.257 -0.041 0.291) 1.291 5.918 ( 1.257 0.041 0.291) 1.291 6.225 ( -1.493 -5.599 -1.413) 5.964 6.225 ( -1.493 5.599 -1.413) 5.964 6.429 ( -4.449 -6.149 2.673) 8.047 6.429 ( -4.449 6.149 2.673) 8.047 6.812 ( 4.909 -4.633 0.436) 6.764 6.812 ( 4.909 4.633 0.436) 6.764 6.874 ( 7.959 -2.398 -0.295) 8.318 6.874 ( 7.959 2.398 -0.295) 8.318 7.057 ( 1.331 -1.131 -2.058) 2.699 7.057 ( 1.331 1.131 -2.058) 2.699 7.204 ( 5.744 -0.989 3.923) 7.026 7.204 ( 5.744 0.989 3.923) 7.026 8.009 ( 13.035 -1.622 0.135) 13.136 8.009 ( 13.035 1.622 0.135) 13.136 8.136 ( 9.467 -1.209 2.486) 9.862 8.136 ( 9.467 1.209 2.486) 9.862 ======================= Grid point 193 (101/102) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 2.851 -1.677 1.190) 3.515 1.187 ( 2.851 1.677 1.190) 3.515 1.338 ( 2.726 -1.554 0.753) 3.227 1.338 ( 2.726 1.554 0.753) 3.227 1.676 ( 5.061 -2.438 -2.894) 6.319 1.676 ( 5.061 2.438 -2.894) 6.319 1.790 ( 0.486 -1.685 -3.743) 4.134 1.790 ( 0.486 1.685 -3.743) 4.134 1.949 ( 2.212 -3.093 2.040) 4.315 1.949 ( 2.212 3.093 2.040) 4.315 2.155 ( 0.894 -3.681 1.102) 3.945 2.155 ( 0.894 3.681 1.102) 3.945 2.259 ( -0.174 -1.096 2.297) 2.551 2.259 ( -0.174 1.096 2.297) 2.551 2.374 ( -1.221 -1.331 -0.284) 1.828 2.374 ( -1.221 1.331 -0.284) 1.828 3.029 ( 8.124 -2.149 -1.159) 8.483 3.029 ( 8.124 2.149 -1.159) 8.483 3.087 ( 5.146 -2.172 0.702) 5.629 3.087 ( 5.146 2.172 0.702) 5.629 3.470 ( 0.754 -5.233 -1.319) 5.449 3.470 ( 0.754 5.233 -1.319) 5.449 3.561 ( 3.974 -3.996 0.420) 5.651 3.561 ( 3.974 3.996 0.420) 5.651 5.377 ( -1.759 -1.265 2.506) 3.313 5.377 ( -1.759 1.265 2.506) 3.313 5.419 ( -3.176 -1.010 -2.824) 4.368 5.419 ( -3.176 1.010 -2.824) 4.368 5.861 ( 0.592 -1.467 -0.723) 1.739 5.861 ( 0.592 1.467 -0.723) 1.739 5.945 ( 1.057 -0.383 0.004) 1.124 5.945 ( 1.057 0.383 0.004) 1.124 6.203 ( -0.328 -4.938 -1.762) 5.253 6.203 ( -0.328 4.938 -1.762) 5.253 6.351 ( -3.323 -4.729 2.271) 6.209 6.351 ( -3.323 4.729 2.271) 6.209 6.881 ( 2.217 -3.912 -0.084) 4.497 6.881 ( 2.217 3.912 -0.084) 4.497 6.963 ( 0.079 -1.449 -1.919) 2.406 6.963 ( 0.079 1.449 -1.919) 2.406 7.088 ( 2.797 -0.666 0.733) 2.967 7.088 ( 2.797 0.666 0.733) 2.967 7.303 ( 2.669 -0.415 3.065) 4.085 7.303 ( 2.669 0.415 3.065) 4.085 8.274 ( 10.626 -0.536 -0.267) 10.643 8.274 ( 10.626 0.536 -0.267) 10.643 8.351 ( 9.046 -1.252 2.165) 9.385 8.351 ( 9.046 1.252 2.165) 9.385 ======================= Grid point 195 (102/102) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.000 0.000 0.000) 0.000 1.221 ( -0.000 0.000 0.000) 0.000 1.368 ( -0.000 0.000 0.000) 0.000 1.368 ( -0.000 0.000 0.000) 0.000 1.746 ( 0.000 -0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.776 ( -0.000 -0.000 -0.000) 0.000 1.776 ( -0.000 0.000 0.000) 0.000 1.967 ( -0.000 0.000 -0.000) 0.000 1.967 ( -0.000 0.000 0.000) 0.000 2.161 ( -0.000 -0.000 0.000) 0.000 2.161 ( -0.000 0.000 0.000) 0.000 2.269 ( -0.000 0.000 0.000) 0.000 2.269 ( -0.000 -0.000 0.000) 0.000 2.355 ( -0.000 0.000 0.000) 0.000 2.355 ( -0.000 0.000 0.000) 0.000 3.119 ( 0.000 -0.000 -0.000) 0.000 3.119 ( -0.000 0.000 0.000) 0.000 3.138 ( -0.000 0.000 0.000) 0.000 3.138 ( -0.000 0.000 0.000) 0.000 3.476 ( -0.000 -0.000 -0.000) 0.000 3.476 ( -0.000 0.000 0.000) 0.000 3.609 ( -0.000 -0.000 0.000) 0.000 3.609 ( -0.000 0.000 0.000) 0.000 5.370 ( -0.000 0.000 -0.000) 0.000 5.370 ( -0.000 0.000 0.000) 0.000 5.372 ( -0.000 0.000 -0.000) 0.000 5.372 ( 0.000 -0.000 0.000) 0.000 5.867 ( -0.000 0.000 0.000) 0.000 5.867 ( -0.000 0.000 0.000) 0.000 5.957 ( -0.000 -0.000 0.000) 0.000 5.957 ( -0.000 0.000 0.000) 0.000 6.199 ( -0.000 -0.000 -0.000) 0.000 6.199 ( -0.000 0.000 0.000) 0.000 6.316 ( -0.000 -0.000 0.000) 0.000 6.316 ( -0.000 0.000 0.000) 0.000 6.915 ( -0.000 0.000 -0.000) 0.000 6.915 ( -0.000 -0.000 0.000) 0.000 6.936 ( -0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.127 ( -0.000 0.000 0.000) 0.000 7.127 ( -0.000 0.000 0.000) 0.000 7.333 ( -0.000 0.000 0.000) 0.000 7.333 ( -0.000 0.000 0.000) 0.000 8.391 ( -0.000 0.000 0.000) 0.000 8.391 ( -0.000 0.000 0.000) 0.000 8.457 ( -0.000 -0.000 0.000) 0.000 8.457 ( -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 3/12288 10.0 51.339 42.320 40.901 0.000 -7.532 0.000 3/12288 20.0 21.140 11.226 15.954 0.000 -3.075 0.000 3/12288 30.0 13.725 6.407 10.205 0.000 -1.933 0.000 3/12288 40.0 10.223 4.624 7.684 0.000 -1.429 0.000 3/12288 50.0 8.095 3.649 6.166 0.000 -1.125 0.000 3/12288 60.0 6.653 3.010 5.123 0.000 -0.917 0.000 3/12288 70.0 5.625 2.557 4.366 0.000 -0.768 0.000 3/12288 80.0 4.865 2.220 3.797 0.000 -0.658 0.000 3/12288 90.0 4.286 1.961 3.357 0.000 -0.574 0.000 3/12288 100.0 3.831 1.755 3.008 0.000 -0.509 0.000 3/12288 110.0 3.466 1.589 2.724 0.000 -0.457 0.000 3/12288 120.0 3.167 1.452 2.490 0.000 -0.414 0.000 3/12288 130.0 2.916 1.336 2.293 0.000 -0.379 0.000 3/12288 140.0 2.703 1.238 2.126 0.000 -0.350 0.000 3/12288 150.0 2.520 1.154 1.982 0.000 -0.325 0.000 3/12288 160.0 2.361 1.080 1.856 0.000 -0.303 0.000 3/12288 170.0 2.222 1.015 1.745 0.000 -0.284 0.000 3/12288 180.0 2.098 0.958 1.647 0.000 -0.267 0.000 3/12288 190.0 1.987 0.907 1.560 0.000 -0.252 0.000 3/12288 200.0 1.888 0.861 1.481 0.000 -0.239 0.000 3/12288 210.0 1.798 0.820 1.410 0.000 -0.227 0.000 3/12288 220.0 1.717 0.782 1.346 0.000 -0.216 0.000 3/12288 230.0 1.642 0.748 1.287 0.000 -0.207 0.000 3/12288 240.0 1.574 0.717 1.233 0.000 -0.198 0.000 3/12288 250.0 1.512 0.688 1.184 0.000 -0.190 0.000 3/12288 260.0 1.454 0.661 1.138 0.000 -0.182 0.000 3/12288 270.0 1.400 0.637 1.096 0.000 -0.175 0.000 3/12288 280.0 1.351 0.614 1.057 0.000 -0.169 0.000 3/12288 290.0 1.304 0.592 1.020 0.000 -0.163 0.000 3/12288 300.0 1.261 0.573 0.986 0.000 -0.157 0.000 3/12288 310.0 1.221 0.554 0.955 0.000 -0.152 0.000 3/12288 320.0 1.183 0.537 0.925 0.000 -0.147 0.000 3/12288 330.0 1.147 0.521 0.897 0.000 -0.143 0.000 3/12288 340.0 1.114 0.505 0.871 0.000 -0.138 0.000 3/12288 350.0 1.082 0.491 0.846 0.000 -0.134 0.000 3/12288 360.0 1.052 0.477 0.822 0.000 -0.131 0.000 3/12288 370.0 1.024 0.464 0.800 0.000 -0.127 0.000 3/12288 380.0 0.997 0.452 0.779 0.000 -0.124 0.000 3/12288 390.0 0.972 0.440 0.759 0.000 -0.120 0.000 3/12288 400.0 0.948 0.429 0.740 0.000 -0.117 0.000 3/12288 410.0 0.925 0.419 0.722 0.000 -0.115 0.000 3/12288 420.0 0.903 0.409 0.705 0.000 -0.112 0.000 3/12288 430.0 0.882 0.399 0.689 0.000 -0.109 0.000 3/12288 440.0 0.862 0.390 0.673 0.000 -0.107 0.000 3/12288 450.0 0.843 0.382 0.658 0.000 -0.104 0.000 3/12288 460.0 0.825 0.373 0.644 0.000 -0.102 0.000 3/12288 470.0 0.807 0.365 0.630 0.000 -0.100 0.000 3/12288 480.0 0.791 0.358 0.617 0.000 -0.098 0.000 3/12288 490.0 0.775 0.351 0.605 0.000 -0.096 0.000 3/12288 500.0 0.759 0.344 0.593 0.000 -0.094 0.000 3/12288 510.0 0.744 0.337 0.581 0.000 -0.092 0.000 3/12288 520.0 0.730 0.330 0.570 0.000 -0.090 0.000 3/12288 530.0 0.717 0.324 0.559 0.000 -0.088 0.000 3/12288 540.0 0.703 0.318 0.549 0.000 -0.087 0.000 3/12288 550.0 0.691 0.312 0.539 0.000 -0.085 0.000 3/12288 560.0 0.678 0.307 0.529 0.000 -0.084 0.000 3/12288 570.0 0.667 0.301 0.520 0.000 -0.082 0.000 3/12288 580.0 0.655 0.296 0.511 0.000 -0.081 0.000 3/12288 590.0 0.644 0.291 0.502 0.000 -0.079 0.000 3/12288 600.0 0.633 0.286 0.494 0.000 -0.078 0.000 3/12288 610.0 0.623 0.282 0.486 0.000 -0.077 0.000 3/12288 620.0 0.613 0.277 0.478 0.000 -0.076 0.000 3/12288 630.0 0.603 0.273 0.471 0.000 -0.074 0.000 3/12288 640.0 0.594 0.269 0.463 0.000 -0.073 0.000 3/12288 650.0 0.585 0.264 0.456 0.000 -0.072 0.000 3/12288 660.0 0.576 0.260 0.449 0.000 -0.071 0.000 3/12288 670.0 0.567 0.257 0.443 0.000 -0.070 0.000 3/12288 680.0 0.559 0.253 0.436 0.000 -0.069 0.000 3/12288 690.0 0.551 0.249 0.430 0.000 -0.068 0.000 3/12288 700.0 0.543 0.246 0.424 0.000 -0.067 0.000 3/12288 710.0 0.536 0.242 0.418 0.000 -0.066 0.000 3/12288 720.0 0.528 0.239 0.412 0.000 -0.065 0.000 3/12288 730.0 0.521 0.235 0.406 0.000 -0.064 0.000 3/12288 740.0 0.514 0.232 0.401 0.000 -0.063 0.000 3/12288 750.0 0.507 0.229 0.396 0.000 -0.062 0.000 3/12288 760.0 0.501 0.226 0.390 0.000 -0.062 0.000 3/12288 770.0 0.494 0.223 0.385 0.000 -0.061 0.000 3/12288 780.0 0.488 0.220 0.380 0.000 -0.060 0.000 3/12288 790.0 0.482 0.218 0.376 0.000 -0.059 0.000 3/12288 800.0 0.476 0.215 0.371 0.000 -0.059 0.000 3/12288 810.0 0.470 0.212 0.366 0.000 -0.058 0.000 3/12288 820.0 0.464 0.210 0.362 0.000 -0.057 0.000 3/12288 830.0 0.458 0.207 0.358 0.000 -0.056 0.000 3/12288 840.0 0.453 0.205 0.353 0.000 -0.056 0.000 3/12288 850.0 0.448 0.202 0.349 0.000 -0.055 0.000 3/12288 860.0 0.443 0.200 0.345 0.000 -0.054 0.000 3/12288 870.0 0.437 0.198 0.341 0.000 -0.054 0.000 3/12288 880.0 0.433 0.195 0.337 0.000 -0.053 0.000 3/12288 890.0 0.428 0.193 0.333 0.000 -0.053 0.000 3/12288 900.0 0.423 0.191 0.330 0.000 -0.052 0.000 3/12288 910.0 0.418 0.189 0.326 0.000 -0.051 0.000 3/12288 920.0 0.414 0.187 0.323 0.000 -0.051 0.000 3/12288 930.0 0.409 0.185 0.319 0.000 -0.050 0.000 3/12288 940.0 0.405 0.183 0.316 0.000 -0.050 0.000 3/12288 950.0 0.401 0.181 0.312 0.000 -0.049 0.000 3/12288 960.0 0.397 0.179 0.309 0.000 -0.049 0.000 3/12288 970.0 0.393 0.177 0.306 0.000 -0.048 0.000 3/12288 980.0 0.389 0.175 0.303 0.000 -0.048 0.000 3/12288 990.0 0.385 0.174 0.300 0.000 -0.047 0.000 3/12288 1000.0 0.381 0.172 0.297 0.000 -0.047 0.000 3/12288 Thermal conductivity related properties were written into "kappa-m848.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:02:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|