----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:30:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.735390536822617 0.000000000000000 0.000000000000000 b 0.000000000000000 7.192221670000000 0.000000000000000 c -4.920316190147236 0.000000000000000 6.937453070511565 Atomic positions (fractional): *1 Sr 0.63762180146616 0.37333515011129 0.36850806639422 87.620 2 Sr 0.36237819853384 0.87333515011129 0.13149193360579 87.620 3 Sr 0.36237819853384 0.62666484988871 0.63149193360578 87.620 4 Sr 0.63762180146616 0.12666484988871 0.86850806639422 87.620 *5 Te 0.12320345559021 0.17187111992264 0.40207934627154 127.600 6 Te 0.87679654440979 0.67187111992264 0.09792065372846 127.600 7 Te 0.87679654440979 0.82812888007736 0.59792065372846 127.600 8 Te 0.12320345559021 0.32812888007736 0.90207934627154 127.600 *9 O 0.41628074136874 0.18892830293069 0.02463129825730 15.999 10 O 0.58371925863125 0.68892830293069 0.47536870174270 15.999 11 O 0.58371925863125 0.81107169706931 0.97536870174270 15.999 12 O 0.41628074136874 0.31107169706931 0.52463129825730 15.999 *13 O 0.09574189583312 0.08444352361151 0.18067910456477 15.999 14 O 0.90425810416688 0.58444352361151 0.31932089543523 15.999 15 O 0.90425810416688 0.91555647638849 0.81932089543523 15.999 16 O 0.09574189583312 0.41555647638849 0.68067910456477 15.999 *17 O 0.26940642628910 0.96954947542724 0.57265458178168 15.999 18 O 0.73059357371090 0.46954947542724 0.92734541821832 15.999 19 O 0.73059357371090 0.03045052457276 0.42734541821832 15.999 20 O 0.26940642628910 0.53045052457276 0.07265458178168 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.735390536822617 0.000000000000000 0.000000000000000 b 0.000000000000000 7.192221670000000 0.000000000000000 c -4.920316190147236 0.000000000000000 6.937453070511565 Atomic positions (fractional): *1 Sr 0.63762180146616 0.37333515011129 0.36850806639422 87.620 > 1 2 Sr 0.36237819853384 0.87333515011129 0.13149193360579 87.620 > 2 3 Sr 0.36237819853384 0.62666484988871 0.63149193360578 87.620 > 3 4 Sr 0.63762180146616 0.12666484988871 0.86850806639422 87.620 > 4 *5 Te 0.12320345559021 0.17187111992264 0.40207934627154 127.600 > 5 6 Te 0.87679654440979 0.67187111992264 0.09792065372846 127.600 > 6 7 Te 0.87679654440979 0.82812888007736 0.59792065372846 127.600 > 7 8 Te 0.12320345559021 0.32812888007736 0.90207934627154 127.600 > 8 *9 O 0.41628074136874 0.18892830293069 0.02463129825730 15.999 > 9 10 O 0.58371925863125 0.68892830293069 0.47536870174270 15.999 > 10 11 O 0.58371925863125 0.81107169706931 0.97536870174270 15.999 > 11 12 O 0.41628074136874 0.31107169706931 0.52463129825730 15.999 > 12 *13 O 0.09574189583312 0.08444352361151 0.18067910456477 15.999 > 13 14 O 0.90425810416688 0.58444352361151 0.31932089543523 15.999 > 14 15 O 0.90425810416688 0.91555647638849 0.81932089543523 15.999 > 15 16 O 0.09574189583312 0.41555647638849 0.68067910456477 15.999 > 16 *17 O 0.26940642628910 0.96954947542724 0.57265458178168 15.999 > 17 18 O 0.73059357371090 0.46954947542724 0.92734541821832 15.999 > 18 19 O 0.73059357371090 0.03045052457276 0.42734541821832 15.999 > 19 20 O 0.26940642628910 0.53045052457276 0.07265458178168 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.470781073645234 0.000000000000000 0.000000000000000 b 0.000000000000000 14.384443340000001 0.000000000000000 c -4.920316190147236 0.000000000000000 6.937453070511565 Atomic positions (fractional): *1 Sr 0.31881090073308 0.18666757505564 0.36850806639422 87.620 > 1 2 Sr 0.81881090073308 0.18666757505564 0.36850806639422 87.620 > 1 3 Sr 0.31881090073308 0.68666757505564 0.36850806639422 87.620 > 1 4 Sr 0.81881090073308 0.68666757505564 0.36850806639422 87.620 > 1 5 Sr 0.18118909926692 0.43666757505564 0.13149193360579 87.620 > 2 6 Sr 0.68118909926692 0.43666757505564 0.13149193360579 87.620 > 2 7 Sr 0.18118909926692 0.93666757505564 0.13149193360579 87.620 > 2 8 Sr 0.68118909926692 0.93666757505564 0.13149193360579 87.620 > 2 9 Sr 0.18118909926692 0.31333242494436 0.63149193360578 87.620 > 3 10 Sr 0.68118909926692 0.31333242494436 0.63149193360578 87.620 > 3 11 Sr 0.18118909926692 0.81333242494436 0.63149193360578 87.620 > 3 12 Sr 0.68118909926692 0.81333242494436 0.63149193360578 87.620 > 3 13 Sr 0.31881090073308 0.06333242494436 0.86850806639422 87.620 > 4 14 Sr 0.81881090073308 0.06333242494436 0.86850806639422 87.620 > 4 15 Sr 0.31881090073308 0.56333242494436 0.86850806639422 87.620 > 4 16 Sr 0.81881090073308 0.56333242494436 0.86850806639422 87.620 > 4 *17 Te 0.06160172779511 0.08593555996132 0.40207934627154 127.600 > 5 18 Te 0.56160172779511 0.08593555996132 0.40207934627154 127.600 > 5 19 Te 0.06160172779511 0.58593555996132 0.40207934627154 127.600 > 5 20 Te 0.56160172779511 0.58593555996132 0.40207934627154 127.600 > 5 21 Te 0.43839827220489 0.33593555996132 0.09792065372846 127.600 > 6 22 Te 0.93839827220489 0.33593555996132 0.09792065372846 127.600 > 6 23 Te 0.43839827220489 0.83593555996132 0.09792065372846 127.600 > 6 24 Te 0.93839827220489 0.83593555996132 0.09792065372846 127.600 > 6 25 Te 0.43839827220489 0.41406444003868 0.59792065372846 127.600 > 7 26 Te 0.93839827220489 0.41406444003868 0.59792065372846 127.600 > 7 27 Te 0.43839827220489 0.91406444003868 0.59792065372846 127.600 > 7 28 Te 0.93839827220489 0.91406444003868 0.59792065372846 127.600 > 7 29 Te 0.06160172779511 0.16406444003868 0.90207934627154 127.600 > 8 30 Te 0.56160172779511 0.16406444003868 0.90207934627154 127.600 > 8 31 Te 0.06160172779511 0.66406444003868 0.90207934627154 127.600 > 8 32 Te 0.56160172779511 0.66406444003868 0.90207934627154 127.600 > 8 *33 O 0.20814037068437 0.09446415146535 0.02463129825730 15.999 > 9 34 O 0.70814037068437 0.09446415146535 0.02463129825730 15.999 > 9 35 O 0.20814037068437 0.59446415146535 0.02463129825730 15.999 > 9 36 O 0.70814037068437 0.59446415146535 0.02463129825730 15.999 > 9 37 O 0.29185962931563 0.34446415146535 0.47536870174270 15.999 > 10 38 O 0.79185962931563 0.34446415146535 0.47536870174270 15.999 > 10 39 O 0.29185962931563 0.84446415146535 0.47536870174270 15.999 > 10 40 O 0.79185962931563 0.84446415146535 0.47536870174270 15.999 > 10 41 O 0.29185962931563 0.40553584853465 0.97536870174270 15.999 > 11 42 O 0.79185962931563 0.40553584853465 0.97536870174270 15.999 > 11 43 O 0.29185962931563 0.90553584853465 0.97536870174270 15.999 > 11 44 O 0.79185962931563 0.90553584853465 0.97536870174270 15.999 > 11 45 O 0.20814037068437 0.15553584853465 0.52463129825730 15.999 > 12 46 O 0.70814037068437 0.15553584853465 0.52463129825730 15.999 > 12 47 O 0.20814037068437 0.65553584853465 0.52463129825730 15.999 > 12 48 O 0.70814037068437 0.65553584853465 0.52463129825730 15.999 > 12 *49 O 0.04787094791656 0.04222176180576 0.18067910456477 15.999 > 13 50 O 0.54787094791656 0.04222176180576 0.18067910456477 15.999 > 13 51 O 0.04787094791656 0.54222176180575 0.18067910456477 15.999 > 13 52 O 0.54787094791656 0.54222176180575 0.18067910456477 15.999 > 13 53 O 0.45212905208344 0.29222176180575 0.31932089543523 15.999 > 14 54 O 0.95212905208344 0.29222176180575 0.31932089543523 15.999 > 14 55 O 0.45212905208344 0.79222176180575 0.31932089543523 15.999 > 14 56 O 0.95212905208344 0.79222176180575 0.31932089543523 15.999 > 14 57 O 0.45212905208344 0.45777823819425 0.81932089543523 15.999 > 15 58 O 0.95212905208344 0.45777823819425 0.81932089543523 15.999 > 15 59 O 0.45212905208344 0.95777823819425 0.81932089543523 15.999 > 15 60 O 0.95212905208344 0.95777823819425 0.81932089543523 15.999 > 15 61 O 0.04787094791656 0.20777823819425 0.68067910456477 15.999 > 16 62 O 0.54787094791656 0.20777823819425 0.68067910456477 15.999 > 16 63 O 0.04787094791656 0.70777823819425 0.68067910456477 15.999 > 16 64 O 0.54787094791656 0.70777823819425 0.68067910456477 15.999 > 16 *65 O 0.13470321314455 0.48477473771362 0.57265458178168 15.999 > 17 66 O 0.63470321314455 0.48477473771362 0.57265458178168 15.999 > 17 67 O 0.13470321314455 0.98477473771362 0.57265458178168 15.999 > 17 68 O 0.63470321314455 0.98477473771362 0.57265458178168 15.999 > 17 69 O 0.36529678685545 0.23477473771362 0.92734541821832 15.999 > 18 70 O 0.86529678685545 0.23477473771362 0.92734541821832 15.999 > 18 71 O 0.36529678685545 0.73477473771362 0.92734541821832 15.999 > 18 72 O 0.86529678685545 0.73477473771362 0.92734541821832 15.999 > 18 73 O 0.36529678685545 0.01522526228638 0.42734541821832 15.999 > 19 74 O 0.86529678685545 0.01522526228638 0.42734541821832 15.999 > 19 75 O 0.36529678685545 0.51522526228638 0.42734541821832 15.999 > 19 76 O 0.86529678685545 0.51522526228638 0.42734541821832 15.999 > 19 77 O 0.13470321314455 0.26522526228638 0.07265458178168 15.999 > 20 78 O 0.63470321314455 0.26522526228638 0.07265458178168 15.999 > 20 79 O 0.13470321314455 0.76522526228638 0.07265458178168 15.999 > 20 80 O 0.63470321314455 0.76522526228638 0.07265458178168 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6973664 0.0000000 -0.1788620 0.0000000 3.8991628 0.0000000 -0.1788612 0.0000000 4.0080948 -------------------------- Born effective charges -------------------------- 1 Sr 2.5644692 0.1972881 0.1158770 0.1052753 2.7580752 -0.0588271 0.1122230 -0.2434341 2.6065685 2 Sr 2.5644692 -0.1972881 0.1158770 -0.1052753 2.7580752 0.0588271 0.1122230 0.2434341 2.6065685 3 Sr 2.5644692 0.1972881 0.1158770 0.1052753 2.7580752 -0.0588271 0.1122230 -0.2434341 2.6065685 4 Sr 2.5644692 -0.1972881 0.1158770 -0.1052753 2.7580752 0.0588271 0.1122230 0.2434341 2.6065685 5 Te 2.7085178 0.3502916 -0.5124862 0.3711953 3.0595960 0.1757602 -0.4921961 0.2955616 3.4841488 6 Te 2.7085178 -0.3502916 -0.5124862 -0.3711953 3.0595960 -0.1757602 -0.4921961 -0.2955616 3.4841488 7 Te 2.7085178 0.3502916 -0.5124862 0.3711953 3.0595960 0.1757602 -0.4921961 0.2955616 3.4841488 8 Te 2.7085178 -0.3502916 -0.5124862 -0.3711953 3.0595960 -0.1757602 -0.4921961 -0.2955616 3.4841488 9 O -2.0988765 0.4522526 -0.2621557 0.7969040 -1.9450420 0.5525841 -0.3419337 0.2986392 -1.6317871 10 O -2.0988765 -0.4522526 -0.2621557 -0.7969040 -1.9450420 -0.5525841 -0.3419337 -0.2986392 -1.6317871 11 O -2.0988765 0.4522526 -0.2621557 0.7969040 -1.9450420 0.5525841 -0.3419337 0.2986392 -1.6317871 12 O -2.0988765 -0.4522526 -0.2621557 -0.7969040 -1.9450420 -0.5525841 -0.3419337 -0.2986392 -1.6317871 13 O -1.6917815 0.2650803 0.5340884 0.2590454 -1.5596501 -0.2364618 0.9730667 -0.6242529 -2.6274395 14 O -1.6917815 -0.2650803 0.5340884 -0.2590454 -1.5596501 0.2364618 0.9730667 0.6242529 -2.6274395 15 O -1.6917815 0.2650803 0.5340884 0.2590454 -1.5596501 -0.2364618 0.9730667 -0.6242529 -2.6274395 16 O -1.6917815 -0.2650803 0.5340884 -0.2590454 -1.5596501 0.2364618 0.9730667 0.6242529 -2.6274395 17 O -1.4823290 -0.4184677 0.1246766 -0.0450674 -2.3129790 0.7147553 -0.2511598 0.7033407 -1.8314908 18 O -1.4823290 0.4184677 0.1246766 0.0450674 -2.3129790 -0.7147553 -0.2511598 -0.7033407 -1.8314908 19 O -1.4823290 -0.4184677 0.1246766 -0.0450674 -2.3129790 0.7147553 -0.2511598 0.7033407 -1.8314908 20 O -1.4823290 0.4184677 0.1246766 0.0450674 -2.3129790 -0.7147553 -0.2511598 -0.7033407 -1.8314908 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.193 Solver_block: 200 / 640 - Time: 2.204 Solver_block: 300 / 640 - Time: 2.196 Solver_block: 400 / 640 - Time: 2.201 Solver_block: 500 / 640 - Time: 2.197 Solver_block: 600 / 640 - Time: 2.203 Solver_block: 640 / 640 - Time: 0.936 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.177 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), 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 2026-01-09 04:30:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:30:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.735390536822617 0.000000000000000 0.000000000000000 b 0.000000000000000 7.192221670000000 0.000000000000000 c -4.920316190147236 0.000000000000000 6.937453070511565 Atomic positions (fractional): 1 Sr 0.63762180146616 0.37333515011129 0.36850806639422 87.620 2 Sr 0.36237819853384 0.87333515011129 0.13149193360579 87.620 3 Sr 0.36237819853384 0.62666484988871 0.63149193360578 87.620 4 Sr 0.63762180146616 0.12666484988871 0.86850806639422 87.620 5 Te 0.12320345559021 0.17187111992264 0.40207934627154 127.600 6 Te 0.87679654440979 0.67187111992264 0.09792065372846 127.600 7 Te 0.87679654440979 0.82812888007736 0.59792065372846 127.600 8 Te 0.12320345559021 0.32812888007736 0.90207934627154 127.600 9 O 0.41628074136874 0.18892830293069 0.02463129825730 15.999 10 O 0.58371925863125 0.68892830293069 0.47536870174270 15.999 11 O 0.58371925863125 0.81107169706931 0.97536870174270 15.999 12 O 0.41628074136874 0.31107169706931 0.52463129825730 15.999 13 O 0.09574189583312 0.08444352361151 0.18067910456477 15.999 14 O 0.90425810416688 0.58444352361151 0.31932089543523 15.999 15 O 0.90425810416688 0.91555647638849 0.81932089543523 15.999 16 O 0.09574189583312 0.41555647638849 0.68067910456477 15.999 17 O 0.26940642628910 0.96954947542724 0.57265458178168 15.999 18 O 0.73059357371090 0.46954947542724 0.92734541821832 15.999 19 O 0.73059357371090 0.03045052457276 0.42734541821832 15.999 20 O 0.26940642628910 0.53045052457276 0.07265458178168 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.470781073645234 0.000000000000000 0.000000000000000 b 0.000000000000000 14.384443340000001 0.000000000000000 c -4.920316190147236 0.000000000000000 6.937453070511565 Atomic positions (fractional): 1 Sr 0.31881090073308 0.18666757505564 0.36850806639422 87.620 > 1 2 Sr 0.81881090073308 0.18666757505564 0.36850806639422 87.620 > 1 3 Sr 0.31881090073308 0.68666757505564 0.36850806639422 87.620 > 1 4 Sr 0.81881090073308 0.68666757505564 0.36850806639422 87.620 > 1 5 Sr 0.18118909926692 0.43666757505564 0.13149193360579 87.620 > 5 6 Sr 0.68118909926692 0.43666757505564 0.13149193360579 87.620 > 5 7 Sr 0.18118909926692 0.93666757505564 0.13149193360579 87.620 > 5 8 Sr 0.68118909926692 0.93666757505564 0.13149193360579 87.620 > 5 9 Sr 0.18118909926692 0.31333242494436 0.63149193360578 87.620 > 9 10 Sr 0.68118909926692 0.31333242494436 0.63149193360578 87.620 > 9 11 Sr 0.18118909926692 0.81333242494436 0.63149193360578 87.620 > 9 12 Sr 0.68118909926692 0.81333242494436 0.63149193360578 87.620 > 9 13 Sr 0.31881090073308 0.06333242494436 0.86850806639422 87.620 > 13 14 Sr 0.81881090073308 0.06333242494436 0.86850806639422 87.620 > 13 15 Sr 0.31881090073308 0.56333242494436 0.86850806639422 87.620 > 13 16 Sr 0.81881090073308 0.56333242494436 0.86850806639422 87.620 > 13 17 Te 0.06160172779511 0.08593555996132 0.40207934627154 127.600 > 17 18 Te 0.56160172779511 0.08593555996132 0.40207934627154 127.600 > 17 19 Te 0.06160172779511 0.58593555996132 0.40207934627154 127.600 > 17 20 Te 0.56160172779511 0.58593555996132 0.40207934627154 127.600 > 17 21 Te 0.43839827220489 0.33593555996132 0.09792065372846 127.600 > 21 22 Te 0.93839827220489 0.33593555996132 0.09792065372846 127.600 > 21 23 Te 0.43839827220489 0.83593555996132 0.09792065372846 127.600 > 21 24 Te 0.93839827220489 0.83593555996132 0.09792065372846 127.600 > 21 25 Te 0.43839827220489 0.41406444003868 0.59792065372846 127.600 > 25 26 Te 0.93839827220489 0.41406444003868 0.59792065372846 127.600 > 25 27 Te 0.43839827220489 0.91406444003868 0.59792065372846 127.600 > 25 28 Te 0.93839827220489 0.91406444003868 0.59792065372846 127.600 > 25 29 Te 0.06160172779511 0.16406444003868 0.90207934627154 127.600 > 29 30 Te 0.56160172779511 0.16406444003868 0.90207934627154 127.600 > 29 31 Te 0.06160172779511 0.66406444003868 0.90207934627154 127.600 > 29 32 Te 0.56160172779511 0.66406444003868 0.90207934627154 127.600 > 29 33 O 0.20814037068437 0.09446415146535 0.02463129825730 15.999 > 33 34 O 0.70814037068437 0.09446415146535 0.02463129825730 15.999 > 33 35 O 0.20814037068437 0.59446415146535 0.02463129825730 15.999 > 33 36 O 0.70814037068437 0.59446415146535 0.02463129825730 15.999 > 33 37 O 0.29185962931563 0.34446415146535 0.47536870174270 15.999 > 37 38 O 0.79185962931563 0.34446415146535 0.47536870174270 15.999 > 37 39 O 0.29185962931563 0.84446415146535 0.47536870174270 15.999 > 37 40 O 0.79185962931563 0.84446415146535 0.47536870174270 15.999 > 37 41 O 0.29185962931563 0.40553584853465 0.97536870174270 15.999 > 41 42 O 0.79185962931563 0.40553584853465 0.97536870174270 15.999 > 41 43 O 0.29185962931563 0.90553584853465 0.97536870174270 15.999 > 41 44 O 0.79185962931563 0.90553584853465 0.97536870174270 15.999 > 41 45 O 0.20814037068437 0.15553584853465 0.52463129825730 15.999 > 45 46 O 0.70814037068437 0.15553584853465 0.52463129825730 15.999 > 45 47 O 0.20814037068437 0.65553584853465 0.52463129825730 15.999 > 45 48 O 0.70814037068437 0.65553584853465 0.52463129825730 15.999 > 45 49 O 0.04787094791656 0.04222176180576 0.18067910456477 15.999 > 49 50 O 0.54787094791656 0.04222176180576 0.18067910456477 15.999 > 49 51 O 0.04787094791656 0.54222176180575 0.18067910456477 15.999 > 49 52 O 0.54787094791656 0.54222176180575 0.18067910456477 15.999 > 49 53 O 0.45212905208344 0.29222176180575 0.31932089543523 15.999 > 53 54 O 0.95212905208344 0.29222176180575 0.31932089543523 15.999 > 53 55 O 0.45212905208344 0.79222176180575 0.31932089543523 15.999 > 53 56 O 0.95212905208344 0.79222176180575 0.31932089543523 15.999 > 53 57 O 0.45212905208344 0.45777823819425 0.81932089543523 15.999 > 57 58 O 0.95212905208344 0.45777823819425 0.81932089543523 15.999 > 57 59 O 0.45212905208344 0.95777823819425 0.81932089543523 15.999 > 57 60 O 0.95212905208344 0.95777823819425 0.81932089543523 15.999 > 57 61 O 0.04787094791656 0.20777823819425 0.68067910456477 15.999 > 61 62 O 0.54787094791656 0.20777823819425 0.68067910456477 15.999 > 61 63 O 0.04787094791656 0.70777823819425 0.68067910456477 15.999 > 61 64 O 0.54787094791656 0.70777823819425 0.68067910456477 15.999 > 61 65 O 0.13470321314455 0.48477473771362 0.57265458178168 15.999 > 65 66 O 0.63470321314455 0.48477473771362 0.57265458178168 15.999 > 65 67 O 0.13470321314455 0.98477473771362 0.57265458178168 15.999 > 65 68 O 0.63470321314455 0.98477473771362 0.57265458178168 15.999 > 65 69 O 0.36529678685545 0.23477473771362 0.92734541821832 15.999 > 69 70 O 0.86529678685545 0.23477473771362 0.92734541821832 15.999 > 69 71 O 0.36529678685545 0.73477473771362 0.92734541821832 15.999 > 69 72 O 0.86529678685545 0.73477473771362 0.92734541821832 15.999 > 69 73 O 0.36529678685545 0.01522526228638 0.42734541821832 15.999 > 73 74 O 0.86529678685545 0.01522526228638 0.42734541821832 15.999 > 73 75 O 0.36529678685545 0.51522526228638 0.42734541821832 15.999 > 73 76 O 0.86529678685545 0.51522526228638 0.42734541821832 15.999 > 73 77 O 0.13470321314455 0.26522526228638 0.07265458178168 15.999 > 77 78 O 0.63470321314455 0.26522526228638 0.07265458178168 15.999 > 77 79 O 0.13470321314455 0.76522526228638 0.07265458178168 15.999 > 77 80 O 0.63470321314455 0.76522526228638 0.07265458178168 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6973664 0.0000000 -0.1788620 0.0000000 3.8991628 0.0000000 -0.1788612 0.0000000 4.0080948 -------------------------- Born effective charges -------------------------- 1 Sr 2.5644692 0.1972881 0.1158770 0.1052753 2.7580752 -0.0588271 0.1122230 -0.2434341 2.6065685 2 Sr 2.5644692 -0.1972881 0.1158770 -0.1052753 2.7580752 0.0588271 0.1122230 0.2434341 2.6065685 3 Sr 2.5644692 0.1972881 0.1158770 0.1052753 2.7580752 -0.0588271 0.1122230 -0.2434341 2.6065685 4 Sr 2.5644692 -0.1972881 0.1158770 -0.1052753 2.7580752 0.0588271 0.1122230 0.2434341 2.6065685 5 Te 2.7085178 0.3502916 -0.5124862 0.3711953 3.0595960 0.1757602 -0.4921961 0.2955616 3.4841488 6 Te 2.7085178 -0.3502916 -0.5124862 -0.3711953 3.0595960 -0.1757602 -0.4921961 -0.2955616 3.4841488 7 Te 2.7085178 0.3502916 -0.5124862 0.3711953 3.0595960 0.1757602 -0.4921961 0.2955616 3.4841488 8 Te 2.7085178 -0.3502916 -0.5124862 -0.3711953 3.0595960 -0.1757602 -0.4921961 -0.2955616 3.4841488 9 O -2.0988765 0.4522526 -0.2621557 0.7969040 -1.9450420 0.5525841 -0.3419337 0.2986392 -1.6317871 10 O -2.0988765 -0.4522526 -0.2621557 -0.7969040 -1.9450420 -0.5525841 -0.3419337 -0.2986392 -1.6317871 11 O -2.0988765 0.4522526 -0.2621557 0.7969040 -1.9450420 0.5525841 -0.3419337 0.2986392 -1.6317871 12 O -2.0988765 -0.4522526 -0.2621557 -0.7969040 -1.9450420 -0.5525841 -0.3419337 -0.2986392 -1.6317871 13 O -1.6917815 0.2650803 0.5340884 0.2590454 -1.5596501 -0.2364618 0.9730667 -0.6242529 -2.6274395 14 O -1.6917815 -0.2650803 0.5340884 -0.2590454 -1.5596501 0.2364618 0.9730667 0.6242529 -2.6274395 15 O -1.6917815 0.2650803 0.5340884 0.2590454 -1.5596501 -0.2364618 0.9730667 -0.6242529 -2.6274395 16 O -1.6917815 -0.2650803 0.5340884 -0.2590454 -1.5596501 0.2364618 0.9730667 0.6242529 -2.6274395 17 O -1.4823290 -0.4184677 0.1246766 -0.0450674 -2.3129790 0.7147553 -0.2511598 0.7033407 -1.8314908 18 O -1.4823290 0.4184677 0.1246766 0.0450674 -2.3129790 -0.7147553 -0.2511598 -0.7033407 -1.8314908 19 O -1.4823290 -0.4184677 0.1246766 -0.0450674 -2.3129790 0.7147553 -0.2511598 0.7033407 -1.8314908 20 O -1.4823290 0.4184677 0.1246766 0.0450674 -2.3129790 -0.7147553 -0.2511598 -0.7033407 -1.8314908 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:31:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:31:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.735390536822617 0.000000000000000 0.000000000000000 b 0.000000000000000 7.192221670000000 0.000000000000000 c -4.920316190147236 0.000000000000000 6.937453070511565 Atomic positions (fractional): 1 Sr 0.63762180146616 0.37333515011129 0.36850806639422 87.620 2 Sr 0.36237819853384 0.87333515011129 0.13149193360579 87.620 3 Sr 0.36237819853384 0.62666484988871 0.63149193360578 87.620 4 Sr 0.63762180146616 0.12666484988871 0.86850806639422 87.620 5 Te 0.12320345559021 0.17187111992264 0.40207934627154 127.600 6 Te 0.87679654440979 0.67187111992264 0.09792065372846 127.600 7 Te 0.87679654440979 0.82812888007736 0.59792065372846 127.600 8 Te 0.12320345559021 0.32812888007736 0.90207934627154 127.600 9 O 0.41628074136874 0.18892830293069 0.02463129825730 15.999 10 O 0.58371925863125 0.68892830293069 0.47536870174270 15.999 11 O 0.58371925863125 0.81107169706931 0.97536870174270 15.999 12 O 0.41628074136874 0.31107169706931 0.52463129825730 15.999 13 O 0.09574189583312 0.08444352361151 0.18067910456477 15.999 14 O 0.90425810416688 0.58444352361151 0.31932089543523 15.999 15 O 0.90425810416688 0.91555647638849 0.81932089543523 15.999 16 O 0.09574189583312 0.41555647638849 0.68067910456477 15.999 17 O 0.26940642628910 0.96954947542724 0.57265458178168 15.999 18 O 0.73059357371090 0.46954947542724 0.92734541821832 15.999 19 O 0.73059357371090 0.03045052457276 0.42734541821832 15.999 20 O 0.26940642628910 0.53045052457276 0.07265458178168 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.470781073645234 0.000000000000000 0.000000000000000 b 0.000000000000000 14.384443340000001 0.000000000000000 c -4.920316190147236 0.000000000000000 6.937453070511565 Atomic positions (fractional): 1 Sr 0.31881090073308 0.18666757505564 0.36850806639422 87.620 > 1 2 Sr 0.81881090073308 0.18666757505564 0.36850806639422 87.620 > 1 3 Sr 0.31881090073308 0.68666757505564 0.36850806639422 87.620 > 1 4 Sr 0.81881090073308 0.68666757505564 0.36850806639422 87.620 > 1 5 Sr 0.18118909926692 0.43666757505564 0.13149193360579 87.620 > 5 6 Sr 0.68118909926692 0.43666757505564 0.13149193360579 87.620 > 5 7 Sr 0.18118909926692 0.93666757505564 0.13149193360579 87.620 > 5 8 Sr 0.68118909926692 0.93666757505564 0.13149193360579 87.620 > 5 9 Sr 0.18118909926692 0.31333242494436 0.63149193360578 87.620 > 9 10 Sr 0.68118909926692 0.31333242494436 0.63149193360578 87.620 > 9 11 Sr 0.18118909926692 0.81333242494436 0.63149193360578 87.620 > 9 12 Sr 0.68118909926692 0.81333242494436 0.63149193360578 87.620 > 9 13 Sr 0.31881090073308 0.06333242494436 0.86850806639422 87.620 > 13 14 Sr 0.81881090073308 0.06333242494436 0.86850806639422 87.620 > 13 15 Sr 0.31881090073308 0.56333242494436 0.86850806639422 87.620 > 13 16 Sr 0.81881090073308 0.56333242494436 0.86850806639422 87.620 > 13 17 Te 0.06160172779511 0.08593555996132 0.40207934627154 127.600 > 17 18 Te 0.56160172779511 0.08593555996132 0.40207934627154 127.600 > 17 19 Te 0.06160172779511 0.58593555996132 0.40207934627154 127.600 > 17 20 Te 0.56160172779511 0.58593555996132 0.40207934627154 127.600 > 17 21 Te 0.43839827220489 0.33593555996132 0.09792065372846 127.600 > 21 22 Te 0.93839827220489 0.33593555996132 0.09792065372846 127.600 > 21 23 Te 0.43839827220489 0.83593555996132 0.09792065372846 127.600 > 21 24 Te 0.93839827220489 0.83593555996132 0.09792065372846 127.600 > 21 25 Te 0.43839827220489 0.41406444003868 0.59792065372846 127.600 > 25 26 Te 0.93839827220489 0.41406444003868 0.59792065372846 127.600 > 25 27 Te 0.43839827220489 0.91406444003868 0.59792065372846 127.600 > 25 28 Te 0.93839827220489 0.91406444003868 0.59792065372846 127.600 > 25 29 Te 0.06160172779511 0.16406444003868 0.90207934627154 127.600 > 29 30 Te 0.56160172779511 0.16406444003868 0.90207934627154 127.600 > 29 31 Te 0.06160172779511 0.66406444003868 0.90207934627154 127.600 > 29 32 Te 0.56160172779511 0.66406444003868 0.90207934627154 127.600 > 29 33 O 0.20814037068437 0.09446415146535 0.02463129825730 15.999 > 33 34 O 0.70814037068437 0.09446415146535 0.02463129825730 15.999 > 33 35 O 0.20814037068437 0.59446415146535 0.02463129825730 15.999 > 33 36 O 0.70814037068437 0.59446415146535 0.02463129825730 15.999 > 33 37 O 0.29185962931563 0.34446415146535 0.47536870174270 15.999 > 37 38 O 0.79185962931563 0.34446415146535 0.47536870174270 15.999 > 37 39 O 0.29185962931563 0.84446415146535 0.47536870174270 15.999 > 37 40 O 0.79185962931563 0.84446415146535 0.47536870174270 15.999 > 37 41 O 0.29185962931563 0.40553584853465 0.97536870174270 15.999 > 41 42 O 0.79185962931563 0.40553584853465 0.97536870174270 15.999 > 41 43 O 0.29185962931563 0.90553584853465 0.97536870174270 15.999 > 41 44 O 0.79185962931563 0.90553584853465 0.97536870174270 15.999 > 41 45 O 0.20814037068437 0.15553584853465 0.52463129825730 15.999 > 45 46 O 0.70814037068437 0.15553584853465 0.52463129825730 15.999 > 45 47 O 0.20814037068437 0.65553584853465 0.52463129825730 15.999 > 45 48 O 0.70814037068437 0.65553584853465 0.52463129825730 15.999 > 45 49 O 0.04787094791656 0.04222176180576 0.18067910456477 15.999 > 49 50 O 0.54787094791656 0.04222176180576 0.18067910456477 15.999 > 49 51 O 0.04787094791656 0.54222176180575 0.18067910456477 15.999 > 49 52 O 0.54787094791656 0.54222176180575 0.18067910456477 15.999 > 49 53 O 0.45212905208344 0.29222176180575 0.31932089543523 15.999 > 53 54 O 0.95212905208344 0.29222176180575 0.31932089543523 15.999 > 53 55 O 0.45212905208344 0.79222176180575 0.31932089543523 15.999 > 53 56 O 0.95212905208344 0.79222176180575 0.31932089543523 15.999 > 53 57 O 0.45212905208344 0.45777823819425 0.81932089543523 15.999 > 57 58 O 0.95212905208344 0.45777823819425 0.81932089543523 15.999 > 57 59 O 0.45212905208344 0.95777823819425 0.81932089543523 15.999 > 57 60 O 0.95212905208344 0.95777823819425 0.81932089543523 15.999 > 57 61 O 0.04787094791656 0.20777823819425 0.68067910456477 15.999 > 61 62 O 0.54787094791656 0.20777823819425 0.68067910456477 15.999 > 61 63 O 0.04787094791656 0.70777823819425 0.68067910456477 15.999 > 61 64 O 0.54787094791656 0.70777823819425 0.68067910456477 15.999 > 61 65 O 0.13470321314455 0.48477473771362 0.57265458178168 15.999 > 65 66 O 0.63470321314455 0.48477473771362 0.57265458178168 15.999 > 65 67 O 0.13470321314455 0.98477473771362 0.57265458178168 15.999 > 65 68 O 0.63470321314455 0.98477473771362 0.57265458178168 15.999 > 65 69 O 0.36529678685545 0.23477473771362 0.92734541821832 15.999 > 69 70 O 0.86529678685545 0.23477473771362 0.92734541821832 15.999 > 69 71 O 0.36529678685545 0.73477473771362 0.92734541821832 15.999 > 69 72 O 0.86529678685545 0.73477473771362 0.92734541821832 15.999 > 69 73 O 0.36529678685545 0.01522526228638 0.42734541821832 15.999 > 73 74 O 0.86529678685545 0.01522526228638 0.42734541821832 15.999 > 73 75 O 0.36529678685545 0.51522526228638 0.42734541821832 15.999 > 73 76 O 0.86529678685545 0.51522526228638 0.42734541821832 15.999 > 73 77 O 0.13470321314455 0.26522526228638 0.07265458178168 15.999 > 77 78 O 0.63470321314455 0.26522526228638 0.07265458178168 15.999 > 77 79 O 0.13470321314455 0.76522526228638 0.07265458178168 15.999 > 77 80 O 0.63470321314455 0.76522526228638 0.07265458178168 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6973664 0.0000000 -0.1788620 0.0000000 3.8991628 0.0000000 -0.1788612 0.0000000 4.0080948 -------------------------- Born effective charges -------------------------- 1 Sr 2.5644692 0.1972881 0.1158770 0.1052753 2.7580752 -0.0588271 0.1122230 -0.2434341 2.6065685 2 Sr 2.5644692 -0.1972881 0.1158770 -0.1052753 2.7580752 0.0588271 0.1122230 0.2434341 2.6065685 3 Sr 2.5644692 0.1972881 0.1158770 0.1052753 2.7580752 -0.0588271 0.1122230 -0.2434341 2.6065685 4 Sr 2.5644692 -0.1972881 0.1158770 -0.1052753 2.7580752 0.0588271 0.1122230 0.2434341 2.6065685 5 Te 2.7085178 0.3502916 -0.5124862 0.3711953 3.0595960 0.1757602 -0.4921961 0.2955616 3.4841488 6 Te 2.7085178 -0.3502916 -0.5124862 -0.3711953 3.0595960 -0.1757602 -0.4921961 -0.2955616 3.4841488 7 Te 2.7085178 0.3502916 -0.5124862 0.3711953 3.0595960 0.1757602 -0.4921961 0.2955616 3.4841488 8 Te 2.7085178 -0.3502916 -0.5124862 -0.3711953 3.0595960 -0.1757602 -0.4921961 -0.2955616 3.4841488 9 O -2.0988765 0.4522526 -0.2621557 0.7969040 -1.9450420 0.5525841 -0.3419337 0.2986392 -1.6317871 10 O -2.0988765 -0.4522526 -0.2621557 -0.7969040 -1.9450420 -0.5525841 -0.3419337 -0.2986392 -1.6317871 11 O -2.0988765 0.4522526 -0.2621557 0.7969040 -1.9450420 0.5525841 -0.3419337 0.2986392 -1.6317871 12 O -2.0988765 -0.4522526 -0.2621557 -0.7969040 -1.9450420 -0.5525841 -0.3419337 -0.2986392 -1.6317871 13 O -1.6917815 0.2650803 0.5340884 0.2590454 -1.5596501 -0.2364618 0.9730667 -0.6242529 -2.6274395 14 O -1.6917815 -0.2650803 0.5340884 -0.2590454 -1.5596501 0.2364618 0.9730667 0.6242529 -2.6274395 15 O -1.6917815 0.2650803 0.5340884 0.2590454 -1.5596501 -0.2364618 0.9730667 -0.6242529 -2.6274395 16 O -1.6917815 -0.2650803 0.5340884 -0.2590454 -1.5596501 0.2364618 0.9730667 0.6242529 -2.6274395 17 O -1.4823290 -0.4184677 0.1246766 -0.0450674 -2.3129790 0.7147553 -0.2511598 0.7033407 -1.8314908 18 O -1.4823290 0.4184677 0.1246766 0.0450674 -2.3129790 -0.7147553 -0.2511598 -0.7033407 -1.8314908 19 O -1.4823290 -0.4184677 0.1246766 -0.0450674 -2.3129790 0.7147553 -0.2511598 0.7033407 -1.8314908 20 O -1.4823290 0.4184677 0.1246766 0.0450674 -2.3129790 -0.7147553 -0.2511598 -0.7033407 -1.8314908 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 297, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 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 1.849 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.316 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 10.331 ( 0.000 0.000 0.000) 0.000 10.530 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 11.119 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.396 ( 0.000 0.000 0.000) 0.000 19.214 ( 0.000 0.000 0.000) 0.000 19.370 ( 0.000 0.000 0.000) 0.000 19.696 ( 0.000 0.000 0.000) 0.000 19.788 ( 0.000 0.000 0.000) 0.000 20.252 ( 0.000 0.000 0.000) 0.000 20.413 ( 0.000 0.000 0.000) 0.000 20.690 ( 0.000 0.000 0.000) 0.000 20.797 ( 0.000 0.000 0.000) 0.000 21.708 ( 0.000 0.000 0.000) 0.000 22.129 ( 0.000 0.000 0.000) 0.000 22.274 ( 0.000 0.000 0.000) 0.000 22.301 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 14.199 0.000 19.316) 23.973 0.555 ( 22.354 0.000 15.223) 27.045 0.688 ( 22.049 0.000 26.349) 34.357 1.842 ( -2.536 0.000 5.448) 6.010 2.127 ( 1.880 0.000 4.002) 4.422 2.182 ( 2.471 0.000 -6.719) 7.159 2.433 ( -6.250 0.000 4.700) 7.820 2.537 ( 7.983 0.000 8.817) 11.894 2.595 ( 1.236 0.000 -6.632) 6.746 2.637 ( 2.379 0.000 3.786) 4.472 2.732 ( 7.039 0.000 -0.173) 7.042 2.799 ( -2.874 0.000 3.501) 4.530 2.982 ( 6.214 0.000 3.679) 7.222 3.314 ( 1.891 0.000 -14.674) 14.796 3.495 ( -7.331 0.000 -7.131) 10.227 3.565 ( 5.777 0.000 -7.189) 9.222 4.084 ( -0.746 0.000 -9.661) 9.690 4.102 ( -3.877 0.000 -3.110) 4.970 4.197 ( 0.436 0.000 7.049) 7.062 4.281 ( 0.788 0.000 -0.012) 0.788 4.461 ( 5.054 0.000 2.623) 5.694 4.526 ( 6.681 0.000 3.103) 7.366 4.935 ( -6.388 0.000 2.844) 6.992 5.027 ( -9.839 0.000 0.961) 9.886 5.225 ( 5.187 0.000 -0.089) 5.188 5.276 ( -8.976 0.000 1.384) 9.082 5.448 ( -5.540 0.000 6.337) 8.417 5.478 ( 5.652 0.000 -3.887) 6.859 5.515 ( 2.709 0.000 0.252) 2.721 5.749 ( 6.674 0.000 2.613) 7.167 5.802 ( -4.566 0.000 -4.403) 6.343 6.130 ( 10.178 0.000 -2.974) 10.604 6.240 ( 2.080 0.000 1.869) 2.796 6.587 ( 0.891 0.000 2.368) 2.530 6.654 ( -1.914 0.000 -0.979) 2.150 7.442 ( -0.245 0.000 4.964) 4.970 8.309 ( 3.158 0.000 -0.038) 3.158 8.336 ( 1.990 0.000 0.564) 2.068 8.690 ( -0.352 0.000 -0.931) 0.995 9.232 ( -17.087 0.000 22.152) 27.977 9.798 ( 1.624 0.000 -5.192) 5.440 10.138 ( 7.415 0.000 -23.702) 24.834 10.332 ( 2.673 0.000 -3.608) 4.490 10.512 ( -2.636 0.000 0.903) 2.787 11.084 ( 0.526 0.000 -6.200) 6.222 11.320 ( 2.362 0.000 2.950) 3.779 11.399 ( -3.472 0.000 4.921) 6.022 11.632 ( 15.752 0.000 -22.512) 27.476 19.236 ( 1.929 0.000 0.981) 2.164 19.593 ( -14.312 0.000 16.857) 22.113 19.804 ( 0.893 0.000 1.195) 1.492 20.259 ( -4.071 0.000 6.793) 7.920 20.353 ( -1.722 0.000 -5.680) 5.935 20.533 ( -4.998 0.000 6.458) 8.166 20.639 ( -4.664 0.000 -1.963) 5.061 20.889 ( 4.556 0.000 7.077) 8.417 21.712 ( 0.271 0.000 0.306) 0.409 22.249 ( -2.508 0.000 0.478) 2.553 22.328 ( 1.903 0.000 0.653) 2.012 22.573 ( -5.584 0.000 8.459) 10.136 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 13.655 0.000 18.213) 22.764 1.085 ( 21.613 0.000 12.939) 25.190 1.324 ( 18.742 0.000 23.838) 30.323 1.935 ( 2.245 0.000 10.721) 10.954 2.138 ( 3.174 0.000 -8.137) 8.734 2.219 ( 1.251 0.000 6.576) 6.694 2.399 ( -3.019 0.000 3.840) 4.885 2.538 ( 2.649 0.000 -7.982) 8.410 2.722 ( -1.501 0.000 0.734) 1.671 2.734 ( 1.120 0.000 1.154) 1.608 2.802 ( -0.766 0.000 8.673) 8.707 2.888 ( 10.920 0.000 9.560) 14.513 3.136 ( 3.283 0.000 1.492) 3.606 3.195 ( 1.328 0.000 -9.881) 9.969 3.370 ( 3.319 0.000 0.558) 3.366 3.513 ( -5.160 0.000 -1.164) 5.290 3.913 ( -4.456 0.000 -11.902) 12.708 3.957 ( -6.528 0.000 -6.133) 8.957 4.261 ( -1.588 0.000 0.286) 1.613 4.335 ( 4.972 0.000 4.882) 6.968 4.490 ( 3.152 0.000 -7.961) 8.563 4.718 ( 4.084 0.000 6.042) 7.292 4.877 ( -4.947 0.000 3.846) 6.266 4.882 ( -8.568 0.000 4.726) 9.785 5.146 ( -8.911 0.000 2.810) 9.344 5.285 ( -1.341 0.000 0.967) 1.653 5.423 ( 0.982 0.000 -2.036) 2.260 5.495 ( 2.477 0.000 -3.729) 4.476 5.596 ( 5.895 0.000 0.559) 5.921 5.688 ( -3.800 0.000 -1.710) 4.167 5.894 ( 6.710 0.000 1.939) 6.984 6.270 ( 7.439 0.000 1.309) 7.553 6.332 ( 4.496 0.000 4.438) 6.318 6.598 ( -2.687 0.000 -1.729) 3.195 6.632 ( 0.799 0.000 2.348) 2.480 7.513 ( 2.080 0.000 4.264) 4.745 8.378 ( 4.988 0.000 0.082) 4.989 8.393 ( 3.499 0.000 1.335) 3.745 8.668 ( -0.687 0.000 -1.331) 1.498 9.186 ( -10.129 0.000 7.647) 12.691 9.734 ( 1.955 0.000 -11.165) 11.335 9.974 ( -1.205 0.000 -10.214) 10.285 10.335 ( 4.468 0.000 -6.044) 7.516 10.475 ( -3.685 0.000 2.197) 4.290 11.006 ( 0.553 0.000 -8.041) 8.059 11.386 ( -5.832 0.000 5.631) 8.107 11.402 ( 2.625 0.000 3.251) 4.179 11.626 ( 6.167 0.000 -9.348) 11.199 19.303 ( 4.094 0.000 1.938) 4.530 19.546 ( -7.195 0.000 5.821) 9.255 19.840 ( 1.468 0.000 1.430) 2.049 20.259 ( -1.361 0.000 -5.486) 5.652 20.270 ( -6.552 0.000 9.809) 11.796 20.499 ( -8.095 0.000 -3.538) 8.834 20.527 ( 2.261 0.000 -3.479) 4.149 21.069 ( 5.818 0.000 7.795) 9.726 21.722 ( 0.340 0.000 0.394) 0.521 22.208 ( -2.917 0.000 0.139) 2.920 22.371 ( 1.660 0.000 1.630) 2.326 22.582 ( -1.951 0.000 3.763) 4.239 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 12.336 0.000 15.514) 19.821 1.555 ( 18.915 0.000 9.447) 21.143 1.825 ( 11.268 0.000 16.798) 20.227 2.106 ( 2.031 0.000 -3.197) 3.788 2.138 ( 6.535 0.000 8.202) 10.487 2.321 ( 2.500 0.000 6.372) 6.845 2.410 ( -0.937 0.000 2.132) 2.328 2.502 ( 1.712 0.000 -4.278) 4.608 2.583 ( -7.804 0.000 -6.722) 10.300 2.709 ( -2.636 0.000 1.590) 3.079 2.931 ( 1.543 0.000 2.228) 2.710 3.143 ( 2.188 0.000 -0.789) 2.326 3.146 ( 2.256 0.000 3.440) 4.114 3.200 ( 6.961 0.000 8.093) 10.675 3.414 ( -4.338 0.000 -0.499) 4.366 3.564 ( 9.071 0.000 5.576) 10.647 3.675 ( -7.348 0.000 -10.859) 13.112 3.784 ( -5.094 0.000 -3.472) 6.164 4.215 ( -1.344 0.000 -2.777) 3.085 4.393 ( -0.116 0.000 -11.578) 11.579 4.471 ( 3.904 0.000 4.320) 5.823 4.678 ( -6.785 0.000 -0.286) 6.791 4.862 ( -2.806 0.000 4.234) 5.079 4.891 ( -3.922 0.000 2.265) 4.529 5.120 ( -0.849 0.000 9.764) 9.801 5.160 ( -7.326 0.000 -6.180) 9.585 5.470 ( 0.774 0.000 -5.381) 5.436 5.473 ( 4.009 0.000 1.299) 4.214 5.644 ( -1.221 0.000 0.157) 1.232 5.711 ( 5.778 0.000 1.652) 6.009 6.002 ( 3.819 0.000 1.544) 4.120 6.392 ( 4.570 0.000 2.009) 4.992 6.469 ( 4.730 0.000 4.352) 6.428 6.535 ( -1.954 0.000 -1.883) 2.713 6.662 ( 0.591 0.000 0.952) 1.121 7.598 ( 2.331 0.000 3.487) 4.194 8.464 ( 4.905 0.000 0.199) 4.909 8.484 ( 4.698 0.000 2.827) 5.483 8.639 ( -1.113 0.000 -1.015) 1.506 9.059 ( -9.092 0.000 -2.427) 9.410 9.627 ( 0.368 0.000 -8.242) 8.250 9.885 ( -0.549 0.000 -3.487) 3.530 10.337 ( 3.485 0.000 -4.442) 5.646 10.453 ( -1.737 0.000 1.566) 2.338 10.925 ( 0.454 0.000 -6.782) 6.797 11.341 ( -6.146 0.000 4.049) 7.360 11.472 ( 1.868 0.000 2.043) 2.769 11.618 ( 2.435 0.000 -4.216) 4.869 19.413 ( 5.769 0.000 2.537) 6.302 19.499 ( -4.025 0.000 2.295) 4.633 19.880 ( 1.417 0.000 1.207) 1.862 20.187 ( -0.639 0.000 -3.785) 3.838 20.269 ( -5.792 0.000 7.475) 9.456 20.307 ( -9.293 0.000 -3.709) 10.006 20.528 ( 3.423 0.000 -4.372) 5.553 21.242 ( 5.047 0.000 5.731) 7.637 21.731 ( 0.230 0.000 0.277) 0.360 22.158 ( -2.820 0.000 -0.289) 2.835 22.416 ( 1.203 0.000 1.803) 2.167 22.595 ( -0.646 0.000 1.910) 2.017 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 6.870 0.000 8.329) 10.797 1.893 ( 10.553 0.000 3.927) 11.260 2.041 ( 0.230 0.000 5.202) 5.207 2.123 ( 4.431 0.000 -0.727) 4.490 2.258 ( -5.289 0.000 -2.798) 5.984 2.356 ( 0.316 0.000 1.165) 1.207 2.417 ( 3.949 0.000 -3.909) 5.556 2.475 ( -0.634 0.000 0.684) 0.933 2.531 ( -0.080 0.000 8.210) 8.211 2.714 ( 0.421 0.000 2.185) 2.225 2.864 ( -3.422 0.000 -4.068) 5.316 3.190 ( 0.784 0.000 0.863) 1.166 3.213 ( 0.067 0.000 2.478) 2.479 3.317 ( 0.515 0.000 0.069) 0.520 3.389 ( 4.649 0.000 -3.858) 6.041 3.465 ( -7.423 0.000 -1.598) 7.593 3.712 ( 3.786 0.000 5.280) 6.497 3.779 ( 0.364 0.000 1.876) 1.911 4.174 ( -0.335 0.000 -1.359) 1.400 4.264 ( -0.178 0.000 -7.278) 7.281 4.549 ( 1.402 0.000 1.462) 2.026 4.583 ( -2.774 0.000 -0.994) 2.947 4.818 ( -3.864 0.000 0.292) 3.875 4.873 ( -1.506 0.000 3.291) 3.620 4.985 ( -3.303 0.000 -5.516) 6.430 5.263 ( 2.228 0.000 9.274) 9.537 5.394 ( -1.046 0.000 -7.113) 7.189 5.551 ( 2.131 0.000 2.331) 3.158 5.625 ( -0.777 0.000 -0.984) 1.254 5.800 ( 2.546 0.000 0.814) 2.673 6.056 ( 1.083 0.000 0.796) 1.344 6.450 ( 0.423 0.000 0.638) 0.765 6.506 ( 0.389 0.000 -0.587) 0.704 6.559 ( 1.528 0.000 1.734) 2.311 6.678 ( 0.622 0.000 0.015) 0.622 7.658 ( 1.030 0.000 1.419) 1.754 8.534 ( 2.893 0.000 0.124) 2.896 8.609 ( -1.390 0.000 -0.364) 1.437 8.614 ( 5.257 0.000 4.430) 6.875 8.860 ( -7.075 0.000 -5.921) 9.226 9.572 ( -0.005 0.000 -1.937) 1.937 9.855 ( 0.030 0.000 -1.160) 1.160 10.350 ( 1.433 0.000 -0.639) 1.569 10.442 ( -0.436 0.000 -0.387) 0.583 10.874 ( 0.347 0.000 -2.677) 2.699 11.294 ( -2.882 0.000 1.481) 3.240 11.509 ( 0.705 0.000 0.617) 0.936 11.610 ( 0.573 0.000 -1.178) 1.310 19.471 ( -1.334 0.000 0.623) 1.472 19.527 ( 3.765 0.000 1.589) 4.086 19.909 ( 0.615 0.000 0.499) 0.792 20.135 ( -3.332 0.000 -2.938) 4.442 20.156 ( -1.991 0.000 -0.407) 2.033 20.260 ( -2.237 0.000 2.547) 3.390 20.534 ( 1.416 0.000 -1.643) 2.169 21.352 ( 2.117 0.000 2.139) 3.010 21.735 ( 0.074 0.000 0.092) 0.118 22.118 ( -1.311 0.000 -0.242) 1.334 22.447 ( 0.455 0.000 0.791) 0.912 22.603 ( -0.131 0.000 0.607) 0.621 ======================= Grid point 9 (6/128) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 0.000 23.475 0.000) 23.475 0.480 ( 0.000 23.862 0.000) 23.862 0.943 ( 0.000 44.868 0.000) 44.868 1.868 ( 0.000 1.003 0.000) 1.003 2.112 ( 0.000 1.830 0.000) 1.830 2.185 ( 0.000 0.851 0.000) 0.851 2.334 ( 0.000 -4.462 0.000) 4.462 2.489 ( 0.000 -9.045 0.000) 9.045 2.522 ( 0.000 -0.569 0.000) 0.569 2.553 ( 0.000 -3.014 0.000) 3.014 2.860 ( 0.000 7.619 0.000) 7.619 2.899 ( 0.000 14.857 0.000) 14.857 3.102 ( 0.000 1.722 0.000) 1.722 3.257 ( 0.000 2.642 0.000) 2.642 3.424 ( 0.000 -1.182 0.000) 1.182 3.656 ( 0.000 2.511 0.000) 2.511 4.033 ( 0.000 -4.258 0.000) 4.258 4.129 ( 0.000 -1.993 0.000) 1.993 4.219 ( 0.000 -0.175 0.000) 0.175 4.323 ( 0.000 4.543 0.000) 4.543 4.435 ( 0.000 -3.034 0.000) 3.034 4.615 ( 0.000 0.721 0.000) 0.721 4.945 ( 0.000 -7.523 0.000) 7.523 4.977 ( 0.000 -2.757 0.000) 2.757 5.100 ( 0.000 -1.182 0.000) 1.182 5.101 ( 0.000 -6.065 0.000) 6.065 5.301 ( 0.000 -8.940 0.000) 8.940 5.377 ( 0.000 -5.339 0.000) 5.339 5.409 ( 0.000 -2.763 0.000) 2.763 5.693 ( 0.000 -5.143 0.000) 5.143 5.885 ( 0.000 11.187 0.000) 11.187 5.947 ( 0.000 5.059 0.000) 5.059 6.566 ( 0.000 0.566 0.000) 0.566 6.713 ( 0.000 3.212 0.000) 3.212 6.976 ( 0.000 -0.027 0.000) 0.027 7.015 ( 0.000 -2.913 0.000) 2.913 8.330 ( 0.000 1.450 0.000) 1.450 8.678 ( 0.000 -2.093 0.000) 2.093 8.962 ( 0.000 1.119 0.000) 1.119 9.016 ( 0.000 0.326 0.000) 0.326 9.823 ( 0.000 1.009 0.000) 1.009 9.945 ( 0.000 1.562 0.000) 1.562 10.359 ( 0.000 1.270 0.000) 1.270 10.420 ( 0.000 -7.882 0.000) 7.882 10.859 ( 0.000 4.831 0.000) 4.831 11.151 ( 0.000 -8.829 0.000) 8.829 11.425 ( 0.000 2.914 0.000) 2.914 11.534 ( 0.000 5.783 0.000) 5.783 19.384 ( 0.000 1.391 0.000) 1.391 19.730 ( 0.000 3.438 0.000) 3.438 19.755 ( 0.000 -3.157 0.000) 3.157 20.229 ( 0.000 -1.611 0.000) 1.611 20.442 ( 0.000 1.880 0.000) 1.880 20.710 ( 0.000 1.212 0.000) 1.212 20.790 ( 0.000 3.561 0.000) 3.561 20.796 ( 0.000 0.533 0.000) 0.533 21.689 ( 0.000 -1.771 0.000) 1.771 22.014 ( 0.000 -8.038 0.000) 8.038 22.386 ( 0.000 7.812 0.000) 7.812 23.068 ( 0.000 -2.895 0.000) 2.895 ======================= Grid point 10 (7/128) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 15.687 16.719 3.982) 23.269 0.746 ( 8.763 15.338 23.965) 29.772 1.162 ( 13.541 35.718 13.457) 40.500 1.856 ( -2.099 1.010 3.300) 4.039 2.063 ( 0.392 -2.640 -5.058) 5.719 2.261 ( 1.239 4.554 7.153) 8.570 2.431 ( 2.972 -5.956 0.915) 6.719 2.492 ( 1.475 3.424 5.772) 6.871 2.509 ( 2.554 -8.427 0.926) 8.854 2.589 ( 3.216 -1.604 0.713) 3.664 2.830 ( -4.576 7.086 1.304) 8.536 2.932 ( 2.490 10.608 -0.198) 10.898 3.066 ( 1.440 4.342 5.800) 7.387 3.304 ( 5.273 1.465 -11.734) 12.948 3.457 ( -5.665 -1.806 -2.362) 6.398 3.591 ( 4.014 1.863 -1.977) 4.847 3.984 ( -2.019 -5.148 -4.167) 6.924 4.060 ( -4.185 -2.407 -3.688) 6.075 4.185 ( -3.530 -1.077 1.891) 4.147 4.316 ( 0.713 2.724 -1.927) 3.412 4.458 ( 3.839 -1.595 -1.457) 4.405 4.612 ( 4.190 3.360 1.688) 5.630 4.916 ( -5.845 -2.537 1.548) 6.557 4.992 ( -9.589 -3.622 1.925) 10.429 5.128 ( 6.347 -12.535 -0.543) 14.060 5.190 ( 3.261 -3.319 1.499) 4.888 5.265 ( -3.848 -5.724 1.332) 7.025 5.373 ( 2.677 -10.450 1.315) 10.868 5.494 ( 4.452 -2.971 1.052) 5.455 5.752 ( 4.027 -4.972 2.327) 6.809 5.845 ( -2.967 10.380 1.431) 10.890 6.051 ( 6.733 1.749 2.836) 7.513 6.557 ( -1.734 1.136 0.247) 2.088 6.669 ( -1.597 12.558 -8.587) 15.297 6.745 ( -2.582 8.415 -0.305) 8.808 7.256 ( 4.649 -11.928 9.006) 15.652 8.332 ( 0.393 1.541 -0.153) 1.597 8.560 ( -2.808 11.996 -10.403) 16.125 8.687 ( -2.877 0.932 1.078) 3.210 9.186 ( -10.368 -3.741 16.921) 20.194 9.805 ( 1.245 0.738 -4.586) 4.809 10.055 ( 8.306 -5.077 -14.932) 17.825 10.340 ( 4.052 0.280 -3.729) 5.514 10.495 ( -1.162 -2.853 3.488) 4.654 10.902 ( 5.105 -7.089 -3.310) 9.342 11.249 ( 6.294 -12.238 0.408) 13.768 11.429 ( 0.677 5.685 2.498) 6.246 11.566 ( 2.438 2.001 0.225) 3.162 19.319 ( -1.513 3.914 -4.140) 5.894 19.642 ( -11.906 3.497 9.807) 15.817 19.797 ( 3.145 -2.117 -1.991) 4.282 20.218 ( -3.005 -2.483 1.449) 4.159 20.406 ( -2.636 3.177 -0.678) 4.183 20.552 ( -8.620 2.169 -2.286) 9.178 20.746 ( 0.753 6.163 -5.183) 8.088 20.911 ( 3.999 1.772 6.995) 8.250 21.679 ( -0.400 -2.185 0.131) 2.226 22.074 ( 1.749 -10.036 3.315) 10.713 22.416 ( 1.534 7.004 1.588) 7.344 22.835 ( -13.251 10.274 -2.369) 16.934 ======================= Grid point 11 (8/128) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 17.882 9.426 8.644) 21.985 1.198 ( 12.205 9.542 21.352) 26.380 1.599 ( 14.913 23.911 17.677) 33.266 1.902 ( 0.409 -3.527 5.851) 6.844 2.042 ( 4.266 -1.451 -3.550) 5.736 2.347 ( -1.979 1.013 7.901) 8.207 2.439 ( 0.093 5.040 1.707) 5.321 2.551 ( 6.308 2.028 -8.100) 10.465 2.643 ( 6.009 -5.606 3.007) 8.751 2.727 ( 1.909 0.232 7.192) 7.444 2.771 ( -4.527 0.122 7.377) 8.657 2.981 ( 3.013 6.609 -0.122) 7.265 3.152 ( -0.578 0.772 2.652) 2.822 3.250 ( -3.548 2.651 -3.800) 5.836 3.364 ( 7.873 2.657 0.867) 8.354 3.605 ( -1.609 6.866 -2.107) 7.360 3.861 ( -2.927 -4.563 -10.688) 11.984 3.933 ( -5.624 -1.892 -4.888) 7.688 4.182 ( -0.465 -6.527 4.012) 7.676 4.305 ( 1.679 -0.543 -2.716) 3.239 4.490 ( 1.914 -1.039 -3.911) 4.476 4.725 ( 4.213 -1.350 2.962) 5.324 4.839 ( -7.539 -3.525 3.023) 8.854 4.864 ( -7.156 -1.867 3.464) 8.167 5.060 ( -7.715 -5.707 -1.252) 9.678 5.269 ( 5.520 -7.034 -1.615) 9.086 5.281 ( -0.167 -4.749 1.086) 4.874 5.436 ( 4.218 -8.231 0.768) 9.281 5.550 ( 1.928 -0.752 -0.043) 2.070 5.821 ( -0.434 2.536 1.801) 3.140 5.859 ( 3.438 2.118 1.855) 4.444 6.198 ( 5.929 -2.513 3.916) 7.537 6.528 ( 0.107 9.889 -1.531) 10.007 6.584 ( -1.861 3.290 -1.370) 4.021 6.758 ( 1.217 8.717 1.555) 8.937 7.409 ( 3.823 -8.939 6.181) 11.521 8.353 ( 2.206 0.425 0.511) 2.304 8.517 ( 3.572 7.800 -2.108) 8.834 8.659 ( -1.480 -0.500 -0.338) 1.598 9.166 ( -8.362 -2.029 6.727) 10.922 9.745 ( 1.701 1.049 -10.228) 10.421 9.947 ( -0.728 -2.345 -8.820) 9.155 10.360 ( 4.396 2.189 -5.891) 7.669 10.477 ( -3.223 0.398 2.584) 4.150 10.901 ( 1.771 -7.743 -6.004) 9.957 11.297 ( 1.144 -8.060 -0.773) 8.177 11.494 ( -0.844 5.648 6.382) 8.565 11.600 ( 3.522 -0.297 -2.792) 4.504 19.296 ( 1.125 -0.062 0.599) 1.276 19.576 ( -7.558 2.832 5.934) 10.017 19.822 ( 2.618 -3.526 -1.609) 4.677 20.165 ( -3.977 -3.822 0.298) 5.524 20.352 ( -8.963 1.984 5.478) 10.691 20.414 ( -2.372 0.538 -5.434) 5.954 20.695 ( 1.975 8.745 -6.429) 11.032 21.081 ( 5.639 1.047 7.469) 9.417 21.680 ( 0.008 -2.876 0.339) 2.895 22.126 ( 0.727 -8.093 2.701) 8.563 22.439 ( -0.870 7.006 0.361) 7.069 22.687 ( -4.803 7.092 1.320) 8.666 ======================= Grid point 12 (9/128) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 14.965 5.499 9.089) 18.352 1.616 ( 12.407 5.208 14.098) 19.488 1.926 ( 2.165 -0.595 5.394) 5.843 2.038 ( 9.822 9.111 8.477) 15.854 2.152 ( 7.244 1.235 5.940) 9.449 2.397 ( -0.694 -1.978 4.957) 5.382 2.453 ( -2.825 4.012 1.470) 5.122 2.541 ( 4.655 7.421 -7.995) 11.860 2.639 ( -4.323 4.392 -1.025) 6.247 2.748 ( -2.593 3.466 2.606) 5.053 2.863 ( 0.697 -3.722 2.801) 4.710 3.043 ( 3.993 -4.961 1.678) 6.586 3.167 ( -1.965 0.646 3.125) 3.748 3.263 ( 5.003 4.618 5.678) 8.866 3.528 ( -5.240 6.300 -0.324) 8.201 3.580 ( 9.498 1.650 4.660) 10.707 3.684 ( -3.401 2.709 -8.668) 9.697 3.776 ( -4.561 -0.936 -3.135) 5.613 4.195 ( 0.343 -1.543 -2.256) 2.755 4.309 ( 2.312 -7.395 -6.500) 10.113 4.454 ( -0.443 -1.211 0.544) 1.400 4.683 ( -6.213 0.104 -2.425) 6.670 4.823 ( -4.904 -3.661 4.078) 7.354 4.846 ( -0.068 -9.258 3.348) 9.845 4.913 ( -6.361 -5.561 -2.904) 8.935 5.251 ( -1.774 -3.581 0.411) 4.017 5.338 ( 2.535 -2.527 0.710) 3.650 5.514 ( 3.860 -5.523 -1.145) 6.834 5.585 ( 2.336 1.977 1.054) 3.237 5.840 ( 1.021 -1.390 1.309) 2.165 5.929 ( 1.965 1.780 1.652) 3.124 6.323 ( 3.875 -5.449 3.027) 7.340 6.510 ( -0.763 6.922 -0.916) 7.024 6.568 ( 0.134 0.921 0.333) 0.989 6.806 ( 2.190 10.521 1.369) 10.834 7.530 ( 3.099 -6.285 4.449) 8.301 8.412 ( 3.327 -1.681 1.288) 3.944 8.576 ( 4.477 4.722 -0.321) 6.515 8.632 ( -1.212 0.324 0.040) 1.255 9.065 ( -7.733 0.256 -1.196) 7.829 9.642 ( 0.394 1.556 -8.282) 8.436 9.869 ( -0.460 -1.422 -3.284) 3.609 10.348 ( 1.783 0.736 -4.069) 4.503 10.475 ( -0.006 2.641 1.115) 2.867 10.845 ( 0.590 -6.728 -5.817) 8.913 11.288 ( -2.412 -5.029 1.252) 5.716 11.537 ( -0.652 5.030 3.482) 6.152 11.619 ( 2.156 0.353 -1.987) 2.953 19.352 ( 3.300 -4.433 1.606) 5.755 19.533 ( -4.431 2.907 4.010) 6.645 19.846 ( 2.976 -6.675 -2.306) 7.663 20.107 ( -3.298 -3.677 0.103) 4.940 20.205 ( -10.111 -2.239 -0.442) 10.365 20.364 ( -1.956 3.842 0.575) 4.349 20.670 ( 2.795 9.967 -4.772) 11.399 21.250 ( 5.017 0.565 5.468) 7.443 21.683 ( -0.012 -3.207 0.142) 3.210 22.171 ( 1.101 -4.305 2.533) 5.115 22.393 ( -3.604 3.912 -1.058) 5.424 22.674 ( -0.367 5.012 1.992) 5.406 ======================= Grid point 13 (10/128) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 6.057 -0.137 3.678) 7.087 1.896 ( 6.194 0.104 5.314) 8.162 2.038 ( 5.737 -0.536 7.152) 9.184 2.186 ( 3.853 9.479 -2.260) 10.479 2.291 ( -9.859 1.439 -5.332) 11.300 2.351 ( 3.818 1.051 5.446) 6.734 2.444 ( 0.834 0.176 2.067) 2.235 2.548 ( 1.791 10.332 -3.478) 11.047 2.638 ( 1.416 6.662 5.622) 8.831 2.751 ( -1.303 0.139 3.206) 3.464 2.816 ( -2.551 -0.505 -3.581) 4.425 3.059 ( -2.076 -8.206 -1.215) 8.551 3.237 ( 3.881 2.782 1.055) 4.890 3.374 ( 1.617 3.590 1.960) 4.398 3.441 ( -3.573 1.444 0.127) 3.856 3.563 ( -1.407 9.528 -3.359) 10.200 3.732 ( 3.568 2.067 4.666) 6.227 3.784 ( 0.798 0.372 2.105) 2.281 4.179 ( 0.380 0.413 -0.359) 0.666 4.220 ( 0.131 -4.010 -7.594) 8.589 4.503 ( 1.210 -3.701 3.920) 5.525 4.570 ( -2.339 -1.869 -3.581) 4.668 4.718 ( -6.484 -9.821 -1.179) 11.827 4.850 ( -1.755 -2.086 1.741) 3.234 4.852 ( 0.304 -8.509 -1.516) 8.648 5.259 ( -0.112 -4.504 2.253) 5.037 5.365 ( 0.716 -0.231 -0.581) 0.951 5.540 ( 0.975 -2.166 -0.299) 2.394 5.627 ( 1.104 2.600 0.158) 2.829 5.879 ( 1.613 -11.563 0.575) 11.689 5.958 ( -0.021 7.363 0.803) 7.407 6.386 ( 0.881 -6.522 1.003) 6.657 6.498 ( 0.023 3.790 -0.111) 3.791 6.573 ( 0.022 0.490 0.059) 0.494 6.849 ( 1.222 11.398 0.536) 11.476 7.605 ( 1.238 -5.038 1.727) 5.467 8.475 ( 2.069 -3.646 0.852) 4.278 8.596 ( -0.470 -1.043 -0.604) 1.294 8.674 ( 3.216 4.554 2.233) 6.006 8.913 ( -5.233 4.037 -3.743) 7.596 9.586 ( 0.038 1.392 -2.199) 2.603 9.842 ( 0.013 -1.305 -1.111) 1.714 10.338 ( 0.470 -0.984 -0.730) 1.313 10.485 ( 0.490 4.164 -0.456) 4.217 10.803 ( 0.356 -6.167 -2.307) 6.594 11.260 ( -1.785 -3.345 0.767) 3.868 11.558 ( 0.053 4.026 0.828) 4.110 11.626 ( 0.506 1.282 -0.480) 1.459 19.409 ( 1.536 -6.151 0.270) 6.345 19.533 ( -0.673 2.359 2.672) 3.627 19.864 ( 2.557 -13.762 -2.412) 14.203 20.030 ( -6.099 4.292 0.851) 7.507 20.095 ( -1.270 -4.840 -0.836) 5.073 20.346 ( -0.963 3.886 0.552) 4.042 20.667 ( 1.194 10.330 -1.637) 10.527 21.356 ( 2.083 0.246 2.024) 2.915 21.683 ( -0.046 -3.386 -0.010) 3.386 22.223 ( 1.787 4.032 1.971) 4.831 22.318 ( -3.050 -4.788 -1.481) 5.867 22.693 ( 0.193 5.006 0.823) 5.076 ======================= Grid point 18 (11/128) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 22.019 0.000) 22.019 0.942 ( 0.000 22.530 0.000) 22.530 1.664 ( 0.000 21.336 0.000) 21.336 1.880 ( 0.000 1.093 0.000) 1.093 2.061 ( 0.000 -10.556 0.000) 10.556 2.218 ( 0.000 -8.664 0.000) 8.664 2.291 ( 0.000 8.613 0.000) 8.613 2.316 ( 0.000 3.665 0.000) 3.665 2.559 ( 0.000 3.921 0.000) 3.921 2.564 ( 0.000 2.820 0.000) 2.820 3.027 ( 0.000 2.537 0.000) 2.537 3.105 ( 0.000 4.961 0.000) 4.961 3.185 ( 0.000 12.126 0.000) 12.126 3.364 ( 0.000 6.007 0.000) 6.007 3.374 ( 0.000 -2.556 0.000) 2.556 3.709 ( 0.000 2.993 0.000) 2.993 3.983 ( 0.000 -1.647 0.000) 1.647 4.101 ( 0.000 0.121 0.000) 0.121 4.198 ( 0.000 -0.890 0.000) 0.890 4.356 ( 0.000 -4.776 0.000) 4.776 4.373 ( 0.000 0.340 0.000) 0.340 4.662 ( 0.000 3.164 0.000) 3.164 4.694 ( 0.000 -16.951 0.000) 16.951 4.848 ( 0.000 -9.230 0.000) 9.230 4.974 ( 0.000 -5.487 0.000) 5.487 5.091 ( 0.000 -0.988 0.000) 0.988 5.182 ( 0.000 -1.665 0.000) 1.665 5.289 ( 0.000 -3.201 0.000) 3.201 5.339 ( 0.000 -3.875 0.000) 3.875 5.554 ( 0.000 -8.334 0.000) 8.334 6.061 ( 0.000 5.714 0.000) 5.714 6.075 ( 0.000 7.375 0.000) 7.375 6.594 ( 0.000 2.362 0.000) 2.362 6.773 ( 0.000 1.651 0.000) 1.651 6.948 ( 0.000 -2.816 0.000) 2.816 6.971 ( 0.000 -0.445 0.000) 0.445 8.374 ( 0.000 3.006 0.000) 3.006 8.619 ( 0.000 -3.726 0.000) 3.726 8.988 ( 0.000 1.334 0.000) 1.334 9.021 ( 0.000 0.159 0.000) 0.159 9.854 ( 0.000 2.170 0.000) 2.170 9.978 ( 0.000 1.195 0.000) 1.195 10.287 ( 0.000 -4.485 0.000) 4.485 10.375 ( 0.000 -0.237 0.000) 0.237 10.918 ( 0.000 1.046 0.000) 1.046 10.991 ( 0.000 -6.413 0.000) 6.413 11.506 ( 0.000 4.856 0.000) 4.856 11.622 ( 0.000 2.839 0.000) 2.839 19.425 ( 0.000 2.663 0.000) 2.663 19.673 ( 0.000 -4.840 0.000) 4.840 19.827 ( 0.000 6.138 0.000) 6.138 20.190 ( 0.000 -2.890 0.000) 2.890 20.475 ( 0.000 1.942 0.000) 1.942 20.694 ( 0.000 -2.761 0.000) 2.761 20.852 ( 0.000 4.610 0.000) 4.610 20.886 ( 0.000 5.285 0.000) 5.285 21.647 ( 0.000 -1.996 0.000) 1.996 21.851 ( 0.000 -8.077 0.000) 8.077 22.547 ( 0.000 8.229 0.000) 8.229 22.985 ( 0.000 -5.361 0.000) 5.361 ======================= Grid point 19 (12/128) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 10.478 19.809 0.024) 22.410 1.094 ( 5.386 18.575 16.349) 25.325 1.774 ( 5.538 15.848 8.084) 18.633 1.873 ( -0.704 2.484 1.434) 2.954 2.035 ( 0.145 -2.032 -2.098) 2.925 2.258 ( -1.138 -2.368 1.247) 2.908 2.293 ( 3.917 -8.927 6.695) 11.826 2.450 ( 4.518 8.810 8.869) 13.293 2.576 ( 3.753 1.662 -4.072) 5.782 2.602 ( 2.464 5.652 4.159) 7.437 3.055 ( -1.740 0.515 3.153) 3.638 3.060 ( -5.999 12.003 -0.364) 13.423 3.122 ( 1.514 6.192 0.762) 6.420 3.367 ( 0.167 0.558 -1.042) 1.194 3.439 ( 0.145 0.984 -2.976) 3.138 3.644 ( -0.191 3.880 -0.544) 3.923 3.939 ( -4.678 -0.535 -1.283) 4.880 4.023 ( -3.314 0.465 -4.143) 5.326 4.167 ( -2.244 -0.883 -3.083) 3.914 4.338 ( 1.458 -0.806 -3.604) 3.970 4.408 ( 2.069 -3.333 -1.199) 4.102 4.579 ( -1.729 -8.891 0.845) 9.097 4.786 ( -0.330 -9.017 0.406) 9.032 4.899 ( -0.135 -8.210 1.689) 8.383 4.933 ( 2.440 -1.868 0.189) 3.078 5.124 ( -1.927 -4.221 0.141) 4.643 5.197 ( 0.666 -0.332 0.683) 1.010 5.226 ( 1.412 -3.765 0.003) 4.021 5.425 ( 3.696 -3.940 2.915) 6.139 5.610 ( 3.627 -8.395 2.245) 9.417 6.034 ( -3.007 7.634 2.225) 8.502 6.113 ( 2.571 3.478 0.965) 4.431 6.585 ( -1.249 2.658 1.379) 3.244 6.818 ( 4.639 4.136 -3.319) 7.046 6.891 ( -2.330 4.212 -1.289) 4.983 7.057 ( 2.678 -7.353 7.939) 11.148 8.377 ( 0.107 3.018 0.259) 3.031 8.604 ( 0.718 -2.722 -3.193) 4.257 8.815 ( -5.803 7.760 -4.711) 10.775 9.109 ( -3.958 -3.817 8.621) 10.225 9.828 ( 0.315 1.628 -3.830) 4.174 9.982 ( 2.897 -2.817 -8.678) 9.572 10.328 ( 6.822 -0.709 -1.234) 6.969 10.449 ( 1.118 -1.281 5.954) 6.192 10.845 ( -0.872 -0.780 -6.093) 6.204 11.038 ( 3.939 -8.592 -1.034) 9.508 11.530 ( 0.176 4.766 3.644) 6.002 11.628 ( -0.972 2.692 2.178) 3.597 19.385 ( -2.345 3.281 -2.668) 4.835 19.659 ( -5.420 -3.820 5.171) 8.410 19.791 ( -1.426 4.330 -2.837) 5.370 20.161 ( -3.096 -3.799 -0.688) 4.949 20.459 ( -3.208 2.577 2.083) 4.612 20.591 ( -6.643 0.905 -3.889) 7.750 20.858 ( 3.798 5.484 -5.186) 8.449 20.954 ( 4.643 2.540 3.726) 6.472 21.641 ( -0.638 -1.400 0.393) 1.588 21.886 ( 1.581 -8.921 2.462) 9.389 22.563 ( 0.562 7.526 1.590) 7.712 22.906 ( -6.694 -1.251 -1.611) 6.998 ======================= Grid point 20 (13/128) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 16.264 14.337 1.273) 21.718 1.425 ( 6.936 12.677 20.034) 24.702 1.829 ( 0.076 -3.274 -1.422) 3.571 2.024 ( 5.267 7.075 8.274) 12.094 2.108 ( 7.161 10.765 7.531) 14.963 2.275 ( -1.377 -4.181 5.164) 6.785 2.439 ( 3.270 -5.456 4.853) 8.000 2.583 ( 3.419 0.709 -3.072) 4.651 2.646 ( 6.518 7.980 6.823) 12.359 2.727 ( 3.566 2.948 7.253) 8.603 2.938 ( -5.713 10.791 -0.021) 12.209 3.109 ( 3.662 6.261 -0.264) 7.258 3.155 ( -5.026 1.181 2.801) 5.874 3.286 ( -5.512 2.894 3.698) 7.241 3.432 ( 5.455 1.934 0.734) 5.834 3.657 ( -0.142 -4.080 -4.560) 6.121 3.829 ( -5.665 0.293 -1.664) 5.912 3.938 ( -0.837 5.968 -6.453) 8.829 4.089 ( -0.932 -2.430 -0.463) 2.644 4.295 ( 1.028 -1.390 -7.428) 7.626 4.431 ( 1.385 -4.962 -0.081) 5.152 4.576 ( -1.744 -13.505 1.725) 13.726 4.766 ( -1.979 -3.681 0.606) 4.223 4.822 ( -6.745 -1.835 0.242) 6.995 4.974 ( -3.701 -2.852 -1.969) 5.070 5.090 ( 3.831 -6.351 -0.524) 7.435 5.258 ( 3.593 -1.489 1.045) 4.027 5.288 ( 3.871 -4.878 1.274) 6.357 5.507 ( 2.477 -3.258 2.289) 4.690 5.678 ( 1.112 -8.917 1.558) 9.120 6.031 ( -0.717 7.484 2.818) 8.029 6.177 ( 2.473 -0.084 2.594) 3.585 6.591 ( -0.614 2.937 1.778) 3.488 6.756 ( -2.843 6.321 -5.406) 8.790 6.920 ( 2.526 6.911 2.379) 7.733 7.223 ( 5.260 -8.516 7.644) 12.594 8.385 ( 0.584 2.619 0.376) 2.710 8.584 ( 1.377 -1.756 -2.811) 3.589 8.729 ( -1.669 7.772 -0.380) 7.958 9.107 ( -5.012 -3.902 4.337) 7.691 9.772 ( 1.037 1.583 -8.070) 8.289 9.896 ( -0.476 -2.615 -6.735) 7.241 10.404 ( 3.599 2.089 -3.883) 5.691 10.498 ( 0.281 1.533 2.894) 3.287 10.775 ( 0.490 -4.045 -6.063) 7.305 11.097 ( 4.686 -10.771 -1.154) 11.803 11.585 ( -0.547 3.604 5.514) 6.610 11.635 ( -0.924 2.556 1.517) 3.112 19.315 ( -2.678 2.106 -0.994) 3.549 19.617 ( -8.256 -2.171 7.389) 11.290 19.737 ( 1.253 -0.305 -6.040) 6.176 20.085 ( -4.103 -4.923 -1.071) 6.497 20.392 ( -9.464 2.837 2.243) 10.131 20.462 ( -1.592 2.111 -3.906) 4.717 20.859 ( 4.763 7.972 -6.202) 11.167 21.101 ( 5.824 0.646 5.541) 8.065 21.640 ( -0.342 -0.808 0.746) 1.152 21.942 ( 1.525 -9.633 2.628) 10.101 22.584 ( -0.926 6.838 1.251) 7.013 22.785 ( -5.418 2.204 -0.191) 5.852 ======================= Grid point 21 (14/128) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 14.403 8.221 -0.088) 16.584 1.735 ( 4.687 6.452 14.172) 16.262 1.854 ( 4.086 -2.769 2.199) 5.404 2.178 ( 5.933 1.777 3.876) 7.306 2.333 ( 2.160 -4.978 4.608) 7.119 2.354 ( 4.403 13.715 10.259) 17.684 2.478 ( -2.153 -1.643 4.040) 4.864 2.630 ( 6.213 4.463 -5.013) 9.146 2.765 ( 0.217 7.142 2.841) 7.689 2.822 ( -2.403 0.486 2.181) 3.281 2.872 ( -2.521 5.722 1.347) 6.396 3.025 ( -5.856 2.872 1.320) 6.655 3.228 ( 6.217 7.726 3.924) 10.665 3.346 ( 1.355 4.028 6.134) 7.463 3.541 ( -1.598 -1.505 -1.879) 2.890 3.610 ( 4.234 -0.063 5.652) 7.062 3.729 ( -4.056 -3.276 -0.080) 5.215 3.825 ( -1.522 6.720 -5.392) 8.749 4.130 ( 3.383 -7.399 -4.004) 9.068 4.221 ( 2.042 2.955 -5.249) 6.361 4.433 ( -1.077 -0.622 0.298) 1.279 4.558 ( -1.910 -16.726 -0.044) 16.835 4.678 ( -5.922 -1.074 -5.027) 7.842 4.735 ( -4.388 -4.501 0.950) 6.357 4.875 ( -4.199 -0.519 -0.969) 4.341 5.136 ( 0.955 -3.750 0.713) 3.935 5.328 ( 2.377 -0.868 0.777) 2.647 5.382 ( 6.970 -8.979 0.204) 11.369 5.558 ( 0.865 -2.824 1.579) 3.349 5.681 ( -1.894 -8.681 0.959) 8.937 6.069 ( 1.172 6.457 2.238) 6.933 6.245 ( 1.702 -2.529 2.641) 4.033 6.593 ( -0.777 2.318 0.314) 2.465 6.652 ( -3.059 5.617 -3.134) 7.122 6.994 ( 2.829 7.953 2.230) 8.731 7.382 ( 4.222 -7.739 5.501) 10.392 8.407 ( 1.261 1.168 0.606) 1.822 8.575 ( 0.370 -2.384 -1.454) 2.817 8.734 ( 1.566 7.297 0.849) 7.511 9.052 ( -4.790 -1.791 0.438) 5.133 9.685 ( 0.311 2.556 -7.405) 7.840 9.833 ( -0.285 -2.091 -3.118) 3.765 10.368 ( -0.705 1.672 -3.461) 3.908 10.551 ( 2.611 3.427 0.214) 4.314 10.716 ( 0.617 -4.370 -4.884) 6.582 11.148 ( 1.868 -8.754 0.067) 8.952 11.627 ( -2.243 3.317 4.937) 6.356 11.638 ( 0.873 1.593 -0.290) 1.839 19.285 ( -0.589 -1.628 0.412) 1.780 19.571 ( -8.093 -3.839 8.171) 12.124 19.683 ( 2.161 -2.406 -8.181) 8.797 20.016 ( -2.744 -5.703 -0.745) 6.372 20.251 ( -7.107 4.751 -0.820) 8.588 20.414 ( -1.678 0.922 -0.813) 2.080 20.873 ( 3.751 10.359 -3.742) 11.635 21.253 ( 4.998 -0.615 4.301) 6.623 21.643 ( -0.221 -0.418 0.505) 0.692 21.998 ( 1.770 -10.475 2.344) 10.879 22.540 ( -4.247 8.042 -0.599) 9.114 22.745 ( -0.953 1.878 1.559) 2.620 ======================= Grid point 22 (15/128) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 3.748 2.396 -0.988) 4.557 1.894 ( 2.778 -0.595 3.259) 4.324 2.020 ( 7.296 -0.291 5.355) 9.055 2.257 ( -1.491 -2.021 -0.007) 2.512 2.375 ( -2.543 0.772 2.212) 3.458 2.477 ( 6.416 5.050 3.406) 8.847 2.529 ( -0.187 14.368 1.123) 14.413 2.646 ( -1.691 -1.439 -0.569) 2.292 2.754 ( 1.914 7.354 -4.672) 8.921 2.788 ( -1.496 6.216 5.283) 8.294 2.876 ( 1.099 -0.235 0.133) 1.131 2.948 ( -6.125 0.658 -0.090) 6.161 3.346 ( 2.471 8.206 0.471) 8.582 3.421 ( 1.375 1.634 3.202) 3.848 3.478 ( -2.057 2.292 -1.144) 3.285 3.703 ( 1.003 2.639 3.087) 4.184 3.779 ( 2.458 -1.092 2.894) 3.951 3.814 ( 1.072 6.032 2.971) 6.809 4.052 ( 0.050 -10.192 -7.289) 12.531 4.270 ( 3.780 6.052 0.049) 7.136 4.424 ( -1.338 -3.723 2.045) 4.453 4.491 ( -3.196 -10.723 -3.877) 11.842 4.528 ( -3.740 -2.243 -3.346) 5.497 4.678 ( -1.836 -8.801 -0.246) 8.994 4.830 ( -1.170 0.711 0.161) 1.379 5.153 ( 0.116 -3.712 0.837) 3.807 5.354 ( 0.538 -1.791 0.096) 1.873 5.495 ( 6.002 -9.510 -0.445) 11.254 5.562 ( -2.493 -3.731 0.971) 4.591 5.661 ( -1.104 -6.956 0.517) 7.062 6.106 ( 0.768 5.629 0.820) 5.740 6.286 ( 0.423 -3.629 1.093) 3.814 6.576 ( -0.420 3.304 -0.889) 3.447 6.596 ( -1.221 2.207 -0.382) 2.551 7.050 ( 1.270 8.530 0.922) 8.674 7.478 ( 1.587 -7.246 2.094) 7.708 8.432 ( 0.717 -0.399 0.321) 0.881 8.565 ( -0.053 -2.129 -0.463) 2.179 8.780 ( 1.758 5.919 1.122) 6.276 8.975 ( -2.855 1.648 -1.231) 3.519 9.629 ( 0.046 2.902 -2.433) 3.787 9.807 ( -0.013 -2.141 -1.100) 2.407 10.331 ( -0.370 0.678 -1.116) 1.357 10.569 ( 0.592 0.825 -0.957) 1.395 10.696 ( 1.020 -0.765 -1.330) 1.842 11.162 ( -0.022 -6.573 0.214) 6.577 11.633 ( -0.249 3.037 0.532) 3.094 11.651 ( -0.241 1.206 0.989) 1.578 19.294 ( 0.565 -4.503 0.223) 4.544 19.548 ( -4.961 -11.237 6.433) 13.866 19.625 ( 2.022 2.313 -6.595) 7.275 19.980 ( -0.897 -6.001 -0.272) 6.074 20.162 ( -2.564 6.540 -0.379) 7.035 20.387 ( -0.680 0.160 -0.249) 0.742 20.888 ( 1.371 11.608 -1.160) 11.746 21.349 ( 1.987 -1.433 1.578) 2.914 21.644 ( -0.102 -0.148 0.146) 0.231 22.047 ( 1.158 -11.997 1.138) 12.106 22.470 ( -2.441 9.975 -0.562) 10.285 22.756 ( 0.028 1.204 0.769) 1.429 ======================= Grid point 27 (16/128) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 19.357 0.000) 19.357 1.373 ( 0.000 20.742 0.000) 20.742 1.676 ( 0.000 -13.070 0.000) 13.070 1.760 ( 0.000 -17.974 0.000) 17.974 1.937 ( 0.000 4.669 0.000) 4.669 2.051 ( 0.000 -6.586 0.000) 6.586 2.446 ( 0.000 5.364 0.000) 5.364 2.487 ( 0.000 2.003 0.000) 2.003 2.683 ( 0.000 8.342 0.000) 8.342 2.739 ( 0.000 11.221 0.000) 11.221 2.985 ( 0.000 -0.316 0.000) 0.316 3.120 ( 0.000 -4.271 0.000) 4.271 3.309 ( 0.000 0.691 0.000) 0.691 3.367 ( 0.000 -4.514 0.000) 4.514 3.594 ( 0.000 20.230 0.000) 20.230 3.776 ( 0.000 1.827 0.000) 1.827 3.952 ( 0.000 0.024 0.000) 0.024 4.110 ( 0.000 -6.124 0.000) 6.124 4.206 ( 0.000 1.206 0.000) 1.206 4.226 ( 0.000 -5.875 0.000) 5.875 4.352 ( 0.000 -1.859 0.000) 1.859 4.382 ( 0.000 -8.482 0.000) 8.482 4.681 ( 0.000 -1.147 0.000) 1.147 4.698 ( 0.000 -4.355 0.000) 4.355 4.942 ( 0.000 2.592 0.000) 2.592 5.025 ( 0.000 -4.641 0.000) 4.641 5.218 ( 0.000 2.984 0.000) 2.984 5.269 ( 0.000 -2.934 0.000) 2.934 5.272 ( 0.000 2.377 0.000) 2.377 5.386 ( 0.000 -7.875 0.000) 7.875 6.152 ( 0.000 3.036 0.000) 3.036 6.167 ( 0.000 1.839 0.000) 1.839 6.658 ( 0.000 3.983 0.000) 3.983 6.743 ( 0.000 -3.967 0.000) 3.967 6.937 ( 0.000 1.055 0.000) 1.055 6.958 ( 0.000 -0.881 0.000) 0.881 8.447 ( 0.000 4.201 0.000) 4.201 8.535 ( 0.000 -4.507 0.000) 4.507 9.010 ( 0.000 0.832 0.000) 0.832 9.020 ( 0.000 -0.258 0.000) 0.258 9.908 ( 0.000 3.076 0.000) 3.076 9.967 ( 0.000 -2.348 0.000) 2.348 10.268 ( 0.000 2.293 0.000) 2.293 10.337 ( 0.000 -3.461 0.000) 3.461 10.915 ( 0.000 -1.386 0.000) 1.386 10.915 ( 0.000 -0.725 0.000) 0.725 11.596 ( 0.000 3.753 0.000) 3.753 11.643 ( 0.000 -0.720 0.000) 0.720 19.489 ( 0.000 3.826 0.000) 3.826 19.575 ( 0.000 -4.747 0.000) 4.747 19.964 ( 0.000 7.241 0.000) 7.241 20.100 ( 0.000 -6.049 0.000) 6.049 20.534 ( 0.000 3.969 0.000) 3.969 20.620 ( 0.000 -4.337 0.000) 4.337 20.941 ( 0.000 3.520 0.000) 3.520 20.963 ( 0.000 1.686 0.000) 1.686 21.633 ( 0.000 1.238 0.000) 1.238 21.707 ( 0.000 -5.945 0.000) 5.945 22.709 ( 0.000 7.999 0.000) 7.999 22.860 ( 0.000 -7.091 0.000) 7.091 ======================= Grid point 28 (17/128) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.550 17.843 -0.830) 19.025 1.458 ( 4.200 17.571 9.179) 20.264 1.710 ( 2.489 -11.314 -0.290) 11.588 1.808 ( 4.317 -15.625 3.891) 16.671 1.995 ( 2.750 4.990 5.270) 7.761 2.122 ( 3.551 -7.624 6.276) 10.494 2.410 ( -5.582 8.804 6.110) 12.083 2.519 ( -0.298 -2.501 3.323) 4.169 2.734 ( 5.118 7.748 0.234) 9.289 2.775 ( 3.755 10.058 0.581) 10.751 3.013 ( -0.096 -0.071 3.500) 3.502 3.109 ( -1.012 -2.602 -0.035) 2.792 3.319 ( 2.515 1.388 -1.717) 3.346 3.342 ( -1.255 -1.610 -0.043) 2.041 3.570 ( -5.364 16.058 2.227) 17.076 3.713 ( -6.661 1.840 0.163) 6.912 3.912 ( -5.139 -0.150 0.035) 5.141 4.084 ( -0.454 -5.524 -1.626) 5.776 4.138 ( 0.401 1.431 -5.029) 5.244 4.236 ( -3.358 -10.903 -3.898) 12.056 4.323 ( 0.382 -0.208 -4.771) 4.791 4.377 ( 1.747 -4.520 1.303) 5.019 4.688 ( 2.562 -0.927 -0.387) 2.752 4.745 ( 3.764 -6.200 0.466) 7.268 4.961 ( -0.108 3.183 0.937) 3.320 5.036 ( -2.528 -4.201 0.820) 4.971 5.205 ( 0.802 0.850 -1.813) 2.157 5.219 ( 2.613 0.803 -1.349) 3.048 5.368 ( 2.696 -0.160 4.435) 5.193 5.448 ( 2.990 -7.092 3.404) 8.415 6.140 ( -2.030 3.088 1.265) 3.906 6.161 ( -0.436 0.902 0.433) 1.091 6.666 ( -0.373 5.436 2.032) 5.815 6.787 ( 2.203 -5.952 0.863) 6.405 6.953 ( 1.517 2.751 1.789) 3.615 6.990 ( 2.382 -1.159 2.360) 3.548 8.449 ( -0.081 4.076 0.324) 4.090 8.532 ( 0.058 -4.126 -0.560) 4.164 8.942 ( -3.074 5.237 -2.467) 6.555 9.032 ( -2.157 -4.032 2.132) 5.045 9.870 ( -0.493 2.539 -4.245) 4.971 9.925 ( -0.251 -2.942 -5.936) 6.630 10.347 ( 6.316 2.659 2.315) 7.233 10.411 ( 3.880 -2.956 4.243) 6.465 10.849 ( -1.480 1.463 -5.543) 5.921 10.909 ( 0.592 -4.594 -3.447) 5.773 11.613 ( -0.516 3.307 3.199) 4.630 11.652 ( -1.001 -0.432 2.664) 2.879 19.459 ( -2.645 4.320 -1.251) 5.217 19.556 ( -2.731 -5.378 0.570) 6.059 19.917 ( -4.139 7.260 -1.120) 8.431 20.057 ( -3.879 -6.474 -1.175) 7.638 20.518 ( -3.365 3.244 1.530) 4.918 20.576 ( -4.613 -2.210 -0.788) 5.176 20.956 ( 4.205 3.848 -3.215) 6.544 20.992 ( 4.456 0.445 -0.731) 4.537 21.641 ( 0.092 1.970 1.157) 2.286 21.728 ( 0.903 -6.556 1.748) 6.845 22.709 ( -0.762 6.985 0.949) 7.090 22.834 ( -2.820 -5.380 -0.120) 6.075 ======================= Grid point 29 (18/128) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 11.341 12.554 -2.066) 17.044 1.676 ( 6.125 9.416 10.493) 15.371 1.744 ( 2.475 -2.698 0.663) 3.721 1.971 ( 5.789 -13.736 7.206) 16.557 2.127 ( 4.755 6.315 5.792) 9.800 2.279 ( 4.109 -8.432 7.956) 12.300 2.443 ( -1.737 8.939 10.013) 13.534 2.563 ( 0.777 -3.205 4.585) 5.648 2.825 ( 3.991 6.237 1.389) 7.534 2.863 ( 4.107 7.355 2.272) 8.725 3.008 ( -3.244 0.054 -0.407) 3.270 3.090 ( -4.342 -4.338 2.969) 6.818 3.366 ( 2.557 4.780 3.963) 6.715 3.379 ( 4.575 4.673 1.689) 6.754 3.505 ( -5.939 11.220 5.493) 13.832 3.592 ( -5.673 0.115 -1.578) 5.890 3.803 ( -6.118 1.339 -1.687) 6.486 4.038 ( -3.257 1.368 -8.168) 8.899 4.076 ( 1.084 -2.116 -5.344) 5.849 4.117 ( -1.312 -21.480 -3.204) 21.757 4.317 ( 2.537 4.802 -0.869) 5.500 4.425 ( 1.617 -3.806 1.373) 4.357 4.724 ( 0.955 1.001 -0.269) 1.410 4.782 ( -1.990 -2.840 -0.904) 3.584 4.945 ( -2.088 0.077 -1.477) 2.558 4.990 ( 2.617 -4.352 -0.642) 5.119 5.221 ( 1.041 1.143 -0.764) 1.724 5.267 ( 3.151 -1.484 -0.514) 3.521 5.455 ( 2.136 -0.342 3.383) 4.015 5.520 ( 0.866 -6.214 2.783) 6.864 6.134 ( -0.716 3.240 2.057) 3.904 6.172 ( 0.242 -0.808 1.880) 2.061 6.678 ( -1.349 5.513 1.624) 5.903 6.780 ( -2.322 -3.408 -1.440) 4.368 7.029 ( 3.718 4.232 2.825) 6.302 7.102 ( 5.076 -3.895 5.263) 8.285 8.450 ( -0.085 3.718 0.138) 3.721 8.525 ( 0.062 -3.637 -0.808) 3.726 8.883 ( -1.542 7.279 -0.503) 7.457 9.012 ( -2.552 -5.623 1.565) 6.370 9.806 ( 0.246 1.880 -6.231) 6.513 9.847 ( -0.323 -2.252 -5.739) 6.174 10.452 ( 2.856 2.809 -1.035) 4.138 10.503 ( 2.841 -1.653 1.285) 3.529 10.769 ( 0.537 3.699 -5.188) 6.395 10.899 ( 3.562 -8.696 -2.420) 9.704 11.644 ( -1.274 2.205 4.180) 4.895 11.665 ( -1.690 0.220 3.205) 3.630 19.382 ( -4.668 4.645 -1.004) 6.661 19.498 ( -5.302 -6.810 0.821) 8.670 19.830 ( -3.646 6.761 -1.852) 7.902 19.968 ( -4.417 -6.723 -1.445) 8.173 20.448 ( -6.255 2.407 -0.144) 6.703 20.478 ( -3.687 -0.499 -2.489) 4.477 21.005 ( 5.749 6.240 -2.713) 8.907 21.090 ( 6.054 -2.196 1.696) 6.659 21.659 ( 0.102 3.042 1.455) 3.373 21.766 ( 0.902 -7.538 1.981) 7.846 22.703 ( -1.681 5.042 1.214) 5.452 22.779 ( -3.457 -2.402 0.387) 4.227 ======================= Grid point 30 (19/128) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 9.719 6.498 -3.617) 12.238 1.783 ( 4.666 -3.250 -0.843) 5.749 1.904 ( 4.138 9.324 10.488) 14.631 2.116 ( 3.343 -10.366 3.910) 11.572 2.291 ( 5.451 4.574 7.428) 10.286 2.397 ( -0.460 -4.849 6.089) 7.797 2.568 ( 2.493 7.073 8.981) 11.701 2.666 ( 5.678 -2.282 2.975) 6.804 2.860 ( -0.904 4.491 -1.709) 4.889 2.924 ( -0.896 -0.887 -5.284) 5.433 2.934 ( -1.746 7.565 4.072) 8.767 3.041 ( -5.865 -2.546 5.397) 8.367 3.442 ( -5.725 6.156 6.603) 10.689 3.480 ( 2.959 7.297 4.238) 8.942 3.530 ( 3.360 1.107 4.378) 5.629 3.592 ( 0.221 -1.779 8.200) 8.394 3.700 ( -0.175 8.063 -3.832) 8.929 3.904 ( -1.128 3.452 -5.039) 6.211 3.967 ( -0.164 -8.685 -10.615) 13.716 4.135 ( 2.648 -20.945 0.568) 21.120 4.354 ( 1.460 6.486 0.087) 6.649 4.453 ( 0.432 -1.871 0.339) 1.950 4.663 ( -6.585 0.201 -3.641) 7.527 4.677 ( -3.761 -1.021 -4.809) 6.189 4.913 ( 0.102 5.729 0.153) 5.732 5.084 ( 5.155 -6.902 1.288) 8.710 5.213 ( -0.016 -1.447 -1.149) 1.848 5.287 ( 0.637 -4.382 -1.350) 4.630 5.516 ( 1.595 -0.802 1.782) 2.522 5.547 ( -0.703 -4.051 2.262) 4.692 6.159 ( 0.528 3.055 1.867) 3.619 6.206 ( 0.586 -1.873 2.106) 2.879 6.656 ( -2.069 3.524 -0.203) 4.092 6.704 ( -3.406 -0.466 -2.308) 4.140 7.127 ( 3.377 5.846 3.215) 7.478 7.243 ( 4.236 -6.206 4.655) 8.839 8.452 ( 0.224 3.039 0.012) 3.047 8.517 ( 0.076 -3.290 -0.666) 3.358 8.877 ( 0.192 6.679 0.746) 6.723 8.989 ( -1.940 -4.506 0.887) 4.985 9.738 ( 0.115 2.662 -5.432) 6.050 9.788 ( -0.095 -2.417 -3.752) 4.464 10.423 ( -1.113 3.875 -3.411) 5.282 10.515 ( 0.084 -5.008 -2.977) 5.827 10.772 ( 3.727 8.023 -1.284) 8.939 10.957 ( 4.067 -9.961 -0.205) 10.761 11.664 ( -1.393 1.154 2.984) 3.489 11.670 ( -1.701 0.712 2.613) 3.198 19.299 ( -3.977 3.151 -0.278) 5.082 19.410 ( -5.948 -7.840 0.733) 9.869 19.764 ( -1.662 6.259 -1.892) 6.747 19.893 ( -2.570 -6.537 -1.159) 7.119 20.341 ( -4.486 3.950 -1.575) 6.181 20.402 ( -2.634 -1.975 -1.705) 3.708 21.070 ( 4.388 8.965 -1.050) 10.036 21.207 ( 4.853 -4.489 1.968) 6.897 21.676 ( 0.042 3.871 1.069) 4.016 21.801 ( 0.805 -8.625 1.538) 8.798 22.674 ( -2.813 5.220 0.491) 5.950 22.745 ( -1.707 -1.871 1.115) 2.767 ======================= Grid point 31 (20/128) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 2.657 5.075 -1.699) 5.975 1.848 ( 2.551 -4.151 -0.026) 4.872 2.060 ( 3.731 4.599 3.875) 7.077 2.177 ( 0.856 -5.972 0.531) 6.056 2.404 ( -1.204 2.565 3.204) 4.277 2.465 ( 2.352 -2.982 4.632) 5.990 2.672 ( -0.352 4.831 2.922) 5.657 2.760 ( 0.133 -3.639 0.669) 3.702 2.816 ( 3.988 7.812 -3.269) 9.361 2.872 ( 2.783 0.540 -3.637) 4.612 2.935 ( -2.910 6.486 2.019) 7.391 3.000 ( -5.863 0.624 3.904) 7.072 3.466 ( -0.017 3.392 4.786) 5.866 3.509 ( -3.094 1.471 1.559) 3.764 3.558 ( 0.203 9.663 -0.630) 9.686 3.710 ( -0.345 -5.157 6.660) 8.430 3.715 ( 2.765 0.832 0.604) 2.950 3.845 ( 0.149 -9.543 -9.241) 13.284 3.961 ( 5.806 9.203 3.771) 11.516 4.201 ( 3.251 -13.596 0.586) 13.992 4.349 ( -0.915 1.799 -0.331) 2.045 4.434 ( -3.015 -5.250 -1.865) 6.335 4.513 ( -3.605 4.203 -2.755) 6.185 4.566 ( -2.134 -1.962 -3.156) 4.285 4.926 ( 0.449 10.075 0.321) 10.091 5.146 ( 0.752 1.396 0.886) 1.817 5.211 ( 0.951 -13.477 -0.720) 13.530 5.272 ( -0.320 -6.445 -0.734) 6.495 5.548 ( 0.701 -0.225 0.434) 0.855 5.562 ( -0.159 -2.395 1.301) 2.730 6.183 ( 0.363 2.668 0.677) 2.776 6.230 ( 0.095 -2.302 0.819) 2.445 6.623 ( -0.763 1.805 -0.401) 2.000 6.636 ( -1.778 0.828 -1.182) 2.290 7.197 ( 1.372 6.741 1.415) 7.023 7.333 ( 1.594 -7.096 1.895) 7.516 8.456 ( 0.180 2.460 0.005) 2.466 8.513 ( 0.083 -2.975 -0.228) 2.984 8.894 ( 0.470 5.079 0.602) 5.136 8.969 ( -0.987 -2.242 0.040) 2.451 9.694 ( 0.009 3.394 -1.998) 3.939 9.757 ( -0.012 -2.875 -1.384) 3.191 10.376 ( -0.570 3.901 -1.504) 4.220 10.479 ( -0.318 -6.104 -1.676) 6.338 10.817 ( 1.915 9.091 -0.205) 9.293 11.003 ( 1.408 -9.091 0.035) 9.199 11.670 ( 0.253 0.764 -0.129) 0.815 11.672 ( -1.578 0.664 2.196) 2.784 19.254 ( -1.252 0.891 -0.011) 1.537 19.338 ( -2.848 -7.667 0.286) 8.184 19.731 ( -0.413 6.176 -0.803) 6.242 19.857 ( -0.753 -6.369 -0.452) 6.429 20.277 ( -1.575 4.977 -0.664) 5.262 20.357 ( -0.945 -2.978 -0.667) 3.195 21.114 ( 1.598 10.544 -0.230) 10.667 21.281 ( 1.833 -5.833 0.782) 6.164 21.685 ( 0.015 4.407 0.390) 4.424 21.825 ( 0.400 -9.621 0.612) 9.649 22.640 ( -1.350 6.885 0.125) 7.017 22.738 ( -0.502 -2.992 0.541) 3.082 ======================= Grid point 63 (21/128) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( -5.595 0.000 14.545) 15.584 0.516 ( 3.532 0.000 24.372) 24.626 0.901 ( 4.550 0.000 42.351) 42.595 1.896 ( -0.526 0.000 -1.164) 1.277 2.042 ( 5.723 0.000 -4.964) 7.576 2.143 ( 1.048 0.000 5.420) 5.520 2.438 ( 7.370 0.000 4.502) 8.636 2.510 ( -0.424 0.000 -9.878) 9.888 2.615 ( -1.063 0.000 1.440) 1.790 2.655 ( -10.208 0.000 8.396) 13.217 2.710 ( -0.224 0.000 6.890) 6.893 2.859 ( 1.898 0.000 4.299) 4.700 2.966 ( 2.069 0.000 6.296) 6.627 3.138 ( -0.062 0.000 -6.426) 6.426 3.530 ( -1.915 0.000 5.618) 5.935 3.531 ( -4.456 0.000 -7.376) 8.617 4.019 ( -3.600 0.000 -8.168) 8.926 4.119 ( -2.517 0.000 -4.426) 5.092 4.277 ( -1.428 0.000 1.617) 2.158 4.394 ( 2.781 0.000 -2.053) 3.457 4.446 ( -10.629 0.000 6.405) 12.409 4.452 ( 6.060 0.000 3.279) 6.890 4.998 ( 0.767 0.000 -0.288) 0.819 5.103 ( 1.876 0.000 -0.654) 1.987 5.184 ( -2.470 0.000 1.281) 2.782 5.350 ( 4.170 0.000 -2.159) 4.696 5.461 ( -8.848 0.000 3.407) 9.481 5.490 ( 0.276 0.000 -0.145) 0.312 5.675 ( 3.603 0.000 0.664) 3.664 5.698 ( -3.039 0.000 -0.241) 3.048 5.771 ( -2.848 0.000 -5.028) 5.779 5.886 ( 4.888 0.000 -0.418) 4.906 6.233 ( 0.858 0.000 2.121) 2.288 6.602 ( 0.246 0.000 3.427) 3.436 6.668 ( -0.839 0.000 -1.073) 1.362 7.166 ( 20.497 0.000 -4.088) 20.901 8.294 ( -0.823 0.000 1.352) 1.583 8.330 ( -0.334 0.000 1.342) 1.383 8.694 ( -0.831 0.000 -0.382) 0.915 9.431 ( 22.222 0.000 -7.607) 23.488 9.813 ( -3.413 0.000 -0.036) 3.414 10.106 ( -35.003 0.000 3.034) 35.134 10.225 ( 3.147 0.000 -7.882) 8.487 10.601 ( -4.159 0.000 4.710) 6.283 10.909 ( 21.336 0.000 -4.991) 21.912 10.979 ( 2.583 0.000 -10.118) 10.442 11.391 ( 4.362 0.000 8.451) 9.510 11.519 ( -3.058 0.000 8.253) 8.801 19.232 ( -0.017 0.000 1.651) 1.651 19.590 ( 7.090 0.000 -2.900) 7.660 19.809 ( -0.707 0.000 1.924) 2.050 20.260 ( 1.810 0.000 0.769) 1.967 20.272 ( 2.253 0.000 -9.697) 9.955 20.689 ( -3.188 0.000 -2.646) 4.143 20.916 ( 2.036 0.000 10.146) 10.348 21.612 ( -32.070 0.000 -3.013) 32.211 21.767 ( -19.499 0.000 4.154) 19.936 22.254 ( 2.840 0.000 -1.978) 3.461 22.314 ( -0.894 0.000 1.360) 1.627 22.665 ( 6.675 0.000 -2.283) 7.055 ======================= Grid point 64 (22/128) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 26.033 0.000 7.190) 27.008 0.901 ( 9.213 0.000 21.469) 23.362 1.462 ( 6.022 0.000 36.943) 37.430 1.885 ( 6.843 0.000 -7.657) 10.270 2.079 ( -0.096 0.000 4.136) 4.137 2.245 ( 2.008 0.000 5.480) 5.836 2.403 ( 2.861 0.000 -9.962) 10.364 2.513 ( -5.240 0.000 2.954) 6.016 2.667 ( 4.736 0.000 1.262) 4.901 2.746 ( 0.924 0.000 0.232) 0.952 2.775 ( 8.210 0.000 11.209) 13.895 2.913 ( -2.345 0.000 7.017) 7.398 3.089 ( 1.538 0.000 -7.370) 7.528 3.128 ( 2.759 0.000 8.467) 8.905 3.384 ( -2.643 0.000 -0.405) 2.674 3.571 ( -1.209 0.000 1.326) 1.795 3.891 ( -2.406 0.000 -6.523) 6.952 3.981 ( -4.281 0.000 -8.340) 9.374 4.283 ( -0.708 0.000 0.968) 1.200 4.363 ( 2.579 0.000 -8.649) 9.025 4.376 ( -5.089 0.000 4.971) 7.114 4.668 ( 8.372 0.000 6.211) 10.424 4.975 ( -3.569 0.000 0.457) 3.598 5.060 ( -7.134 0.000 2.423) 7.535 5.238 ( 5.560 0.000 2.082) 5.937 5.326 ( -8.668 0.000 3.221) 9.248 5.394 ( 3.574 0.000 -3.825) 5.235 5.509 ( -10.917 0.000 -0.846) 10.950 5.538 ( 3.284 0.000 1.925) 3.806 5.717 ( -1.612 0.000 -3.535) 3.885 5.788 ( 7.570 0.000 1.479) 7.713 6.073 ( 14.004 0.000 -2.630) 14.249 6.307 ( 3.301 0.000 4.457) 5.546 6.619 ( -2.184 0.000 -2.613) 3.405 6.645 ( 0.128 0.000 2.838) 2.841 7.346 ( 13.217 0.000 -8.272) 15.592 8.325 ( 2.144 0.000 1.774) 2.783 8.362 ( 1.860 0.000 2.060) 2.775 8.674 ( -0.974 0.000 -0.479) 1.085 9.375 ( -5.303 0.000 -10.219) 11.513 9.718 ( -6.590 0.000 0.801) 6.638 9.942 ( -4.046 0.000 2.983) 5.027 10.200 ( 4.660 0.000 -7.119) 8.509 10.570 ( -4.901 0.000 2.969) 5.730 10.900 ( 2.251 0.000 -9.869) 10.122 11.143 ( 18.236 0.000 -10.942) 21.267 11.536 ( -5.365 0.000 6.417) 8.364 11.551 ( 2.895 0.000 6.975) 7.552 19.271 ( 1.962 0.000 2.358) 3.068 19.600 ( 1.158 0.000 -5.045) 5.176 19.824 ( 0.148 0.000 1.577) 1.584 20.196 ( 1.328 0.000 -7.802) 7.914 20.327 ( 4.183 0.000 1.378) 4.404 20.578 ( -5.332 0.000 -4.511) 6.984 21.001 ( -39.350 0.000 18.106) 43.316 21.078 ( 2.912 0.000 10.146) 10.556 21.732 ( -0.987 0.000 1.743) 2.003 22.248 ( -1.432 0.000 -0.657) 1.575 22.345 ( 2.407 0.000 1.055) 2.628 22.637 ( -1.935 0.000 -0.678) 2.050 ======================= Grid point 65 (23/128) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 26.629 0.000 3.685) 26.883 1.297 ( 9.989 0.000 18.304) 20.853 1.922 ( 3.605 0.000 25.769) 26.020 1.935 ( 10.002 0.000 -8.430) 13.081 2.164 ( 1.653 0.000 8.354) 8.516 2.251 ( 4.207 0.000 -10.139) 10.977 2.453 ( 3.516 0.000 6.345) 7.254 2.462 ( -3.823 0.000 1.060) 3.967 2.643 ( -6.223 0.000 -5.858) 8.547 2.744 ( 1.603 0.000 1.533) 2.218 2.955 ( -1.818 0.000 2.589) 3.164 3.062 ( 3.875 0.000 0.144) 3.878 3.081 ( 11.401 0.000 6.144) 12.951 3.155 ( -0.618 0.000 0.420) 0.747 3.496 ( -5.075 0.000 -4.221) 6.601 3.532 ( 5.558 0.000 12.589) 13.761 3.765 ( -7.798 0.000 -0.092) 7.798 3.814 ( -3.433 0.000 -6.738) 7.562 4.228 ( -3.573 0.000 -2.177) 4.184 4.280 ( 1.195 0.000 -10.113) 10.184 4.427 ( 4.054 0.000 1.884) 4.470 4.772 ( -2.393 0.000 -0.360) 2.420 4.924 ( -2.664 0.000 -0.048) 2.664 4.985 ( -5.025 0.000 4.229) 6.568 5.257 ( -5.886 0.000 7.393) 9.450 5.273 ( -9.495 0.000 -2.268) 9.762 5.392 ( 2.517 0.000 -5.792) 6.315 5.399 ( 5.223 0.000 1.240) 5.368 5.638 ( 5.209 0.000 2.647) 5.843 5.663 ( -1.456 0.000 -1.513) 2.100 5.933 ( 6.661 0.000 2.269) 7.037 6.251 ( 11.309 0.000 -2.907) 11.677 6.432 ( 4.574 0.000 4.981) 6.762 6.546 ( -2.100 0.000 -3.339) 3.945 6.665 ( -0.311 0.000 0.814) 0.871 7.449 ( 11.280 0.000 -8.422) 14.078 8.397 ( 3.773 0.000 1.663) 4.124 8.441 ( 3.828 0.000 3.343) 5.082 8.654 ( -1.187 0.000 0.301) 1.224 9.142 ( -6.849 0.000 -11.670) 13.532 9.643 ( -4.570 0.000 2.149) 5.050 9.915 ( -4.040 0.000 4.258) 5.870 10.217 ( 5.860 0.000 -4.512) 7.395 10.518 ( -4.263 0.000 1.385) 4.482 10.831 ( 2.461 0.000 -7.990) 8.360 11.273 ( 12.481 0.000 -9.567) 15.726 11.492 ( -7.181 0.000 3.825) 8.136 11.647 ( -0.410 0.000 6.293) 6.306 19.353 ( 4.200 0.000 2.826) 5.062 19.543 ( -1.292 0.000 -3.707) 3.926 19.847 ( 1.251 0.000 0.124) 1.257 20.141 ( 1.232 0.000 -5.127) 5.273 20.412 ( -7.634 0.000 -5.042) 9.149 20.416 ( 4.319 0.000 1.404) 4.542 20.688 ( -24.612 0.000 15.597) 29.138 21.237 ( 3.035 0.000 8.109) 8.658 21.737 ( -0.522 0.000 1.151) 1.263 22.204 ( -2.870 0.000 -0.461) 2.907 22.399 ( 2.346 0.000 1.019) 2.557 22.611 ( -0.414 0.000 -0.709) 0.822 ======================= Grid point 66 (24/128) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 21.570 0.000 0.304) 21.572 1.632 ( 6.726 0.000 13.035) 14.668 2.011 ( 8.400 0.000 -3.598) 9.138 2.120 ( -0.927 0.000 4.520) 4.614 2.245 ( 6.544 0.000 -5.599) 8.612 2.295 ( 1.438 0.000 4.978) 5.182 2.359 ( -4.422 0.000 -6.701) 8.028 2.499 ( -3.080 0.000 -1.857) 3.597 2.559 ( 0.666 0.000 1.300) 1.461 2.779 ( -0.906 0.000 4.860) 4.944 2.920 ( -2.980 0.000 2.217) 3.714 3.176 ( 1.489 0.000 0.402) 1.542 3.180 ( 3.351 0.000 2.557) 4.215 3.214 ( 5.328 0.000 -6.963) 8.768 3.354 ( -2.648 0.000 -4.732) 5.423 3.653 ( -10.440 0.000 7.272) 12.723 3.707 ( 2.383 0.000 5.140) 5.665 3.780 ( 2.088 0.000 -0.273) 2.106 4.165 ( -0.517 0.000 -1.552) 1.636 4.223 ( 1.418 0.000 0.629) 1.551 4.499 ( 4.239 0.000 -2.051) 4.709 4.652 ( -7.109 0.000 -2.005) 7.387 4.869 ( -1.799 0.000 -4.067) 4.447 4.931 ( -6.790 0.000 1.987) 7.074 5.095 ( -8.342 0.000 1.740) 8.522 5.309 ( 0.239 0.000 3.865) 3.872 5.343 ( 0.292 0.000 -2.903) 2.918 5.516 ( 4.413 0.000 2.469) 5.057 5.621 ( -0.731 0.000 -2.800) 2.894 5.751 ( 4.671 0.000 1.740) 4.985 6.041 ( 2.751 0.000 2.271) 3.567 6.371 ( 7.875 0.000 -3.894) 8.785 6.483 ( -0.559 0.000 -3.033) 3.084 6.549 ( 2.593 0.000 3.363) 4.247 6.662 ( 0.413 0.000 -0.682) 0.798 7.516 ( 9.795 0.000 -10.260) 14.185 8.477 ( 3.848 0.000 0.844) 3.939 8.568 ( 5.458 0.000 5.134) 7.493 8.641 ( -1.718 0.000 1.340) 2.179 8.898 ( -6.064 0.000 -10.589) 12.202 9.615 ( -2.976 0.000 3.645) 4.705 9.914 ( -4.232 0.000 7.131) 8.292 10.283 ( 5.682 0.000 -1.126) 5.792 10.466 ( -2.696 0.000 -0.059) 2.697 10.808 ( 3.415 0.000 -3.928) 5.205 11.342 ( 9.046 0.000 -8.740) 12.578 11.398 ( -7.280 0.000 1.142) 7.369 11.694 ( -2.419 0.000 6.041) 6.507 19.468 ( 5.256 0.000 2.717) 5.917 19.482 ( -1.073 0.000 -3.037) 3.221 19.863 ( 1.730 0.000 -1.784) 2.485 20.114 ( 1.051 0.000 -3.028) 3.205 20.230 ( -7.056 0.000 -3.685) 7.960 20.490 ( 0.176 0.000 1.268) 1.281 20.520 ( -14.107 0.000 13.190) 19.313 21.354 ( 1.403 0.000 4.934) 5.129 21.741 ( -0.440 0.000 0.762) 0.880 22.149 ( -2.770 0.000 -0.538) 2.822 22.436 ( 1.226 0.000 0.054) 1.227 22.600 ( 0.307 0.000 -1.306) 1.342 ======================= Grid point 67 (25/128) ======================= q-point: (-0.56 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -6.404 0.000 -3.182) 7.151 1.842 ( 7.796 0.000 -7.678) 10.942 2.070 ( -5.553 0.000 -4.664) 7.252 2.166 ( 5.882 0.000 0.382) 5.895 2.193 ( 0.173 0.000 2.072) 2.079 2.311 ( 10.762 0.000 -4.714) 11.749 2.340 ( -1.512 0.000 -3.252) 3.586 2.458 ( 0.122 0.000 -2.129) 2.133 2.478 ( -2.585 0.000 -8.883) 9.251 2.828 ( -5.153 0.000 7.841) 9.383 2.880 ( -2.820 0.000 1.755) 3.321 3.160 ( 2.501 0.000 -5.676) 6.203 3.167 ( -1.801 0.000 -5.708) 5.985 3.231 ( 4.766 0.000 -5.274) 7.108 3.408 ( 6.487 0.000 8.018) 10.313 3.585 ( -10.210 0.000 9.122) 13.691 3.667 ( -0.577 0.000 -9.713) 9.730 3.841 ( -1.799 0.000 6.472) 6.717 4.174 ( 1.139 0.000 1.410) 1.813 4.338 ( 0.954 0.000 10.894) 10.935 4.512 ( 2.505 0.000 -5.346) 5.904 4.559 ( -0.319 0.000 -1.153) 1.197 4.798 ( 0.384 0.000 -3.954) 3.973 4.843 ( -5.387 0.000 2.125) 5.792 5.061 ( -2.826 0.000 7.117) 7.658 5.214 ( -1.946 0.000 -9.596) 9.791 5.432 ( 1.544 0.000 6.623) 6.801 5.541 ( -0.405 0.000 -4.381) 4.399 5.614 ( 1.628 0.000 1.027) 1.925 5.814 ( 0.969 0.000 0.498) 1.090 6.072 ( -0.953 0.000 0.669) 1.165 6.409 ( 3.129 0.000 -4.904) 5.817 6.471 ( 2.661 0.000 -2.187) 3.444 6.572 ( -1.302 0.000 -0.417) 1.367 6.673 ( 0.871 0.000 -0.539) 1.024 7.525 ( 7.771 0.000 -13.164) 15.287 8.534 ( 2.195 0.000 -0.263) 2.211 8.630 ( -1.992 0.000 2.454) 3.161 8.659 ( -3.846 0.000 -2.453) 4.562 8.785 ( 5.994 0.000 1.461) 6.170 9.636 ( -1.490 0.000 6.887) 7.047 9.935 ( -4.553 0.000 8.515) 9.656 10.349 ( 2.163 0.000 0.200) 2.172 10.447 ( -0.050 0.000 1.278) 1.279 10.852 ( 4.197 0.000 0.297) 4.207 11.298 ( -4.280 0.000 -0.957) 4.385 11.371 ( 6.836 0.000 -8.586) 10.975 11.715 ( -3.148 0.000 5.623) 6.444 19.440 ( 0.225 0.000 -2.947) 2.956 19.549 ( 0.670 0.000 0.486) 0.827 19.861 ( 1.682 0.000 -3.257) 3.666 20.088 ( 1.182 0.000 -2.147) 2.451 20.157 ( 0.080 0.000 1.082) 1.085 20.400 ( -11.659 0.000 8.702) 14.548 20.567 ( 0.354 0.000 4.611) 4.625 21.383 ( -2.298 0.000 0.778) 2.426 21.741 ( -0.477 0.000 0.586) 0.756 22.113 ( -0.740 0.000 -0.267) 0.787 22.438 ( 0.147 0.000 -1.629) 1.635 22.586 ( 0.452 0.000 -2.200) 2.246 ======================= Grid point 68 (26/128) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -14.071 0.000 -12.002) 18.494 1.622 ( -11.727 0.000 -20.399) 23.530 1.928 ( -4.045 0.000 -6.916) 8.013 2.068 ( -2.314 0.000 -13.216) 13.417 2.237 ( -4.375 0.000 4.381) 6.191 2.293 ( -4.829 0.000 -8.946) 10.166 2.375 ( 1.873 0.000 -1.950) 2.704 2.469 ( 7.928 0.000 0.648) 7.955 2.510 ( 7.935 0.000 6.762) 10.426 2.751 ( -7.151 0.000 3.987) 8.188 2.949 ( -1.949 0.000 -0.742) 2.085 3.041 ( 5.870 0.000 -8.394) 10.243 3.107 ( -0.024 0.000 -12.156) 12.156 3.189 ( -0.551 0.000 -5.355) 5.383 3.523 ( -9.079 0.000 9.356) 13.037 3.622 ( 2.507 0.000 -1.027) 2.709 3.680 ( 7.525 0.000 15.228) 16.986 3.813 ( -6.986 0.000 4.553) 8.339 4.221 ( 1.025 0.000 2.844) 3.023 4.453 ( -0.303 0.000 -7.817) 7.823 4.453 ( 2.021 0.000 5.935) 6.269 4.611 ( 3.069 0.000 2.502) 3.959 4.784 ( 1.806 0.000 -2.724) 3.268 4.831 ( 1.088 0.000 1.304) 1.698 5.052 ( -2.832 0.000 -9.957) 10.352 5.148 ( 2.064 0.000 7.219) 7.509 5.485 ( 0.311 0.000 -3.491) 3.505 5.517 ( 0.401 0.000 4.663) 4.681 5.635 ( -0.253 0.000 0.497) 0.557 5.789 ( -4.098 0.000 0.125) 4.100 6.040 ( -2.416 0.000 -0.845) 2.559 6.378 ( 1.000 0.000 -6.277) 6.356 6.502 ( 3.108 0.000 -0.665) 3.179 6.509 ( -4.162 0.000 -3.045) 5.157 6.658 ( -0.414 0.000 -2.092) 2.133 7.468 ( 6.047 0.000 -15.678) 16.804 8.528 ( -2.135 0.000 -0.520) 2.198 8.540 ( -4.750 0.000 -2.543) 5.388 8.645 ( -0.316 0.000 3.192) 3.208 8.942 ( 7.119 0.000 1.847) 7.355 9.745 ( 0.467 0.000 13.728) 13.736 9.957 ( -4.298 0.000 7.783) 8.891 10.381 ( 1.380 0.000 1.498) 2.037 10.460 ( -2.001 0.000 2.218) 2.988 10.939 ( 4.194 0.000 2.096) 4.689 11.253 ( 0.670 0.000 -1.212) 1.385 11.366 ( 4.870 0.000 -8.901) 10.146 11.726 ( -2.635 0.000 4.619) 5.318 19.420 ( 1.587 0.000 -3.227) 3.596 19.488 ( -5.520 0.000 -2.064) 5.894 19.845 ( 1.159 0.000 -3.455) 3.644 20.147 ( 6.133 0.000 -1.401) 6.290 20.227 ( 4.340 0.000 5.793) 7.238 20.323 ( -8.602 0.000 6.605) 10.845 20.623 ( -1.516 0.000 6.636) 6.807 21.295 ( -6.073 0.000 -3.396) 6.958 21.739 ( -0.659 0.000 0.624) 0.907 22.121 ( 1.731 0.000 -0.117) 1.734 22.409 ( -0.393 0.000 -2.698) 2.726 22.561 ( 0.468 0.000 -3.375) 3.407 ======================= Grid point 69 (27/128) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -16.105 0.000 -13.410) 20.957 1.110 ( -15.153 0.000 -26.550) 30.570 1.660 ( -21.735 0.000 -3.115) 21.957 1.849 ( -1.617 0.000 -14.742) 14.830 2.160 ( 0.476 0.000 -6.883) 6.900 2.236 ( -2.630 0.000 2.364) 3.537 2.365 ( 0.308 0.000 1.316) 1.352 2.583 ( 4.367 0.000 1.312) 4.560 2.693 ( 2.081 0.000 0.925) 2.278 2.707 ( -1.937 0.000 0.533) 2.009 2.759 ( -4.450 0.000 -11.021) 11.885 2.900 ( -2.493 0.000 -11.331) 11.602 3.165 ( 0.586 0.000 1.885) 1.974 3.196 ( 9.550 0.000 1.929) 9.743 3.522 ( -12.613 0.000 0.499) 12.622 3.540 ( -3.582 0.000 12.186) 12.701 3.890 ( 6.716 0.000 5.661) 8.784 3.965 ( 3.898 0.000 14.418) 14.936 4.229 ( -0.082 0.000 -5.149) 5.150 4.362 ( -0.600 0.000 -2.245) 2.323 4.561 ( 3.137 0.000 2.502) 4.012 4.660 ( 3.524 0.000 -2.640) 4.403 4.793 ( 1.916 0.000 -0.185) 1.925 4.796 ( -4.042 0.000 -5.862) 7.121 4.998 ( 6.093 0.000 -0.628) 6.125 5.240 ( 2.443 0.000 0.416) 2.478 5.482 ( -1.131 0.000 2.303) 2.566 5.546 ( -1.448 0.000 1.599) 2.157 5.645 ( 1.992 0.000 1.253) 2.353 5.709 ( -6.156 0.000 2.053) 6.489 5.969 ( -4.523 0.000 -2.166) 5.015 6.298 ( -1.174 0.000 -6.593) 6.697 6.376 ( -5.472 0.000 -4.290) 6.953 6.556 ( 3.596 0.000 0.110) 3.597 6.623 ( -0.610 0.000 -2.380) 2.457 7.365 ( 5.312 0.000 -17.868) 18.641 8.447 ( -4.143 0.000 -0.998) 4.262 8.468 ( -4.770 0.000 0.402) 4.787 8.679 ( -0.128 0.000 2.744) 2.747 9.030 ( 4.198 0.000 -2.840) 5.068 9.918 ( -5.881 0.000 14.300) 15.463 10.025 ( 4.502 0.000 11.653) 12.492 10.397 ( 0.301 0.000 -3.989) 4.000 10.468 ( -2.097 0.000 8.049) 8.318 11.023 ( 4.233 0.000 -0.305) 4.244 11.286 ( 2.542 0.000 1.635) 3.022 11.324 ( 2.985 0.000 -9.223) 9.694 11.734 ( -0.947 0.000 1.184) 1.516 19.367 ( -5.564 0.000 -1.807) 5.850 19.411 ( 1.833 0.000 -3.508) 3.958 19.822 ( 0.303 0.000 -2.343) 2.362 20.224 ( 5.429 0.000 -1.170) 5.554 20.272 ( -5.415 0.000 4.676) 7.154 20.412 ( 7.299 0.000 7.012) 10.122 20.683 ( -3.756 0.000 12.032) 12.605 21.122 ( -7.630 0.000 -5.859) 9.621 21.734 ( -0.973 0.000 0.887) 1.317 22.155 ( 2.872 0.000 -0.894) 3.008 22.371 ( -0.531 0.000 -2.225) 2.287 22.522 ( 0.584 0.000 -4.950) 4.985 ======================= Grid point 70 (28/128) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -16.757 0.000 -20.263) 26.294 0.612 ( -17.197 0.000 -8.224) 19.062 1.187 ( -32.044 0.000 0.191) 32.044 1.732 ( 3.821 0.000 -6.819) 7.817 2.114 ( 0.448 0.000 -3.245) 3.276 2.191 ( -0.379 0.000 -5.413) 5.426 2.417 ( -0.961 0.000 5.555) 5.637 2.553 ( -4.763 0.000 -7.735) 9.084 2.585 ( 0.298 0.000 -7.159) 7.165 2.666 ( -1.527 0.000 3.033) 3.396 2.698 ( 4.167 0.000 -4.142) 5.876 2.839 ( -2.561 0.000 0.993) 2.747 3.147 ( -12.366 0.000 2.777) 12.674 3.346 ( 5.893 0.000 1.336) 6.043 3.439 ( 4.331 0.000 4.738) 6.419 3.666 ( -0.337 0.000 10.171) 10.177 4.009 ( 0.612 0.000 -7.228) 7.254 4.050 ( 5.269 0.000 3.114) 6.121 4.253 ( 1.942 0.000 5.323) 5.666 4.385 ( -0.624 0.000 7.777) 7.802 4.496 ( -4.528 0.000 -7.328) 8.614 4.618 ( -6.328 0.000 -2.716) 6.886 4.818 ( 12.160 0.000 -1.379) 12.238 4.861 ( 2.765 0.000 6.089) 6.687 5.133 ( 8.233 0.000 1.060) 8.301 5.242 ( 0.107 0.000 -3.048) 3.050 5.452 ( -4.599 0.000 1.387) 4.804 5.518 ( -1.495 0.000 -0.979) 1.787 5.645 ( -6.778 0.000 4.433) 8.099 5.754 ( 5.523 0.000 4.676) 7.236 5.834 ( -6.796 0.000 -4.093) 7.933 6.202 ( -1.784 0.000 -4.493) 4.834 6.268 ( -3.148 0.000 -1.566) 3.516 6.586 ( -0.969 0.000 -1.356) 1.666 6.616 ( 3.362 0.000 -0.027) 3.362 7.216 ( 4.235 0.000 -22.344) 22.742 8.378 ( -3.375 0.000 -0.173) 3.379 8.389 ( -5.455 0.000 0.925) 5.533 8.701 ( -0.374 0.000 1.745) 1.785 9.023 ( 1.269 0.000 -5.264) 5.414 9.917 ( -6.389 0.000 6.317) 8.984 10.312 ( 5.437 0.000 18.594) 19.372 10.337 ( 0.011 0.000 -5.606) 5.606 10.540 ( -1.405 0.000 7.883) 8.007 11.061 ( 4.204 0.000 -5.134) 6.636 11.258 ( 2.258 0.000 -8.779) 9.065 11.363 ( 1.108 0.000 5.972) 6.074 11.686 ( 0.373 0.000 -12.510) 12.516 19.276 ( -3.663 0.000 -0.573) 3.708 19.394 ( -0.448 0.000 -0.780) 0.900 19.804 ( -0.460 0.000 -0.415) 0.619 20.255 ( -1.896 0.000 2.372) 3.037 20.296 ( 5.901 0.000 -3.167) 6.697 20.602 ( 5.081 0.000 7.453) 9.021 20.846 ( -3.013 0.000 32.004) 32.145 20.931 ( -6.739 0.000 -5.557) 8.734 21.729 ( -1.297 0.000 1.704) 2.141 22.189 ( 3.355 0.000 -2.059) 3.936 22.343 ( -0.814 0.000 -0.667) 1.053 22.458 ( 0.198 0.000 -7.652) 7.654 ======================= Grid point 71 (29/128) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( -13.751 0.000 12.618) 18.663 0.369 ( -5.510 0.000 32.168) 32.636 0.654 ( -34.669 0.000 7.171) 35.403 1.814 ( 6.491 0.000 3.660) 7.452 2.091 ( 1.588 0.000 -12.471) 12.571 2.100 ( -0.448 0.000 1.359) 1.431 2.374 ( -2.275 0.000 -0.271) 2.291 2.566 ( 1.263 0.000 8.388) 8.483 2.576 ( 2.665 0.000 1.391) 3.006 2.622 ( -0.929 0.000 -5.595) 5.671 2.761 ( 4.207 0.000 1.140) 4.359 2.792 ( -9.053 0.000 5.411) 10.546 2.960 ( -7.910 0.000 1.106) 7.987 3.368 ( -0.153 0.000 -12.516) 12.517 3.588 ( 4.589 0.000 0.177) 4.593 3.596 ( -7.656 0.000 -4.965) 9.125 4.082 ( 6.429 0.000 0.594) 6.457 4.133 ( 2.225 0.000 1.171) 2.514 4.286 ( -1.334 0.000 1.501) 2.008 4.361 ( -1.709 0.000 -3.558) 3.947 4.486 ( -4.014 0.000 -3.635) 5.415 4.506 ( 1.178 0.000 5.520) 5.644 5.004 ( 10.697 0.000 -1.305) 10.777 5.020 ( 2.139 0.000 3.810) 4.369 5.197 ( -1.140 0.000 2.663) 2.897 5.270 ( 6.743 0.000 0.502) 6.762 5.431 ( 2.793 0.000 7.189) 7.712 5.490 ( -0.007 0.000 -1.776) 1.776 5.573 ( -8.476 0.000 4.596) 9.642 5.691 ( -4.316 0.000 -2.501) 4.988 5.871 ( 2.391 0.000 0.591) 2.463 6.141 ( -4.044 0.000 -6.835) 7.942 6.225 ( -1.304 0.000 0.218) 1.322 6.572 ( -0.452 0.000 1.419) 1.489 6.658 ( 2.111 0.000 -0.086) 2.113 6.956 ( -2.575 0.000 -14.353) 14.582 8.320 ( -3.886 0.000 1.068) 4.030 8.337 ( -1.946 0.000 0.844) 2.121 8.706 ( -0.622 0.000 0.524) 0.813 9.025 ( 5.784 0.000 6.040) 8.363 9.872 ( -5.355 0.000 2.601) 5.953 10.274 ( 1.566 0.000 -7.121) 7.291 10.592 ( -2.679 0.000 6.494) 7.025 10.605 ( 7.215 0.000 13.429) 15.245 11.042 ( 3.419 0.000 -8.696) 9.344 11.095 ( -15.879 0.000 -42.068) 44.965 11.324 ( -8.336 0.000 -9.056) 12.308 11.452 ( -0.903 0.000 8.408) 8.456 19.233 ( -1.755 0.000 0.678) 1.882 19.440 ( 2.735 0.000 8.663) 9.085 19.800 ( -0.637 0.000 1.318) 1.464 20.250 ( -0.131 0.000 -0.449) 0.468 20.324 ( 4.729 0.000 -7.866) 9.178 20.738 ( -0.801 0.000 6.008) 6.061 20.806 ( -1.052 0.000 -0.134) 1.060 21.606 ( 24.202 0.000 32.633) 40.628 21.811 ( 15.654 0.000 39.165) 42.177 22.221 ( 3.790 0.000 -2.476) 4.528 22.304 ( -7.316 0.000 -12.790) 14.735 22.325 ( -1.401 0.000 0.673) 1.554 ======================= Grid point 72 (30/128) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -4.871 19.940 7.139) 21.732 0.890 ( 2.523 18.008 24.264) 30.322 1.185 ( 4.800 31.703 24.307) 40.237 1.896 ( 0.059 -0.507 -0.513) 0.724 1.992 ( 0.947 -1.286 -5.925) 6.136 2.251 ( 6.401 6.192 6.347) 10.936 2.322 ( 3.187 -3.445 -0.604) 4.731 2.499 ( -0.403 -8.646 -0.199) 8.658 2.564 ( 0.939 -3.097 3.825) 5.011 2.666 ( -7.477 -0.129 8.528) 11.342 2.857 ( 2.142 12.958 -3.260) 13.532 2.906 ( -0.312 5.151 5.749) 7.725 3.065 ( 8.186 7.686 -1.911) 11.391 3.179 ( -4.663 3.121 -2.123) 5.999 3.523 ( -3.715 -0.490 3.923) 5.425 3.574 ( -2.434 3.429 -4.470) 6.137 3.969 ( -3.595 -2.435 -7.207) 8.414 4.115 ( -3.648 -1.184 -4.123) 5.631 4.266 ( -0.229 -4.357 3.133) 5.371 4.334 ( -4.193 -0.725 1.758) 4.604 4.396 ( 1.688 -0.317 -1.276) 2.139 4.568 ( 1.469 4.096 1.145) 4.499 4.935 ( 7.129 -9.302 -2.986) 12.094 4.991 ( -0.928 -7.331 -0.532) 7.409 5.143 ( -2.790 -4.155 2.492) 5.591 5.233 ( -3.128 -8.336 5.137) 10.279 5.333 ( 3.081 -9.773 3.434) 10.807 5.353 ( -3.079 -6.138 -1.212) 6.973 5.481 ( -1.121 -4.267 5.577) 7.111 5.703 ( 3.205 -4.904 0.506) 5.880 5.879 ( 2.836 10.120 -0.624) 10.528 5.949 ( 3.087 6.031 -0.049) 6.775 6.565 ( -0.674 9.856 -11.283) 14.997 6.593 ( 0.782 0.423 2.179) 2.353 6.768 ( -1.457 7.903 -2.580) 8.440 7.119 ( 12.185 -3.889 -1.345) 12.861 8.346 ( -1.309 2.195 1.683) 3.060 8.465 ( 0.896 9.239 -8.741) 12.750 8.725 ( -1.813 3.595 -1.430) 4.273 9.344 ( 13.208 -7.358 0.802) 15.141 9.802 ( -4.600 0.227 -0.505) 4.633 10.034 ( -19.279 -3.308 5.829) 20.411 10.223 ( 3.589 -0.392 -6.824) 7.720 10.572 ( -1.583 -4.490 6.627) 8.160 10.784 ( 2.475 -0.221 -5.362) 5.909 11.041 ( 8.246 -4.212 -10.310) 13.858 11.450 ( 1.906 5.760 6.389) 8.810 11.605 ( -2.148 5.607 5.479) 8.129 19.318 ( -1.320 5.656 -1.706) 6.053 19.618 ( 7.446 2.431 -4.222) 8.899 19.819 ( -2.004 0.282 2.375) 3.120 20.199 ( 2.556 -3.109 -4.528) 6.058 20.362 ( 1.783 5.627 -4.410) 7.368 20.723 ( -2.783 3.273 -3.122) 5.311 20.898 ( 0.068 -2.117 10.823) 11.029 21.220 ( -30.735 -22.494 19.670) 42.866 21.684 ( -0.052 -2.086 0.027) 2.087 22.050 ( 4.127 -10.875 1.845) 11.778 22.389 ( 2.837 7.968 0.717) 8.488 22.911 ( 0.055 6.370 -9.789) 11.679 ======================= Grid point 73 (31/128) ======================= q-point: ( 0.11 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 15.973 10.865 6.884) 20.508 1.231 ( 7.508 20.082 19.756) 29.154 1.633 ( 7.848 18.788 29.235) 35.627 1.899 ( 6.677 0.986 -8.269) 10.674 1.962 ( -2.420 -5.452 4.684) 7.584 2.362 ( 5.048 -1.824 -6.421) 8.369 2.418 ( 3.623 9.207 6.463) 11.818 2.494 ( -3.382 -4.050 2.059) 5.664 2.586 ( 2.386 -4.965 3.007) 6.276 2.747 ( 2.080 1.896 7.678) 8.178 2.887 ( 2.620 8.921 -0.123) 9.298 2.934 ( -3.004 -0.249 4.444) 5.370 3.123 ( 4.022 6.122 -4.672) 8.688 3.216 ( 2.886 6.666 7.633) 10.537 3.400 ( -5.690 1.405 -0.146) 5.863 3.605 ( 1.566 2.882 1.898) 3.790 3.828 ( -2.526 -4.434 -6.852) 8.544 3.978 ( -4.862 -0.526 -7.032) 8.565 4.252 ( -0.344 -2.263 -3.708) 4.358 4.268 ( -5.618 -6.506 2.241) 8.883 4.428 ( 2.098 2.510 -1.558) 3.623 4.675 ( 5.699 -0.811 4.113) 7.075 4.939 ( -3.455 -4.336 0.426) 5.560 4.994 ( 0.234 -7.503 -3.390) 8.237 5.119 ( -2.917 -8.756 2.294) 9.509 5.221 ( -2.973 -5.236 1.556) 6.219 5.296 ( -0.514 -5.252 1.437) 5.469 5.399 ( 1.954 -9.041 0.923) 9.296 5.535 ( 0.454 -1.508 2.442) 2.905 5.779 ( 4.749 -4.367 0.529) 6.473 5.872 ( -1.328 11.971 0.765) 12.069 6.085 ( 10.019 1.656 -0.273) 10.158 6.481 ( 1.490 11.545 -3.889) 12.273 6.604 ( -1.479 0.732 0.091) 1.653 6.748 ( 0.602 7.578 -0.148) 7.603 7.272 ( 11.463 -6.456 -4.784) 13.998 8.348 ( -0.424 2.231 1.785) 2.889 8.442 ( 3.099 6.173 -1.389) 7.046 8.685 ( -1.778 1.518 -0.344) 2.363 9.333 ( -4.767 -4.297 -5.896) 8.715 9.713 ( -4.698 0.297 -0.931) 4.798 9.930 ( -4.464 -1.108 2.574) 5.271 10.226 ( 5.219 2.331 -6.337) 8.534 10.566 ( -4.525 -0.660 2.802) 5.363 10.789 ( 4.171 -7.035 -6.935) 10.723 11.101 ( 12.419 -5.717 -8.915) 16.321 11.570 ( 0.747 3.640 8.198) 9.001 11.613 ( -3.340 4.691 3.894) 6.951 19.300 ( -0.485 2.566 1.236) 2.889 19.628 ( 1.748 2.335 -5.528) 6.251 19.816 ( -1.672 -1.130 2.497) 3.210 20.167 ( 1.032 -2.409 -5.463) 6.059 20.369 ( 2.057 3.746 -1.380) 4.491 20.627 ( -3.030 4.782 -4.189) 7.043 20.847 ( -27.169 -10.588 16.522) 33.514 21.099 ( 0.439 0.409 9.827) 9.845 21.686 ( -0.213 -2.834 0.546) 2.894 22.117 ( 2.533 -9.953 0.616) 10.289 22.443 ( 1.247 7.656 1.354) 7.875 22.761 ( -4.667 7.352 -4.376) 9.746 ======================= Grid point 74 (32/128) ======================= q-point: ( 0.22 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 20.577 2.341 5.223) 21.359 1.581 ( 8.816 16.984 15.897) 24.877 1.910 ( 4.588 -2.847 -4.539) 7.054 2.025 ( 3.068 5.813 12.044) 13.721 2.078 ( 8.354 4.047 12.914) 15.904 2.346 ( 5.135 2.051 -9.151) 10.692 2.467 ( -1.976 0.348 1.237) 2.357 2.501 ( -0.965 3.009 2.759) 4.195 2.660 ( 0.775 2.662 0.723) 2.865 2.809 ( -0.509 5.561 1.350) 5.746 2.910 ( -2.912 -1.587 5.073) 6.061 2.963 ( 4.008 -3.147 0.066) 5.096 3.179 ( 6.730 6.457 -0.314) 9.332 3.267 ( -4.165 4.630 4.122) 7.468 3.465 ( 5.802 2.412 3.017) 6.970 3.629 ( -1.018 5.715 3.680) 6.872 3.721 ( -4.902 -3.246 -0.659) 5.915 3.822 ( -4.008 0.240 -4.016) 5.679 4.183 ( -1.562 -3.293 -3.507) 5.058 4.215 ( 0.271 -6.459 -5.185) 8.287 4.437 ( 1.805 1.089 -0.920) 2.301 4.757 ( -1.968 -2.429 -0.448) 3.158 4.897 ( -3.994 -10.551 2.163) 11.487 4.914 ( -2.502 -0.924 -0.404) 2.697 5.020 ( -8.600 -9.440 -1.067) 12.815 5.248 ( 2.200 -6.728 0.190) 7.081 5.331 ( 0.507 -0.783 3.308) 3.437 5.442 ( 3.201 -9.179 -0.231) 9.724 5.564 ( 1.082 3.524 1.476) 3.970 5.830 ( 1.210 -1.627 -0.603) 2.116 5.902 ( 2.947 6.333 2.077) 7.288 6.234 ( 8.704 -1.362 -1.108) 8.879 6.488 ( 1.344 6.464 -1.111) 6.695 6.573 ( -0.916 1.260 -0.228) 1.574 6.769 ( 2.149 8.837 -0.526) 9.110 7.393 ( 10.912 -5.209 -6.367) 13.666 8.383 ( 1.724 0.139 2.075) 2.701 8.507 ( 4.326 4.324 1.254) 6.244 8.659 ( -1.618 1.105 0.848) 2.135 9.148 ( -6.082 0.114 -9.161) 10.997 9.643 ( -3.799 0.364 1.320) 4.038 9.898 ( -3.859 -1.572 3.860) 5.680 10.246 ( 5.298 2.650 -4.647) 7.529 10.519 ( -3.534 0.235 1.087) 3.705 10.757 ( 2.771 -6.216 -6.977) 9.746 11.198 ( 9.456 -6.513 -6.764) 13.326 11.571 ( -4.638 5.917 1.872) 7.747 11.666 ( -0.748 1.936 6.756) 7.068 19.328 ( 1.406 -1.557 1.937) 2.855 19.579 ( -0.434 2.749 -3.694) 4.626 19.821 ( -0.581 -2.867 1.472) 3.275 20.125 ( 0.155 -1.746 -3.082) 3.545 20.322 ( -5.299 -2.068 -3.779) 6.829 20.578 ( 1.872 9.547 -1.133) 9.794 20.627 ( -19.505 -4.995 12.784) 23.850 21.242 ( 2.962 0.228 7.719) 8.271 21.687 ( -0.263 -3.258 0.368) 3.290 22.161 ( 2.141 -7.387 0.627) 7.716 22.438 ( -2.704 6.886 -0.484) 7.414 22.688 ( -0.578 5.174 -1.017) 5.304 ======================= Grid point 75 (33/128) ======================= q-point: ( 0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 16.359 -2.531 2.608) 16.758 1.853 ( 5.473 8.362 7.949) 12.770 1.972 ( 6.111 -1.434 1.257) 6.402 2.150 ( 3.439 5.575 0.824) 6.602 2.304 ( 5.262 6.071 2.277) 8.351 2.328 ( 1.340 -1.334 -5.664) 5.972 2.414 ( -1.911 6.410 -3.277) 7.448 2.474 ( -0.550 1.202 -1.018) 1.669 2.664 ( -1.018 6.530 0.501) 6.628 2.821 ( -0.883 2.866 2.654) 4.005 2.888 ( -3.480 -1.745 3.479) 5.222 3.057 ( 2.634 -5.017 0.843) 5.728 3.187 ( -3.558 0.693 -3.075) 4.753 3.290 ( 5.127 4.549 -1.762) 7.077 3.496 ( 2.468 11.090 -5.393) 12.576 3.634 ( -7.916 -1.489 7.334) 10.894 3.730 ( 2.027 1.654 6.433) 6.945 3.792 ( 0.595 1.244 -1.134) 1.786 4.164 ( 0.742 -1.660 -2.405) 3.015 4.175 ( 1.729 -3.179 3.475) 5.017 4.475 ( 3.660 -2.007 -0.947) 4.280 4.627 ( -7.524 -2.522 -2.954) 8.468 4.798 ( -5.697 -8.964 -5.694) 12.051 4.886 ( -5.781 -4.529 2.131) 7.647 4.921 ( -2.431 -8.593 3.114) 9.458 5.260 ( 0.493 -5.152 -1.536) 5.398 5.375 ( -0.409 0.511 3.444) 3.505 5.492 ( 3.573 -5.739 -1.173) 6.862 5.607 ( 1.726 3.870 1.121) 4.383 5.850 ( 2.066 -5.629 -0.183) 5.999 5.960 ( 1.098 4.143 1.048) 4.412 6.336 ( 5.783 -3.585 -2.341) 7.196 6.476 ( 0.074 2.707 -1.909) 3.313 6.575 ( -0.057 0.814 0.582) 1.002 6.806 ( 3.215 10.624 -1.099) 11.154 7.473 ( 9.365 -4.106 -9.034) 13.644 8.441 ( 2.651 -2.105 1.137) 3.571 8.592 ( 2.350 0.129 1.818) 2.974 8.663 ( 0.315 3.734 3.160) 4.902 8.946 ( -4.838 3.796 -8.472) 10.469 9.619 ( -2.563 0.616 3.506) 4.387 9.895 ( -3.913 -1.741 6.528) 7.808 10.293 ( 4.356 0.708 -1.450) 4.646 10.482 ( -1.134 2.021 -0.227) 2.329 10.742 ( 3.291 -5.769 -3.523) 7.518 11.241 ( 4.156 -6.180 -5.255) 9.115 11.511 ( -2.271 6.743 -1.483) 7.268 11.712 ( -2.583 1.612 5.994) 6.723 19.377 ( 2.254 -5.073 0.454) 5.569 19.540 ( -0.067 2.117 -2.160) 3.025 19.837 ( 0.779 -3.933 1.521) 4.288 20.099 ( -0.876 -0.697 -1.493) 1.866 20.156 ( -7.657 -3.835 -2.825) 9.018 20.493 ( -11.481 -1.896 7.624) 13.912 20.628 ( 2.089 10.197 2.350) 10.671 21.355 ( 1.520 -0.027 4.608) 4.853 21.686 ( -0.262 -3.547 0.165) 3.561 22.206 ( 2.252 -2.844 1.012) 3.767 22.358 ( -4.176 1.953 -2.583) 5.284 22.688 ( 0.673 5.101 -0.467) 5.167 ======================= Grid point 76 (34/128) ======================= q-point: (-0.56 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 2.075 -2.229 -2.786) 4.128 1.942 ( -1.172 4.162 -1.591) 4.607 2.002 ( -1.618 -2.279 -9.871) 10.259 2.181 ( 5.369 4.347 1.920) 7.170 2.277 ( -0.125 4.473 -1.688) 4.782 2.344 ( -2.021 5.237 -1.543) 5.822 2.409 ( 2.797 -0.012 -3.547) 4.518 2.452 ( 3.701 6.591 -5.005) 9.066 2.599 ( -0.199 8.400 -6.614) 10.693 2.819 ( -4.101 -5.851 2.369) 7.528 2.888 ( -4.682 5.039 6.710) 9.609 3.049 ( -0.437 -7.154 -0.962) 7.232 3.148 ( 3.999 0.401 -5.958) 7.187 3.303 ( 3.547 3.994 -7.173) 8.943 3.514 ( 2.620 7.415 0.228) 7.867 3.601 ( -7.187 1.981 8.724) 11.475 3.702 ( -0.911 3.554 -5.290) 6.438 3.849 ( -1.656 0.394 5.940) 6.179 4.184 ( 1.122 1.332 2.035) 2.678 4.296 ( 0.881 -3.922 9.721) 10.519 4.477 ( -1.709 -3.228 -5.807) 6.860 4.554 ( 3.795 -1.227 0.800) 4.068 4.678 ( -2.472 -9.109 0.171) 9.440 4.830 ( -2.324 -2.902 -0.187) 3.723 4.909 ( -2.658 -9.706 2.142) 10.289 5.233 ( 0.012 -2.500 -2.968) 3.881 5.391 ( -1.077 -1.682 0.919) 2.198 5.529 ( 1.944 -1.590 -0.133) 2.515 5.636 ( 0.331 2.246 0.638) 2.358 5.880 ( 1.251 -13.395 -0.418) 13.459 5.959 ( -1.061 8.035 -0.839) 8.148 6.366 ( 1.883 -5.417 -3.101) 6.519 6.464 ( 1.663 3.309 -2.442) 4.436 6.575 ( -0.316 -0.023 0.097) 0.331 6.831 ( 1.651 10.763 -2.205) 11.110 7.483 ( 6.985 -3.938 -12.382) 14.752 8.480 ( 0.878 -3.609 -0.316) 3.728 8.611 ( -1.045 -1.122 1.838) 2.394 8.707 ( -1.739 3.998 0.144) 4.362 8.857 ( 3.292 5.341 -0.309) 6.282 9.646 ( -1.193 1.043 6.841) 7.022 9.915 ( -4.179 -1.846 7.968) 9.185 10.336 ( 1.549 -1.115 0.328) 1.937 10.488 ( 0.925 3.987 1.011) 4.215 10.784 ( 3.773 -5.989 0.282) 7.084 11.221 ( 1.091 -4.795 -4.517) 6.677 11.472 ( 1.527 6.492 -4.232) 7.898 11.726 ( -3.510 0.883 5.166) 6.308 19.402 ( 1.642 -4.445 -1.362) 4.931 19.505 ( -1.445 -2.386 -2.971) 4.075 19.906 ( 4.101 -3.993 4.246) 7.127 19.985 ( -4.900 0.320 -3.591) 6.083 20.112 ( -1.007 -3.902 2.096) 4.543 20.419 ( -6.920 0.704 5.463) 8.845 20.689 ( 0.982 10.003 3.601) 10.677 21.385 ( -2.023 0.047 0.678) 2.134 21.685 ( -0.155 -3.685 0.271) 3.699 22.239 ( -2.032 9.668 -1.426) 9.982 22.279 ( 1.799 -10.937 -1.286) 11.159 22.682 ( 0.031 5.178 -1.813) 5.486 ======================= Grid point 77 (35/128) ======================= q-point: (-0.44 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -10.678 5.271 -13.039) 17.659 1.717 ( -13.264 7.284 -12.559) 19.665 1.901 ( 0.937 -1.538 -5.754) 6.029 2.115 ( -6.680 5.006 -12.864) 15.335 2.233 ( -5.664 0.652 0.975) 5.784 2.329 ( 0.530 2.995 -5.348) 6.152 2.378 ( 2.458 0.320 -2.701) 3.666 2.526 ( 7.895 4.227 -2.983) 9.440 2.593 ( 4.454 8.110 4.335) 10.217 2.766 ( -4.230 -1.631 1.779) 4.870 2.890 ( -5.163 -1.847 -0.595) 5.516 3.000 ( 2.966 -4.047 -5.533) 7.469 3.110 ( 0.564 2.217 -9.590) 9.859 3.246 ( 0.408 4.243 -6.208) 7.531 3.559 ( -2.065 0.169 6.743) 7.054 3.623 ( 1.094 2.796 2.807) 4.110 3.735 ( 1.754 4.121 9.879) 10.847 3.820 ( -6.412 0.441 4.373) 7.774 4.226 ( -0.587 1.180 2.767) 3.064 4.360 ( -0.693 -7.431 -3.540) 8.260 4.430 ( 1.906 -2.273 3.574) 4.645 4.638 ( 3.158 1.216 1.686) 3.781 4.712 ( 3.767 -5.542 0.087) 6.702 4.816 ( 1.326 -2.615 -0.792) 3.037 4.881 ( -1.365 -9.585 -0.562) 9.698 5.228 ( 1.262 -0.968 1.460) 2.159 5.361 ( -1.149 -3.521 -2.170) 4.293 5.558 ( 0.185 -1.100 1.817) 2.132 5.620 ( -2.634 -0.632 -0.777) 2.818 5.855 ( -2.401 -8.826 -1.612) 9.287 5.933 ( -0.289 4.266 -1.395) 4.497 6.331 ( -0.996 -5.938 -4.322) 7.412 6.474 ( 2.602 5.788 -1.667) 6.561 6.567 ( -0.343 0.284 -0.556) 0.713 6.803 ( -0.317 10.302 -4.028) 11.065 7.417 ( 4.748 -4.657 -15.053) 16.456 8.457 ( -2.571 -2.768 -0.526) 3.814 8.620 ( -0.058 1.074 -0.339) 1.128 8.654 ( -3.464 3.637 2.075) 5.434 8.962 ( 5.742 1.636 0.971) 6.050 9.754 ( 0.497 0.885 12.951) 12.990 9.938 ( -3.939 -1.733 7.430) 8.587 10.371 ( 1.441 -0.706 2.147) 2.680 10.501 ( -1.880 3.957 1.452) 4.615 10.861 ( 3.377 -6.680 2.240) 7.813 11.200 ( 3.366 -3.868 -4.681) 6.943 11.453 ( 2.300 6.114 -4.921) 8.178 11.720 ( -3.590 -0.609 3.812) 5.272 19.400 ( -2.378 -5.375 -0.553) 5.903 19.430 ( 0.763 -0.732 -4.922) 5.034 19.895 ( -1.953 -0.044 -2.475) 3.153 20.064 ( 7.196 -3.006 5.504) 9.545 20.129 ( -1.020 -4.918 3.398) 6.064 20.393 ( -2.881 3.100 4.081) 5.879 20.746 ( -0.536 9.752 5.676) 11.296 21.303 ( -5.835 0.666 -3.094) 6.638 21.685 ( -0.264 -3.708 0.374) 3.736 22.160 ( -1.428 -2.524 -4.292) 5.179 22.341 ( 3.804 1.201 1.033) 4.121 22.647 ( -0.249 4.985 -3.595) 6.151 ======================= Grid point 78 (36/128) ======================= q-point: (-0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -12.666 9.120 -17.403) 23.377 1.298 ( -16.063 14.050 -14.573) 25.841 1.783 ( -15.772 11.491 -6.172) 20.466 1.852 ( -0.996 0.475 -9.010) 9.078 2.122 ( -4.742 -0.568 -0.045) 4.776 2.257 ( 0.507 -0.386 -6.705) 6.735 2.407 ( 2.914 3.307 -0.837) 4.487 2.614 ( 6.646 0.199 -2.574) 7.129 2.664 ( -2.890 -4.723 -9.151) 10.696 2.713 ( -3.557 3.868 2.235) 5.711 2.735 ( -6.213 0.790 -2.693) 6.818 2.968 ( 0.749 6.173 -5.866) 8.549 3.067 ( 7.250 -4.972 -1.264) 8.882 3.246 ( 0.677 1.709 3.187) 3.679 3.542 ( -10.720 1.252 0.435) 10.802 3.632 ( -0.386 6.532 9.061) 11.176 3.887 ( 4.511 -0.542 7.057) 8.393 3.936 ( 2.983 -2.168 13.539) 14.032 4.151 ( -3.080 -5.959 -8.365) 10.722 4.344 ( 0.218 0.082 2.252) 2.264 4.533 ( 2.489 -3.179 4.069) 5.732 4.676 ( 4.554 0.397 -4.655) 6.524 4.736 ( 0.490 -3.862 -4.084) 5.642 4.796 ( -0.566 -2.234 0.154) 2.309 4.943 ( 6.735 -3.851 2.079) 8.032 5.266 ( 0.011 0.797 -1.124) 1.378 5.339 ( -0.260 -9.634 2.627) 9.989 5.522 ( -6.292 -5.741 -1.579) 8.663 5.578 ( -0.622 -2.009 1.036) 2.344 5.803 ( -1.263 0.484 -1.415) 1.957 5.896 ( -2.334 -1.111 -1.833) 3.169 6.232 ( -3.607 -3.909 -5.588) 7.715 6.506 ( 2.477 8.999 -1.233) 9.415 6.563 ( 1.278 1.768 0.493) 2.236 6.748 ( -0.146 9.158 -3.945) 9.972 7.295 ( 3.242 -6.222 -16.935) 18.330 8.405 ( -3.505 -0.843 0.728) 3.678 8.576 ( -2.478 6.795 -1.157) 7.325 8.665 ( -0.916 -1.123 3.395) 3.691 9.031 ( 3.643 0.014 -2.617) 4.486 9.912 ( -5.400 -0.575 12.808) 13.912 10.003 ( 3.570 -2.008 11.047) 11.782 10.416 ( 1.577 1.230 -2.208) 2.979 10.477 ( -3.588 1.560 5.764) 6.967 10.930 ( 2.471 -7.238 0.655) 7.676 11.218 ( 4.961 -4.515 -4.956) 8.340 11.432 ( 1.079 6.496 -3.012) 7.242 11.693 ( -3.335 -2.953 0.781) 4.522 19.327 ( -3.072 -2.672 -0.360) 4.088 19.428 ( 3.045 1.334 -3.931) 5.149 19.852 ( -0.695 0.425 -1.549) 1.750 20.153 ( 0.074 -5.187 2.171) 5.624 20.239 ( 5.352 -1.449 5.262) 7.644 20.432 ( 1.599 2.781 5.240) 6.144 20.812 ( -1.975 9.266 9.728) 13.579 21.137 ( -7.640 1.422 -5.339) 9.429 21.683 ( -0.530 -3.695 0.397) 3.754 22.099 ( 0.110 -6.882 -4.458) 8.201 22.410 ( 2.687 5.693 0.716) 6.336 22.604 ( 1.748 5.620 -4.599) 7.469 ======================= Grid point 79 (37/128) ======================= q-point: (-0.22 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -11.655 16.101 -11.423) 22.925 0.911 ( -15.337 19.287 -5.283) 25.202 1.395 ( -21.657 19.724 -3.621) 29.516 1.783 ( 2.419 4.808 -4.035) 6.726 2.095 ( -0.200 -1.762 0.851) 1.966 2.185 ( 0.223 0.374 -7.498) 7.510 2.439 ( 0.381 -3.001 -0.307) 3.041 2.484 ( -3.465 -1.150 -7.767) 8.582 2.544 ( -5.193 -3.535 -4.872) 7.950 2.671 ( 0.129 -2.511 1.408) 2.881 2.740 ( 2.900 7.417 1.589) 8.121 2.921 ( 0.434 6.611 -3.218) 7.365 3.164 ( -9.112 1.115 2.580) 9.535 3.304 ( 9.375 -2.579 0.077) 9.724 3.459 ( -0.919 1.516 6.484) 6.722 3.705 ( -5.018 2.968 3.942) 7.037 3.935 ( 1.075 -4.217 -2.530) 5.034 4.091 ( 4.325 1.453 4.328) 6.289 4.149 ( 1.594 -6.601 8.571) 10.935 4.366 ( -1.965 1.011 2.961) 3.695 4.523 ( -2.634 -1.060 -1.616) 3.267 4.641 ( -3.509 0.331 -5.323) 6.384 4.780 ( 10.941 -3.468 -2.230) 11.692 4.855 ( 4.018 -1.019 4.646) 6.226 5.087 ( 6.579 -4.359 1.312) 8.000 5.212 ( -1.673 -2.214 -3.987) 4.858 5.343 ( -6.255 -9.753 3.326) 12.055 5.411 ( -3.243 -9.227 -1.217) 9.856 5.563 ( -2.999 -5.005 1.101) 5.938 5.771 ( -1.276 -0.309 -2.463) 2.792 5.822 ( -2.386 2.577 -1.508) 3.822 6.102 ( -4.091 -0.411 -4.956) 6.440 6.519 ( 1.906 2.802 -1.556) 3.729 6.652 ( 5.841 12.777 4.594) 14.781 6.713 ( 0.520 7.215 -2.555) 7.671 7.129 ( 1.813 -7.417 -18.693) 20.192 8.366 ( -2.748 1.002 1.693) 3.379 8.538 ( 0.551 9.979 -1.707) 10.139 8.688 ( -0.826 -0.916 3.317) 3.539 9.025 ( 1.174 0.105 -4.708) 4.853 9.913 ( -5.787 -0.294 5.966) 8.317 10.232 ( 2.227 -6.151 14.005) 15.458 10.368 ( -0.356 2.427 -3.269) 4.087 10.522 ( -2.147 -2.585 6.011) 6.887 10.947 ( 0.828 -7.168 -2.434) 7.615 11.209 ( 2.403 -6.080 -9.189) 11.277 11.429 ( -0.515 4.624 1.412) 4.862 11.617 ( -3.331 -2.266 -4.036) 5.703 19.326 ( 2.295 3.090 2.484) 4.581 19.420 ( 1.385 2.743 -4.067) 5.097 19.831 ( -0.747 0.868 -0.042) 1.146 20.181 ( 1.678 -4.496 -0.035) 4.799 20.349 ( 3.732 2.595 1.051) 4.666 20.570 ( 3.829 -0.297 9.861) 10.582 20.925 ( -5.160 4.300 13.666) 15.228 20.960 ( -4.854 3.396 1.766) 6.182 21.679 ( -0.583 -3.506 0.478) 3.586 22.052 ( 0.200 -9.302 -4.356) 10.273 22.415 ( -0.797 6.015 -2.379) 6.517 22.642 ( 8.575 10.749 -2.251) 13.933 ======================= Grid point 80 (38/128) ======================= q-point: (-0.11 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -3.747 18.817 18.512) 26.661 0.677 ( -14.663 18.744 6.070) 24.559 1.071 ( -13.343 35.522 4.300) 38.188 1.845 ( 4.424 2.462 2.602) 5.693 2.076 ( 1.164 0.352 -11.147) 11.214 2.126 ( 1.212 1.852 3.079) 3.792 2.336 ( -3.207 -3.023 -2.421) 5.028 2.484 ( 1.747 -3.623 1.547) 4.309 2.498 ( 0.270 -7.366 1.996) 7.637 2.687 ( -2.972 -0.810 5.265) 6.100 2.824 ( 4.418 7.495 1.377) 8.809 2.910 ( -0.202 11.848 -1.875) 11.997 2.999 ( -5.211 2.909 -0.296) 5.975 3.355 ( -0.944 -0.986 -9.655) 9.751 3.536 ( -7.144 -1.266 6.957) 10.052 3.615 ( 2.716 0.728 -1.325) 3.109 4.003 ( 3.159 -3.293 1.745) 4.885 4.177 ( 2.396 1.115 -1.440) 3.010 4.233 ( -2.411 -5.214 6.685) 8.814 4.347 ( -1.960 2.422 1.369) 3.403 4.456 ( -3.746 -2.665 -3.113) 5.552 4.571 ( 1.894 2.804 -2.595) 4.264 4.898 ( 5.414 -7.447 -2.663) 9.584 5.005 ( 1.019 -4.188 -0.980) 4.420 5.072 ( -0.537 -9.326 6.631) 11.456 5.231 ( 0.443 -2.852 2.278) 3.677 5.261 ( -2.735 -7.300 1.474) 7.934 5.373 ( -1.825 -9.178 1.731) 9.516 5.506 ( -5.746 -5.679 2.271) 8.392 5.697 ( -1.757 -3.212 -2.305) 4.327 5.821 ( 2.863 6.865 -1.053) 7.512 5.991 ( -3.623 4.695 -2.572) 6.464 6.545 ( 2.573 0.581 -0.119) 2.640 6.687 ( 0.075 4.204 -4.682) 6.293 6.849 ( 9.598 11.690 -2.522) 15.334 6.935 ( 0.830 -1.449 -8.016) 8.188 8.351 ( -1.712 1.763 1.694) 2.985 8.546 ( 5.604 10.096 -9.768) 15.125 8.740 ( 2.365 5.155 2.006) 6.016 9.026 ( 5.155 0.056 5.544) 7.570 9.872 ( -5.135 0.285 2.431) 5.689 10.259 ( -1.178 -3.165 -4.220) 5.405 10.403 ( -13.604 -12.269 4.055) 18.762 10.488 ( -2.513 -6.836 5.790) 9.305 10.884 ( -4.306 0.553 -5.531) 7.031 11.073 ( 1.393 -6.244 -12.298) 13.862 11.407 ( -0.631 5.010 -1.470) 5.259 11.568 ( -1.067 6.056 3.677) 7.165 19.372 ( 0.886 6.417 -5.967) 8.808 19.472 ( 8.254 3.789 4.450) 10.114 19.823 ( -1.226 0.935 1.355) 2.053 20.200 ( 2.464 -3.451 -2.840) 5.104 20.386 ( 2.873 4.177 -4.290) 6.641 20.750 ( 2.092 0.126 10.157) 10.371 20.810 ( -3.546 1.809 -2.839) 4.890 21.224 ( -7.065 -18.111 36.093) 40.995 21.679 ( 0.324 -2.410 0.208) 2.441 22.002 ( 0.075 -8.922 -2.933) 9.392 22.370 ( 0.318 7.718 -2.636) 8.162 22.830 ( 16.182 11.589 -2.909) 20.115 ======================= Grid point 81 (39/128) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -3.250 21.075 3.498) 21.609 1.206 ( 2.206 15.711 21.551) 26.762 1.781 ( 3.896 14.325 10.547) 18.211 1.884 ( 0.844 0.837 -0.491) 1.286 2.034 ( -3.040 2.656 -2.975) 5.014 2.205 ( 4.897 -1.640 1.003) 5.260 2.310 ( -0.036 -4.561 4.515) 6.418 2.411 ( 6.686 4.060 3.849) 8.718 2.550 ( 0.593 4.732 4.028) 6.242 2.651 ( -2.069 -0.415 4.241) 4.737 3.016 ( 1.758 4.663 -1.566) 5.224 3.109 ( 2.741 9.431 2.650) 10.173 3.200 ( -6.108 0.996 -3.467) 7.093 3.289 ( 5.662 13.226 2.791) 14.655 3.489 ( -5.325 -2.836 4.197) 7.349 3.658 ( -0.392 5.056 -2.966) 5.875 3.983 ( -5.253 3.576 -4.616) 7.854 4.070 ( -2.538 -3.073 -3.676) 5.422 4.185 ( -0.681 -2.635 2.317) 3.574 4.294 ( -2.493 -3.347 -4.497) 6.135 4.386 ( 0.784 -1.477 1.043) 1.971 4.608 ( -3.068 -6.162 -1.758) 7.104 4.679 ( 8.845 -8.686 -3.155) 12.792 4.837 ( 1.522 -8.474 -1.134) 8.684 5.037 ( -2.315 -5.891 4.864) 7.983 5.150 ( -1.744 -1.666 3.286) 4.076 5.192 ( 2.203 -4.147 1.523) 4.936 5.237 ( -3.172 -4.688 -2.808) 6.318 5.408 ( 1.736 -3.443 4.643) 6.035 5.572 ( 2.343 -7.608 1.344) 8.074 6.046 ( 4.932 6.667 -1.382) 8.407 6.083 ( -0.739 6.163 0.643) 6.241 6.608 ( -0.308 1.800 1.033) 2.099 6.679 ( 5.202 2.766 -6.427) 8.718 6.881 ( 1.597 3.477 -1.773) 4.217 7.035 ( 3.776 -4.137 0.330) 5.611 8.405 ( -1.646 3.526 2.803) 4.796 8.554 ( 0.568 0.771 -4.718) 4.814 8.833 ( -2.118 6.174 -4.600) 7.986 9.194 ( 4.411 -7.122 4.189) 9.366 9.835 ( -4.156 2.661 -1.353) 5.117 9.994 ( -9.706 -1.563 2.151) 10.064 10.219 ( 3.941 0.734 -3.322) 5.206 10.487 ( 1.020 -4.022 6.477) 7.692 10.795 ( -1.645 0.076 -9.009) 9.158 10.925 ( 4.643 -5.436 -6.710) 9.805 11.568 ( 0.476 5.686 5.811) 8.144 11.691 ( -1.934 2.750 5.194) 6.187 19.415 ( -2.637 4.370 -0.341) 5.116 19.651 ( 4.754 -0.453 -2.985) 5.632 19.827 ( -1.893 1.943 1.658) 3.179 20.133 ( 2.971 -3.926 -4.908) 6.952 20.477 ( 1.107 5.684 -1.455) 5.970 20.786 ( -1.866 -1.483 -0.602) 2.458 20.836 ( -9.016 1.039 7.558) 11.811 21.001 ( -7.089 -2.918 9.262) 12.023 21.646 ( 0.280 -1.633 -0.143) 1.663 21.857 ( 3.289 -8.744 0.061) 9.343 22.550 ( 2.029 8.005 0.480) 8.272 22.928 ( 0.703 -2.809 -4.832) 5.634 ======================= Grid point 82 (40/128) ======================= q-point: ( 0.11 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 8.375 17.506 3.208) 19.669 1.527 ( 4.543 11.321 21.915) 25.082 1.873 ( -4.281 -4.188 3.659) 7.018 1.939 ( 6.836 3.574 -4.017) 8.697 2.087 ( 6.366 12.215 11.414) 17.889 2.323 ( 3.520 -0.141 6.170) 7.105 2.352 ( 3.506 -0.949 -1.927) 4.112 2.529 ( 2.176 0.690 1.814) 2.916 2.632 ( 2.391 8.452 6.216) 10.760 2.741 ( 3.493 -0.762 8.201) 8.946 3.015 ( -0.537 5.519 -3.554) 6.586 3.070 ( -2.892 9.745 0.645) 10.185 3.232 ( 0.872 3.712 5.555) 6.737 3.368 ( 3.092 8.133 2.741) 9.122 3.423 ( -6.741 0.327 3.011) 7.390 3.644 ( -0.023 0.503 0.045) 0.506 3.832 ( -0.111 7.137 -6.207) 9.459 3.966 ( -5.698 -0.521 -4.656) 7.377 4.145 ( -6.673 -5.390 0.831) 8.618 4.210 ( 0.997 -2.287 -7.372) 7.783 4.415 ( 1.021 -4.978 1.152) 5.211 4.592 ( 0.220 -9.061 0.446) 9.074 4.750 ( 3.804 -9.156 -4.042) 10.707 4.883 ( 6.452 -4.264 -2.510) 8.131 4.980 ( -9.094 -6.125 3.895) 11.636 5.130 ( -4.757 -4.760 1.184) 6.833 5.218 ( 2.824 -1.488 1.312) 3.451 5.249 ( 2.186 -4.988 1.064) 5.549 5.491 ( 2.221 -3.026 3.297) 4.996 5.646 ( 3.649 -7.750 1.123) 8.639 6.066 ( -0.556 7.109 0.618) 7.157 6.135 ( 4.621 2.861 0.798) 5.493 6.607 ( 0.076 3.245 0.546) 3.292 6.690 ( 2.516 5.526 -6.210) 8.685 6.891 ( 1.958 5.876 -0.385) 6.206 7.132 ( 8.277 -6.763 -0.674) 10.710 8.407 ( -1.689 3.434 2.206) 4.417 8.529 ( 1.972 1.706 -2.458) 3.584 8.759 ( -2.304 6.160 -1.068) 6.663 9.215 ( -2.939 -7.120 -0.666) 7.732 9.743 ( -3.658 2.460 -2.583) 5.109 9.900 ( -4.806 -1.908 1.303) 5.332 10.283 ( 6.349 3.493 -3.531) 8.061 10.540 ( -1.800 -1.936 2.683) 3.766 10.694 ( 1.376 -2.383 -7.732) 8.207 10.948 ( 7.937 -8.479 -5.709) 12.941 11.649 ( -0.248 3.974 6.889) 7.957 11.702 ( -3.283 3.551 4.136) 6.363 19.364 ( -3.386 3.826 0.400) 5.125 19.651 ( 1.656 -1.760 -5.252) 5.781 19.802 ( -4.907 1.571 4.050) 6.554 20.106 ( -0.036 -3.922 -3.469) 5.236 20.455 ( -1.451 4.496 -3.558) 5.914 20.674 ( -14.389 -5.828 6.123) 16.688 20.759 ( -1.615 7.625 0.217) 7.797 21.090 ( 2.611 -1.368 8.172) 8.687 21.647 ( 0.024 -0.903 0.103) 0.909 21.916 ( 3.323 -9.704 0.161) 10.259 22.593 ( 1.224 7.049 1.357) 7.282 22.841 ( -3.271 0.792 -4.238) 5.412 ======================= Grid point 83 (41/128) ======================= q-point: ( 0.22 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 14.396 10.634 1.743) 17.983 1.826 ( 4.353 3.738 13.214) 14.406 1.852 ( -3.046 0.721 6.587) 7.293 2.049 ( 10.766 2.912 -2.077) 11.345 2.312 ( 4.205 -3.523 6.231) 8.302 2.375 ( 5.080 7.470 -1.850) 9.221 2.448 ( 3.929 3.869 3.203) 6.376 2.551 ( -1.192 2.418 1.005) 2.877 2.768 ( 3.539 8.347 5.229) 10.466 2.866 ( 0.888 -0.770 3.991) 4.161 2.932 ( -3.623 3.842 -2.454) 5.823 3.060 ( -1.149 13.172 0.831) 13.248 3.254 ( -0.307 -1.279 4.042) 4.251 3.371 ( -3.522 10.143 1.836) 10.893 3.543 ( 5.665 1.761 7.819) 9.815 3.626 ( -0.733 -3.434 3.454) 4.926 3.793 ( -4.135 3.806 -6.904) 8.903 3.836 ( -1.400 5.108 1.768) 5.583 4.062 ( -1.433 -8.292 -3.109) 8.971 4.140 ( 1.595 0.374 -5.218) 5.469 4.433 ( 0.584 -3.546 -0.451) 3.622 4.590 ( -1.282 -13.885 0.005) 13.944 4.713 ( -2.307 -4.254 -4.603) 6.679 4.866 ( -9.098 -5.992 3.452) 11.428 4.903 ( -0.610 -1.774 -4.094) 4.503 5.125 ( 1.340 -5.530 2.627) 6.267 5.270 ( 3.743 -6.155 0.016) 7.204 5.308 ( 2.854 -2.536 1.048) 3.960 5.552 ( 1.484 -2.972 1.733) 3.747 5.694 ( 1.027 -7.975 0.190) 8.043 6.076 ( 0.353 7.021 1.458) 7.180 6.219 ( 4.065 -0.169 0.886) 4.164 6.606 ( -1.268 2.585 -1.038) 3.060 6.631 ( 0.391 6.046 -5.194) 7.980 6.938 ( 4.138 7.290 -0.683) 8.411 7.269 ( 9.825 -6.588 -2.768) 12.148 8.409 ( -0.436 2.283 1.475) 2.753 8.549 ( 1.772 -0.370 -0.349) 1.844 8.739 ( -0.554 6.856 1.747) 7.097 9.123 ( -4.160 -2.928 -3.968) 6.452 9.670 ( -2.850 2.421 -0.200) 3.745 9.857 ( -3.500 -2.509 2.878) 5.180 10.313 ( 3.359 3.880 -4.586) 6.883 10.529 ( -0.189 0.121 -0.106) 0.248 10.642 ( 1.930 -3.623 -5.808) 7.112 11.037 ( 8.273 -9.366 -3.950) 13.106 11.675 ( -3.741 4.132 2.270) 6.019 11.716 ( -1.813 2.660 6.269) 7.047 19.319 ( -2.718 1.023 0.813) 3.015 19.599 ( 0.296 -2.764 -6.020) 6.631 19.771 ( -6.140 0.356 6.669) 9.072 20.062 ( -2.155 -4.445 -0.487) 4.963 20.334 ( -5.799 2.595 -5.276) 8.258 20.529 ( -10.212 -4.326 4.434) 11.944 20.786 ( 2.941 11.011 1.047) 11.445 21.231 ( 3.387 -1.683 6.603) 7.609 21.648 ( -0.031 -0.471 -0.085) 0.479 21.969 ( 3.146 -10.367 -0.069) 10.834 22.594 ( -2.594 7.304 -0.318) 7.758 22.764 ( -1.069 2.131 -1.513) 2.824 ======================= Grid point 84 (42/128) ======================= q-point: ( 0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 12.513 4.264 0.008) 13.219 1.894 ( 1.551 -1.821 4.475) 5.075 1.988 ( 1.054 2.034 4.709) 5.237 2.212 ( 7.351 -1.430 -0.694) 7.521 2.350 ( 4.684 2.907 -3.665) 6.620 2.481 ( 1.200 2.453 1.625) 3.178 2.530 ( 1.780 12.249 2.607) 12.650 2.540 ( 3.773 3.917 -2.756) 6.097 2.778 ( -6.153 3.543 -1.122) 7.189 2.835 ( -1.998 2.065 -1.855) 3.420 2.891 ( -0.980 -0.721 2.226) 2.537 3.054 ( -2.912 6.747 -0.047) 7.349 3.283 ( -2.509 7.936 0.811) 8.362 3.363 ( 4.603 3.855 -3.695) 7.050 3.608 ( -4.688 -0.652 7.543) 8.905 3.691 ( 0.955 5.012 -3.251) 6.050 3.772 ( 3.605 2.854 6.911) 8.301 3.826 ( -0.345 2.182 -2.025) 2.997 4.025 ( 0.399 -8.945 3.136) 9.487 4.198 ( 5.685 3.886 2.108) 7.202 4.430 ( 0.518 -4.146 -1.654) 4.494 4.529 ( -4.691 -9.793 -2.264) 11.092 4.597 ( -5.348 -3.388 -1.588) 6.528 4.742 ( -6.791 -8.752 -0.376) 11.084 4.852 ( -1.973 -0.804 -0.580) 2.208 5.160 ( 0.006 -3.663 0.727) 3.734 5.352 ( 0.896 -2.556 1.569) 3.130 5.363 ( 7.748 -9.337 -1.983) 12.294 5.579 ( 0.406 -4.055 0.176) 4.079 5.690 ( -1.296 -6.816 0.063) 6.938 6.102 ( 0.720 6.169 0.958) 6.284 6.278 ( 2.005 -2.111 0.018) 2.911 6.550 ( 0.282 3.855 -4.131) 5.657 6.600 ( -0.591 1.895 -1.403) 2.431 6.997 ( 4.197 8.098 -1.830) 9.303 7.369 ( 8.219 -5.967 -6.330) 11.967 8.425 ( 0.565 0.629 0.719) 1.110 8.569 ( 0.164 -2.005 0.953) 2.225 8.775 ( 0.962 6.661 3.099) 7.409 9.005 ( -3.216 1.447 -4.656) 5.841 9.647 ( -1.867 2.377 2.973) 4.240 9.849 ( -3.217 -2.817 5.196) 6.730 10.310 ( 1.598 1.363 -2.087) 2.960 10.537 ( 1.924 0.609 -1.155) 2.325 10.635 ( 3.321 -1.551 -2.569) 4.476 11.102 ( 5.081 -8.033 -4.068) 10.339 11.631 ( -2.845 5.076 0.046) 5.819 11.743 ( -3.155 1.139 5.248) 6.228 19.297 ( -0.777 -2.446 0.429) 2.602 19.522 ( -0.921 -5.180 -6.203) 8.134 19.763 ( -6.057 -0.353 9.347) 11.144 20.028 ( -3.107 -5.154 2.134) 6.385 20.186 ( -3.746 4.569 -5.115) 7.815 20.441 ( -5.196 -3.188 2.234) 6.492 20.853 ( 2.466 11.935 2.069) 12.362 21.340 ( 1.890 -1.937 3.896) 4.744 21.644 ( -0.023 -0.305 -0.392) 0.497 22.016 ( 2.850 -11.546 -0.655) 11.911 22.516 ( -4.142 8.989 -1.795) 10.059 22.756 ( 0.318 1.561 -0.404) 1.644 ======================= Grid point 85 (43/128) ======================= q-point: (-0.56 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 4.740 2.517 0.218) 5.371 1.939 ( -4.634 -0.665 -0.085) 4.682 1.998 ( 3.728 -0.508 -5.681) 6.814 2.231 ( 0.369 -1.880 -1.201) 2.261 2.357 ( -2.071 3.489 -3.923) 5.644 2.476 ( 1.406 6.748 -7.668) 10.311 2.560 ( -0.861 14.692 3.048) 15.029 2.601 ( 7.687 7.701 -8.484) 13.797 2.666 ( -3.902 -6.452 3.589) 8.351 2.757 ( -1.612 3.554 -6.132) 7.269 2.916 ( -0.643 -4.353 1.684) 4.711 2.992 ( -3.537 4.800 1.474) 6.142 3.242 ( 1.934 8.411 -4.321) 9.651 3.358 ( 3.400 2.001 -7.774) 8.717 3.588 ( -4.809 0.415 -1.627) 5.094 3.674 ( -0.110 3.223 2.314) 3.969 3.826 ( -0.411 8.262 2.585) 8.667 3.838 ( -3.220 -1.436 2.793) 4.498 4.128 ( 0.503 -7.841 8.816) 11.809 4.312 ( 0.758 6.858 3.247) 7.625 4.383 ( -0.196 -6.596 -3.299) 7.378 4.471 ( 0.989 -5.142 1.371) 5.413 4.555 ( -1.307 -3.072 4.817) 5.860 4.672 ( -1.307 -10.845 -0.201) 10.925 4.817 ( -0.803 -0.219 -1.358) 1.593 5.151 ( -0.516 -3.439 -0.970) 3.610 5.368 ( -0.335 -2.096 0.607) 2.208 5.460 ( 6.554 -10.680 -2.507) 12.779 5.564 ( -1.909 -4.939 -0.745) 5.347 5.664 ( -1.531 -5.865 -0.189) 6.064 6.110 ( -0.338 5.833 -0.526) 5.866 6.282 ( -0.213 -3.043 -1.467) 3.385 6.538 ( 2.852 3.754 -2.293) 5.242 6.580 ( 0.123 0.722 -1.080) 1.305 7.019 ( 2.196 7.779 -3.863) 8.959 7.383 ( 5.279 -5.712 -10.217) 12.840 8.438 ( 0.080 -0.261 0.374) 0.463 8.580 ( -0.615 -2.126 1.789) 2.846 8.806 ( -1.314 5.503 0.783) 5.712 8.945 ( 1.091 2.936 -1.055) 3.305 9.680 ( -0.735 2.401 6.430) 6.903 9.867 ( -3.246 -2.849 6.776) 8.035 10.325 ( 1.355 0.566 0.615) 1.592 10.568 ( 1.802 0.318 0.939) 2.057 10.677 ( 3.404 -0.607 -0.514) 3.495 11.113 ( 2.869 -6.321 -4.585) 8.319 11.590 ( -0.727 5.087 -1.831) 5.455 11.737 ( -4.064 -0.075 3.903) 5.635 19.301 ( 0.335 -4.463 0.393) 4.493 19.432 ( -0.381 -6.050 -6.344) 8.774 19.787 ( -5.509 -2.077 10.528) 12.062 20.013 ( -2.585 -4.809 3.490) 6.480 20.111 ( 1.392 6.715 -3.846) 7.862 20.408 ( -1.959 -1.952 1.978) 3.400 20.909 ( 0.795 11.657 2.978) 12.057 21.373 ( -1.369 -1.609 0.753) 2.243 21.639 ( 0.097 -0.494 -0.543) 0.740 22.033 ( 0.945 -12.418 -2.559) 12.714 22.452 ( -0.681 10.135 -1.022) 10.209 22.746 ( -0.156 1.144 -1.698) 2.053 ======================= Grid point 86 (44/128) ======================= q-point: (-0.44 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -5.360 9.179 -9.443) 14.218 1.809 ( -6.952 2.300 -0.791) 7.365 1.916 ( -6.059 1.798 -3.456) 7.203 2.198 ( -3.540 0.641 -7.435) 8.260 2.266 ( 1.312 3.607 -8.154) 9.012 2.354 ( 1.088 -0.077 -5.518) 5.625 2.451 ( -9.185 2.216 -6.643) 11.551 2.638 ( 5.291 8.377 -5.081) 11.135 2.686 ( 3.927 0.860 -3.250) 5.170 2.781 ( 6.568 6.146 0.909) 9.041 2.853 ( -4.316 -2.534 -3.622) 6.178 2.974 ( -1.642 1.688 1.625) 2.862 3.210 ( 0.919 6.549 -8.514) 10.781 3.328 ( 0.772 4.670 -4.877) 6.796 3.535 ( 2.364 -2.030 1.079) 3.298 3.681 ( -7.306 1.874 4.912) 9.001 3.768 ( -5.457 -1.988 4.805) 7.537 3.857 ( 0.252 4.279 5.028) 6.607 4.202 ( -1.818 -6.830 1.005) 7.139 4.293 ( -1.396 2.664 4.679) 5.562 4.405 ( 1.497 2.533 1.381) 3.250 4.553 ( 0.731 -13.199 1.523) 13.307 4.616 ( 4.400 -4.162 2.046) 6.393 4.695 ( 1.994 -2.993 2.485) 4.372 4.809 ( 2.649 0.176 -1.441) 3.021 5.142 ( 0.209 -3.509 0.576) 3.562 5.355 ( -1.339 -0.168 -0.671) 1.507 5.469 ( -3.288 -13.635 -3.248) 14.397 5.540 ( 1.375 -1.368 -0.495) 2.002 5.643 ( 0.254 -8.198 -1.112) 8.277 6.076 ( -1.782 6.254 -2.070) 6.825 6.245 ( -1.253 -2.783 -2.575) 3.993 6.574 ( 0.630 0.900 -1.507) 1.865 6.590 ( 5.175 4.711 -0.233) 7.002 6.979 ( 0.253 7.149 -5.800) 9.209 7.308 ( 2.250 -5.712 -12.891) 14.278 8.433 ( -1.410 0.444 0.742) 1.654 8.593 ( -0.318 -2.382 1.846) 3.030 8.769 ( -2.612 6.332 0.049) 6.850 8.986 ( 3.031 0.323 -0.073) 3.049 9.778 ( 0.280 1.453 10.839) 10.939 9.896 ( -3.006 -2.345 6.869) 7.856 10.372 ( 1.801 1.153 2.768) 3.498 10.590 ( -1.386 2.931 0.751) 3.328 10.732 ( 2.550 -3.830 1.851) 4.960 11.104 ( 3.108 -5.952 -5.027) 8.388 11.564 ( 0.597 4.707 -2.656) 5.438 11.703 ( -4.188 -1.060 2.147) 4.824 19.295 ( -1.677 -4.005 0.420) 4.363 19.399 ( 4.916 -3.599 -5.163) 7.986 19.810 ( -4.253 -2.954 6.896) 8.624 20.024 ( -1.632 -5.279 3.921) 6.775 20.150 ( 5.673 6.871 0.384) 8.919 20.420 ( 0.050 -0.435 2.760) 2.795 20.950 ( -1.002 10.353 4.474) 11.323 21.311 ( -5.097 -0.303 -2.027) 5.494 21.634 ( 0.137 -0.968 -0.680) 1.191 21.989 ( -0.734 -10.910 -4.430) 11.798 22.476 ( 3.598 8.363 0.172) 9.106 22.713 ( 0.047 1.480 -3.392) 3.701 ======================= Grid point 87 (45/128) ======================= q-point: (-0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -8.338 15.144 -14.334) 22.458 1.565 ( -16.859 12.099 -3.388) 21.026 1.869 ( -1.306 0.658 2.070) 2.534 2.006 ( -4.343 7.843 -11.485) 14.570 2.166 ( -3.910 4.651 -5.775) 8.383 2.224 ( -4.642 -4.204 -5.071) 8.059 2.376 ( 3.183 -6.459 -6.204) 9.505 2.574 ( 1.076 -3.649 -9.925) 10.629 2.687 ( -0.647 9.089 -3.254) 9.676 2.734 ( -3.214 2.921 -5.748) 7.204 2.902 ( -0.006 10.455 3.687) 11.086 3.004 ( 7.893 -1.640 -2.329) 8.392 3.129 ( 2.161 9.151 -3.330) 9.975 3.262 ( -4.575 1.195 0.747) 4.787 3.530 ( -7.162 -2.766 -1.419) 7.808 3.681 ( 3.842 -2.353 7.384) 8.650 3.824 ( -1.410 -4.269 9.178) 10.220 3.974 ( 3.784 4.793 7.943) 10.019 4.103 ( -4.420 2.139 -3.862) 6.247 4.372 ( -0.530 0.356 6.732) 6.762 4.447 ( 1.080 -2.874 1.763) 3.540 4.531 ( -0.459 -15.249 -2.406) 15.444 4.693 ( 4.343 -1.298 -2.624) 5.237 4.757 ( 2.771 -0.510 0.586) 2.878 4.885 ( 6.151 -1.732 1.241) 6.510 5.163 ( -1.355 -5.028 3.249) 6.138 5.303 ( -2.837 1.411 -2.382) 3.964 5.351 ( -5.212 -10.297 -2.986) 11.921 5.528 ( -1.859 -2.871 -1.015) 3.568 5.651 ( 1.913 -9.865 -1.644) 10.182 6.015 ( -1.830 6.889 -2.699) 7.621 6.185 ( -1.829 -1.195 -3.044) 3.746 6.559 ( 0.669 1.614 -2.665) 3.187 6.697 ( 6.672 5.088 1.274) 8.487 6.911 ( -0.064 6.807 -5.269) 8.608 7.164 ( -0.267 -5.753 -14.197) 15.320 8.416 ( -2.117 1.804 1.618) 3.218 8.610 ( 0.155 -2.736 0.967) 2.906 8.738 ( -1.842 7.407 1.496) 7.778 9.021 ( 2.374 -1.301 -1.803) 3.253 9.900 ( -4.075 -0.505 10.057) 10.863 9.956 ( 1.633 -2.403 9.599) 10.029 10.435 ( 1.692 1.259 1.817) 2.784 10.535 ( -4.836 3.173 -0.301) 5.792 10.799 ( 2.291 -4.700 2.155) 5.655 11.095 ( 2.298 -7.688 -4.770) 9.335 11.544 ( 0.121 4.548 -1.898) 4.930 11.654 ( -3.103 -0.811 0.260) 3.218 19.294 ( 1.130 -0.318 1.499) 1.904 19.441 ( 5.812 -0.826 -3.955) 7.079 19.814 ( -2.213 -1.915 3.244) 4.370 20.048 ( 0.712 -5.445 1.732) 5.758 20.281 ( 5.947 4.663 4.121) 8.607 20.474 ( 1.590 0.718 4.328) 4.666 20.986 ( -2.718 7.945 7.009) 10.938 21.172 ( -7.212 1.704 -3.485) 8.189 21.628 ( 0.156 -1.413 -0.791) 1.627 21.924 ( -0.360 -9.586 -4.712) 10.688 22.542 ( 3.090 6.386 -0.457) 7.109 22.691 ( 3.479 2.619 -3.519) 5.599 ======================= Grid point 88 (46/128) ======================= q-point: (-0.22 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -7.286 20.166 -7.073) 22.578 1.265 ( -15.859 16.702 0.051) 23.032 1.790 ( -4.220 14.541 -9.274) 17.756 1.886 ( -2.563 3.257 3.562) 5.465 2.067 ( -1.848 -1.392 0.392) 2.346 2.168 ( 2.757 -3.437 -5.242) 6.848 2.276 ( -1.949 -9.432 -7.580) 12.256 2.490 ( -5.470 3.709 -5.719) 8.740 2.604 ( 1.901 0.050 -2.469) 3.116 2.636 ( -3.909 8.180 -2.791) 9.486 2.954 ( 5.608 13.287 -1.058) 14.460 3.035 ( -0.332 3.908 1.782) 4.308 3.180 ( -6.146 -0.444 -0.021) 6.162 3.286 ( 10.177 2.615 2.047) 10.705 3.450 ( -0.397 -3.057 1.012) 3.244 3.753 ( -7.457 -0.018 2.921) 8.009 3.877 ( 2.429 -1.957 2.651) 4.094 4.057 ( -0.051 1.169 7.111) 7.207 4.145 ( 4.446 2.271 4.246) 6.554 4.393 ( -2.633 0.444 1.834) 3.240 4.462 ( -1.784 -4.819 2.082) 5.544 4.524 ( 2.331 -12.694 -2.754) 13.197 4.718 ( 4.268 -1.827 -3.612) 5.882 4.820 ( 4.491 -2.239 1.188) 5.156 4.988 ( 2.418 -4.372 -0.957) 5.086 5.134 ( -4.410 -6.688 1.730) 8.196 5.224 ( -2.568 -0.058 -2.198) 3.381 5.261 ( -2.719 -4.307 -0.048) 5.094 5.466 ( -3.626 -5.115 -1.536) 6.456 5.635 ( -1.579 -8.928 -2.060) 9.298 5.973 ( 0.879 7.744 -2.393) 8.153 6.125 ( -1.163 1.624 -2.426) 3.143 6.544 ( 1.463 1.882 -2.350) 3.348 6.821 ( 6.295 2.464 -0.689) 6.795 6.866 ( -0.472 5.928 -1.615) 6.162 6.986 ( -0.624 -4.389 -12.583) 13.341 8.404 ( -1.993 2.728 2.235) 4.050 8.616 ( 0.508 -2.390 -1.124) 2.689 8.767 ( 2.410 8.283 3.856) 9.450 9.020 ( 1.115 -0.781 -3.121) 3.405 9.914 ( -4.351 0.552 5.697) 7.190 10.108 ( -0.112 -5.889 10.987) 12.466 10.418 ( -1.562 2.117 -4.060) 4.838 10.457 ( -6.262 -2.730 0.873) 6.887 10.853 ( 2.424 -2.460 0.848) 3.556 11.053 ( -0.352 -8.087 -5.799) 9.957 11.521 ( -1.182 4.546 -0.276) 4.706 11.626 ( -0.749 1.480 1.066) 1.971 19.375 ( 3.873 2.247 4.456) 6.317 19.483 ( 5.636 2.466 -5.003) 7.929 19.818 ( -0.989 -0.794 1.949) 2.325 20.087 ( 3.701 -5.180 -1.537) 6.550 20.407 ( 3.398 3.484 3.135) 5.789 20.581 ( 3.286 0.044 6.977) 7.712 21.000 ( -7.120 3.992 1.920) 8.386 21.041 ( -4.642 3.883 5.927) 8.470 21.624 ( 0.552 -1.703 -0.591) 1.885 21.868 ( -0.036 -8.940 -4.279) 9.911 22.543 ( 0.443 6.482 -2.674) 7.026 22.771 ( 8.565 2.214 -1.296) 8.941 ======================= Grid point 89 (47/128) ======================= q-point: (-0.11 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -2.684 20.782 9.553) 23.029 1.058 ( -11.941 19.508 3.983) 23.216 1.681 ( -1.205 18.242 0.827) 18.300 1.890 ( -0.737 2.612 0.623) 2.784 2.081 ( -1.056 -9.152 3.494) 9.853 2.157 ( 4.289 3.391 -6.987) 8.872 2.241 ( 1.895 -3.743 2.556) 4.913 2.349 ( -3.719 2.787 -0.652) 4.692 2.550 ( -2.238 6.259 -1.519) 6.819 2.639 ( 0.697 -1.313 1.445) 2.073 3.016 ( 0.063 6.458 0.987) 6.533 3.062 ( 0.958 5.257 -0.560) 5.373 3.146 ( 4.747 11.839 2.377) 12.975 3.330 ( -1.712 -1.477 -4.283) 4.843 3.530 ( -2.289 -1.098 4.016) 4.751 3.651 ( 0.144 4.042 0.191) 4.050 3.963 ( 3.119 -1.795 2.823) 4.574 4.147 ( -1.047 -2.437 7.010) 7.495 4.194 ( -0.613 0.983 -3.019) 3.234 4.365 ( -1.309 -2.151 -0.322) 2.538 4.402 ( -4.224 -1.915 -2.349) 5.199 4.570 ( 6.078 -7.047 -0.494) 9.319 4.725 ( -0.856 -5.643 -5.162) 7.696 4.861 ( -3.704 -8.365 -3.019) 9.634 4.954 ( 3.388 -3.694 4.720) 6.885 5.127 ( -0.530 -6.126 0.834) 6.205 5.194 ( -1.541 -0.115 0.943) 1.810 5.263 ( 1.539 -2.380 1.656) 3.283 5.387 ( -3.995 -5.960 0.212) 7.178 5.572 ( -2.489 -7.968 -0.990) 8.406 5.989 ( 3.882 7.967 -1.913) 9.067 6.094 ( -0.352 4.584 -0.950) 4.695 6.564 ( 2.973 1.706 -0.250) 3.437 6.756 ( -2.471 0.984 -8.211) 8.631 6.871 ( 3.830 -0.869 -4.690) 6.117 6.971 ( 2.989 1.083 1.931) 3.720 8.401 ( -1.777 3.197 2.516) 4.440 8.597 ( 0.490 -1.391 -3.520) 3.816 8.883 ( 4.886 6.331 -2.050) 8.256 9.024 ( 3.635 -0.371 3.792) 5.266 9.894 ( -4.074 2.112 2.726) 5.337 10.141 ( -8.243 -5.759 4.045) 10.839 10.294 ( -6.551 -2.361 -5.919) 9.140 10.401 ( -0.072 -2.467 4.734) 5.339 10.898 ( 2.100 -0.406 -1.788) 2.788 10.949 ( -0.495 -5.006 -8.760) 10.101 11.516 ( -0.243 5.678 2.253) 6.114 11.652 ( -0.578 2.456 4.396) 5.069 19.446 ( -1.264 2.723 1.561) 3.384 19.559 ( 9.478 3.130 -2.721) 10.346 19.826 ( -0.590 0.584 1.556) 1.763 20.124 ( 4.578 -4.450 -4.342) 7.721 20.465 ( 1.570 3.950 0.217) 4.256 20.722 ( 2.598 -2.672 7.426) 8.309 20.895 ( -4.795 5.568 -0.287) 7.354 21.051 ( -9.975 -2.412 12.117) 15.879 21.635 ( 1.151 -1.936 -0.163) 2.258 21.831 ( 1.015 -8.128 -2.485) 8.559 22.528 ( 1.256 7.987 -1.616) 8.245 22.897 ( 7.784 -1.788 -2.310) 8.314 ======================= Grid point 90 (48/128) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -2.914 19.526 1.735) 19.818 1.510 ( 1.219 14.044 13.031) 19.196 1.726 ( -1.952 -11.592 3.909) 12.388 1.796 ( 1.975 -13.459 5.112) 14.532 1.991 ( 1.680 4.324 2.227) 5.145 2.111 ( 3.340 -7.363 4.348) 9.181 2.458 ( 6.218 3.665 2.625) 7.680 2.496 ( 2.320 1.816 1.648) 3.376 2.695 ( 0.186 11.391 2.380) 11.638 2.786 ( -1.014 9.793 2.893) 10.261 3.024 ( 2.708 -2.178 3.501) 4.933 3.108 ( 0.532 -3.264 -0.520) 3.347 3.303 ( -1.944 3.954 0.222) 4.412 3.394 ( -3.794 -5.119 1.612) 6.573 3.624 ( 1.474 17.588 2.641) 17.846 3.758 ( 1.921 3.348 -1.422) 4.113 3.978 ( -0.143 -1.719 1.265) 2.139 4.109 ( -5.927 4.868 -5.294) 9.320 4.129 ( -4.075 -7.797 -0.447) 8.809 4.224 ( 2.211 -5.283 -0.209) 5.731 4.299 ( -3.714 -4.463 -6.225) 8.512 4.360 ( 0.719 -5.548 -0.160) 5.597 4.646 ( 0.348 -0.598 -2.344) 2.444 4.695 ( 1.754 -5.530 -0.694) 5.843 4.985 ( -0.033 1.806 3.056) 3.550 5.068 ( 0.985 -5.358 2.834) 6.141 5.181 ( -0.318 0.777 -2.033) 2.200 5.190 ( -1.270 -0.679 -3.045) 3.368 5.365 ( 2.102 0.177 4.537) 5.003 5.431 ( 2.114 -5.892 3.123) 6.995 6.145 ( 2.230 3.085 -0.826) 3.896 6.162 ( 0.403 1.543 -0.347) 1.632 6.654 ( 2.341 2.554 -0.390) 3.486 6.694 ( 5.480 -1.023 -3.414) 6.537 6.929 ( 2.429 1.839 -0.614) 3.108 6.969 ( 1.246 -2.477 0.138) 2.776 8.477 ( -1.564 3.525 2.490) 4.590 8.536 ( -0.698 -2.153 -0.140) 2.267 8.950 ( -0.796 5.666 -2.809) 6.374 9.064 ( 1.014 -6.023 1.112) 6.209 9.894 ( -5.128 3.068 -0.900) 6.043 9.952 ( -6.609 -2.689 -0.286) 7.141 10.274 ( 3.959 4.799 0.512) 6.242 10.388 ( 3.059 -5.956 3.547) 7.577 10.802 ( -0.580 1.204 -8.476) 8.581 10.845 ( 1.107 -2.991 -6.797) 7.508 11.665 ( -0.633 3.790 5.714) 6.886 11.711 ( -1.366 -0.703 5.451) 5.663 19.502 ( -2.480 4.525 0.959) 5.248 19.593 ( -0.693 -4.383 0.769) 4.504 19.913 ( 1.826 5.922 -2.714) 6.766 20.035 ( 2.906 -5.831 -4.490) 7.913 20.588 ( -1.070 5.566 2.192) 6.077 20.695 ( -4.179 -5.169 4.145) 7.833 20.921 ( -3.664 4.196 -0.099) 5.571 20.975 ( -2.934 -1.303 2.647) 4.161 21.637 ( 1.158 1.292 0.143) 1.741 21.709 ( 2.275 -5.851 -0.169) 6.280 22.704 ( 1.523 7.328 -0.440) 7.498 22.837 ( 1.128 -5.924 -2.083) 6.380 ======================= Grid point 91 (49/128) ======================= q-point: ( 0.11 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 3.944 16.815 1.152) 17.310 1.660 ( 1.281 -4.930 4.810) 7.006 1.792 ( 1.554 2.761 11.628) 12.052 1.949 ( 5.000 -9.495 7.633) 13.169 2.071 ( 5.388 7.181 2.516) 9.323 2.238 ( 5.945 -8.294 3.624) 10.829 2.519 ( 0.392 4.987 0.243) 5.009 2.554 ( 1.182 0.850 3.147) 3.467 2.802 ( 3.528 6.715 7.003) 10.324 2.843 ( 2.134 7.492 5.012) 9.263 3.089 ( -4.325 1.794 1.416) 4.892 3.133 ( 3.155 -0.827 3.704) 4.935 3.316 ( 1.803 2.472 2.431) 3.908 3.366 ( 0.810 -3.773 3.539) 5.236 3.634 ( -4.122 17.696 3.684) 18.539 3.710 ( -6.219 6.378 -1.146) 8.981 3.927 ( -6.838 -3.700 -0.262) 7.780 3.985 ( 0.774 4.299 -7.068) 8.309 4.047 ( -4.707 -4.506 -3.262) 7.287 4.134 ( -3.738 -16.244 -3.611) 17.055 4.258 ( 2.541 3.571 -1.980) 4.809 4.402 ( 2.735 -7.302 0.751) 7.834 4.673 ( 3.816 0.204 -1.466) 4.093 4.754 ( 5.077 -7.261 -0.340) 8.866 4.948 ( -4.260 2.478 -0.975) 5.024 5.029 ( -4.753 -5.022 -0.815) 6.962 5.198 ( 1.640 -0.128 0.455) 1.707 5.212 ( 3.465 -0.719 0.533) 3.579 5.449 ( 2.188 0.076 3.217) 3.891 5.509 ( 2.725 -5.456 2.131) 6.460 6.158 ( 0.009 2.539 0.357) 2.564 6.175 ( 1.237 0.772 0.860) 1.693 6.682 ( 1.302 4.034 -0.558) 4.275 6.739 ( 3.332 -0.766 -4.208) 5.422 6.973 ( 3.782 2.764 -0.053) 4.685 7.028 ( 5.873 -3.543 0.414) 6.871 8.474 ( -1.701 3.141 1.547) 3.893 8.524 ( -0.349 -1.685 -0.275) 1.742 8.905 ( -1.419 7.951 -0.831) 8.120 9.064 ( -1.572 -7.890 0.270) 8.050 9.799 ( -3.992 2.949 -1.717) 5.252 9.855 ( -4.549 -2.610 -0.190) 5.248 10.369 ( 5.668 5.103 -0.819) 7.671 10.473 ( 2.386 -4.828 0.880) 5.457 10.700 ( 0.631 2.904 -7.350) 7.928 10.796 ( 3.611 -6.470 -5.986) 9.525 11.717 ( -1.659 2.536 5.904) 6.637 11.741 ( -2.545 0.286 5.020) 5.636 19.452 ( -4.224 5.109 0.196) 6.632 19.563 ( -2.790 -5.721 -0.824) 6.418 19.887 ( -2.649 5.876 -0.018) 6.445 20.008 ( -1.282 -5.837 -2.059) 6.321 20.535 ( -5.235 3.375 -2.515) 6.717 20.593 ( -9.563 -2.917 0.950) 10.043 20.916 ( 2.356 7.477 1.459) 7.974 21.036 ( 3.355 -4.335 5.054) 7.456 21.658 ( 1.028 2.316 0.238) 2.545 21.748 ( 2.403 -6.746 -0.037) 7.162 22.719 ( 0.436 5.591 0.092) 5.609 22.810 ( -1.071 -3.427 -2.002) 4.111 ======================= Grid point 92 (50/128) ======================= q-point: ( 0.22 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 8.152 11.935 0.211) 14.455 1.720 ( 2.659 -8.527 2.008) 9.155 1.961 ( 1.471 5.833 9.951) 11.628 2.088 ( 4.189 -4.988 2.825) 7.100 2.237 ( 7.407 4.824 5.867) 10.610 2.374 ( 7.334 -5.892 0.242) 9.411 2.551 ( 3.780 4.285 -0.043) 5.714 2.595 ( 1.561 0.270 1.263) 2.026 2.894 ( -1.392 2.778 2.919) 4.263 2.923 ( -0.799 1.870 1.987) 2.843 3.009 ( -4.263 7.668 1.134) 8.847 3.169 ( -3.349 -6.599 3.915) 8.372 3.406 ( 5.368 14.641 4.043) 16.110 3.548 ( 4.707 -4.647 8.941) 11.122 3.578 ( -3.678 7.656 2.874) 8.967 3.642 ( -2.731 14.929 4.179) 15.741 3.791 ( -7.677 -3.267 0.082) 8.344 3.878 ( -1.084 -7.076 -11.149) 13.250 3.915 ( -4.362 -0.219 -1.627) 4.661 4.120 ( 0.757 -18.571 1.617) 18.657 4.298 ( 4.302 8.357 -1.297) 9.488 4.444 ( 1.397 -4.729 0.379) 4.946 4.679 ( -0.587 1.242 -4.005) 4.234 4.752 ( -5.471 -4.958 -1.528) 7.539 4.900 ( 0.064 1.852 -1.865) 2.629 4.997 ( 3.527 -7.169 0.649) 8.016 5.208 ( -0.290 0.681 -0.677) 1.003 5.260 ( 1.754 -3.181 -0.258) 3.641 5.507 ( 1.485 -0.213 1.571) 2.172 5.558 ( 1.114 -5.048 0.989) 5.263 6.172 ( 0.260 3.101 1.460) 3.437 6.212 ( 1.254 -0.994 1.526) 2.212 6.667 ( -0.932 3.084 -2.536) 4.100 6.699 ( -0.446 0.569 -5.337) 5.386 7.055 ( 5.957 4.822 -0.597) 7.688 7.150 ( 8.146 -5.219 -0.829) 9.710 8.464 ( -1.074 2.931 0.838) 3.232 8.518 ( -0.278 -2.367 0.132) 2.387 8.892 ( -0.623 7.812 1.231) 7.933 9.032 ( -2.058 -6.038 -0.319) 6.387 9.731 ( -2.745 3.480 -0.013) 4.433 9.799 ( -3.085 -3.225 1.443) 4.690 10.392 ( 1.108 4.072 -4.248) 5.988 10.476 ( 0.986 -4.282 -3.704) 5.747 10.681 ( 4.244 6.313 -2.810) 8.109 10.844 ( 7.118 -9.504 -2.673) 12.171 11.735 ( -3.368 2.004 3.913) 5.539 11.751 ( -2.907 0.518 4.837) 5.668 19.373 ( -5.040 4.392 -0.251) 6.690 19.486 ( -4.184 -6.620 -2.120) 8.114 19.843 ( -4.964 5.425 3.819) 8.285 19.958 ( -3.837 -5.802 1.377) 7.091 20.395 ( -5.407 3.210 -4.328) 7.633 20.457 ( -6.215 -3.123 -1.177) 7.055 21.000 ( 3.952 9.944 2.481) 10.984 21.160 ( 4.010 -5.829 4.658) 8.471 21.674 ( 0.764 3.240 -0.191) 3.334 21.783 ( 2.108 -7.775 -0.454) 8.068 22.711 ( -1.469 4.430 -0.420) 4.686 22.770 ( -1.111 -1.444 -1.088) 2.122 ======================= Grid point 93 (51/128) ======================= q-point: ( 0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 7.749 7.856 -0.137) 11.035 1.802 ( 3.711 -6.989 2.409) 8.272 2.053 ( 0.142 4.537 3.330) 5.629 2.152 ( 1.533 -4.675 0.113) 4.921 2.407 ( 6.652 3.807 1.852) 7.885 2.480 ( 4.280 -2.390 1.347) 5.084 2.625 ( 6.158 4.072 -2.329) 7.741 2.664 ( 5.700 1.082 0.610) 5.834 2.803 ( -6.694 0.899 -4.496) 8.114 2.832 ( -5.051 -2.005 -3.678) 6.562 3.003 ( -2.549 9.723 2.423) 10.340 3.147 ( -5.757 -2.658 3.272) 7.135 3.463 ( 2.276 11.382 -5.496) 12.843 3.524 ( -3.366 9.470 -0.857) 10.087 3.615 ( -3.686 1.124 4.171) 5.679 3.695 ( -0.587 -3.698 -7.470) 8.356 3.781 ( 1.773 -2.366 9.259) 9.720 3.796 ( 0.359 -5.635 3.475) 6.630 3.941 ( 3.439 4.921 8.068) 10.057 4.169 ( 2.165 -15.132 3.110) 15.599 4.349 ( 2.271 7.080 0.035) 7.436 4.456 ( -0.404 -2.828 0.083) 2.858 4.578 ( -4.225 0.099 -3.209) 5.307 4.600 ( -8.476 -3.476 -2.341) 9.456 4.896 ( 1.607 6.435 -1.648) 6.835 5.094 ( 6.386 -9.408 -0.840) 11.402 5.181 ( -0.750 -0.839 -2.026) 2.318 5.267 ( 0.206 -5.905 -0.595) 5.938 5.537 ( 0.880 0.082 0.184) 0.903 5.578 ( 0.066 -3.980 0.916) 4.085 6.191 ( -0.046 3.125 1.048) 3.297 6.240 ( 0.131 -1.988 0.864) 2.172 6.613 ( -0.225 2.257 -3.747) 4.381 6.631 ( -0.668 0.552 -3.830) 3.927 7.132 ( 5.178 5.972 -2.688) 8.349 7.249 ( 6.661 -5.938 -4.010) 9.782 8.461 ( -0.367 2.711 0.742) 2.834 8.519 ( -0.299 -2.876 0.911) 3.031 8.904 ( -0.294 5.816 1.637) 6.049 8.992 ( -1.738 -2.758 -0.963) 3.399 9.710 ( -1.792 3.712 2.811) 4.989 9.785 ( -2.397 -3.610 3.732) 5.719 10.359 ( 0.655 3.633 -2.445) 4.428 10.452 ( 1.277 -5.521 -2.461) 6.178 10.741 ( 5.334 8.535 -1.791) 10.222 10.925 ( 5.877 -9.481 -2.744) 11.487 11.711 ( -3.556 2.952 2.028) 5.047 11.748 ( -3.664 -0.793 3.758) 5.308 19.294 ( -3.694 2.280 -0.377) 4.357 19.386 ( -4.257 -6.643 -2.549) 8.292 19.819 ( -5.494 4.671 6.858) 9.951 19.922 ( -4.352 -5.413 4.160) 8.096 20.282 ( -2.032 4.741 -4.077) 6.575 20.369 ( -2.276 -4.038 -1.698) 4.936 21.085 ( 2.640 10.874 2.299) 11.424 21.261 ( 2.416 -6.415 3.022) 7.492 21.679 ( 0.555 3.899 -0.810) 4.020 21.806 ( 1.703 -8.911 -1.144) 9.144 22.666 ( -2.232 5.925 -1.237) 6.451 22.748 ( -0.648 -2.311 -0.731) 2.509 ======================= Grid point 94 (52/128) ======================= q-point: (-0.56 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 4.048 5.898 1.655) 7.343 1.877 ( 1.005 -5.709 2.565) 6.339 2.040 ( -0.356 5.024 -5.280) 7.297 2.155 ( 0.516 -5.494 -1.949) 5.852 2.431 ( -4.717 4.547 -0.488) 6.570 2.534 ( -3.741 -5.482 1.262) 6.755 2.618 ( -2.340 6.153 -7.968) 10.335 2.718 ( 4.524 -0.652 -4.047) 6.105 2.727 ( 6.301 2.448 -8.112) 10.560 2.777 ( 7.611 0.651 -3.507) 8.405 2.950 ( -4.898 7.422 -0.156) 8.894 3.056 ( -6.341 -0.884 0.932) 6.469 3.393 ( 1.198 6.204 -9.536) 11.439 3.476 ( -0.602 9.896 0.366) 9.921 3.536 ( -1.905 -4.612 -9.306) 10.560 3.682 ( 0.565 -5.941 3.034) 6.694 3.807 ( -4.117 2.931 4.910) 7.046 3.922 ( 1.022 -4.866 9.251) 10.503 4.058 ( -4.113 7.032 4.574) 9.343 4.239 ( 0.666 -7.988 3.176) 8.622 4.374 ( -3.026 -1.271 1.435) 3.582 4.425 ( -0.413 -6.885 2.253) 7.256 4.496 ( 0.177 5.268 0.850) 5.339 4.557 ( 1.949 -1.759 2.433) 3.579 4.898 ( 1.635 9.478 -2.764) 10.008 5.141 ( -0.413 0.049 -2.383) 2.419 5.171 ( 4.712 -12.180 -2.090) 13.226 5.270 ( 0.597 -7.364 0.563) 7.409 5.538 ( -0.018 0.607 -1.387) 1.514 5.575 ( -1.295 -3.021 -0.032) 3.287 6.191 ( -0.716 2.672 -0.107) 2.769 6.234 ( -0.908 -2.040 -0.451) 2.278 6.594 ( 2.455 1.510 -2.312) 3.695 6.599 ( 1.064 0.754 -2.190) 2.549 7.150 ( 2.788 5.921 -5.642) 8.641 7.266 ( 3.762 -5.908 -7.644) 10.368 8.466 ( -0.390 2.669 0.997) 2.875 8.527 ( -0.552 -3.107 1.488) 3.489 8.908 ( -1.076 4.313 0.476) 4.470 8.964 ( -0.325 -1.082 -0.431) 1.209 9.738 ( -0.972 3.305 5.756) 6.708 9.805 ( -2.009 -3.352 5.795) 6.989 10.369 ( 1.611 3.844 0.864) 4.257 10.471 ( 2.006 -6.130 0.941) 6.518 10.795 ( 3.380 8.490 -1.818) 9.317 10.967 ( 3.496 -8.324 -3.368) 9.636 11.672 ( -2.564 3.216 0.260) 4.121 11.720 ( -3.816 -1.624 2.156) 4.674 19.253 ( -0.964 -0.018 0.020) 0.964 19.306 ( -1.272 -5.194 -2.365) 5.847 19.818 ( -5.168 3.859 7.711) 10.053 19.911 ( -3.794 -5.132 5.266) 8.275 20.240 ( 1.680 5.967 -2.386) 6.643 20.344 ( 0.654 -4.349 -0.427) 4.419 21.135 ( 0.280 10.499 2.065) 10.704 21.302 ( -0.514 -5.950 1.228) 6.097 21.673 ( 0.415 4.091 -1.473) 4.368 21.809 ( 0.909 -9.504 -2.207) 9.799 22.625 ( -0.486 7.005 -1.520) 7.184 22.726 ( -0.288 -3.133 -1.680) 3.567 ======================= Grid point 95 (53/128) ======================= q-point: (-0.44 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -0.301 6.780 1.245) 6.900 1.860 ( -5.641 2.072 0.258) 6.015 1.936 ( -4.529 3.271 -3.903) 6.815 2.110 ( -0.801 -9.536 -5.840) 11.210 2.313 ( -4.841 2.873 -5.276) 7.715 2.367 ( -7.223 -1.426 -5.255) 9.046 2.493 ( -1.232 5.884 -13.047) 14.365 2.628 ( 0.090 -6.043 -12.778) 14.135 2.823 ( 8.114 4.343 -5.750) 10.852 2.859 ( 6.816 2.158 -1.449) 7.294 2.904 ( 0.308 7.023 0.049) 7.030 3.006 ( -3.279 -0.581 3.963) 5.176 3.302 ( 2.240 4.315 -10.446) 11.522 3.413 ( 0.078 -3.626 -7.799) 8.601 3.514 ( 2.402 5.523 2.463) 6.507 3.640 ( -6.473 -5.609 0.324) 8.571 3.831 ( -6.059 10.776 8.190) 14.830 3.961 ( -3.554 6.565 4.431) 8.681 4.053 ( -0.300 -8.256 8.566) 11.900 4.209 ( -5.960 -18.076 1.364) 19.082 4.357 ( 0.388 4.888 0.241) 4.909 4.456 ( 0.139 -2.756 0.465) 2.798 4.601 ( 5.449 3.102 4.070) 7.476 4.654 ( 3.728 -2.160 4.134) 5.971 4.888 ( 1.495 8.909 -2.965) 9.508 5.108 ( -0.123 -6.408 -3.147) 7.140 5.209 ( 1.839 -4.067 0.024) 4.463 5.303 ( 0.832 -6.183 2.359) 6.669 5.509 ( 0.205 -0.633 -3.152) 3.222 5.534 ( -2.395 -2.658 -1.520) 3.888 6.163 ( -1.521 2.795 -1.362) 3.461 6.204 ( -1.242 -1.718 -1.511) 2.603 6.607 ( 2.524 2.157 -2.100) 3.929 6.636 ( 4.799 -0.101 -1.212) 4.951 7.099 ( 0.737 5.323 -7.474) 9.205 7.201 ( 0.977 -5.136 -9.685) 11.006 8.469 ( -0.931 2.919 1.417) 3.375 8.535 ( -0.735 -3.361 1.716) 3.845 8.887 ( -1.253 5.188 -0.105) 5.338 8.965 ( 0.562 -2.523 -0.263) 2.598 9.810 ( -0.519 1.815 8.425) 8.634 9.850 ( -1.743 -2.206 6.998) 7.541 10.424 ( 2.023 4.116 2.911) 5.432 10.528 ( 1.652 -5.871 2.516) 6.597 10.804 ( 0.119 7.662 -1.354) 7.781 10.964 ( 1.224 -7.934 -3.535) 8.772 11.637 ( -1.086 2.752 -1.022) 3.130 11.678 ( -2.904 -1.549 0.481) 3.326 19.257 ( 1.249 0.361 0.531) 1.404 19.307 ( 4.128 -4.366 -1.509) 6.195 19.825 ( -3.755 3.497 6.001) 7.896 19.917 ( -2.378 -5.283 4.412) 7.282 20.280 ( 4.076 5.911 0.811) 7.225 20.377 ( 2.308 -3.705 1.761) 4.707 21.143 ( -2.302 8.600 2.371) 9.213 21.272 ( -3.836 -4.087 -0.093) 5.606 21.659 ( 0.352 3.674 -1.990) 4.193 21.785 ( 0.207 -8.844 -3.202) 9.408 22.620 ( 2.176 5.866 -1.623) 6.463 22.704 ( 0.919 -2.420 -2.776) 3.796 ======================= Grid point 96 (54/128) ======================= q-point: (-0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -5.665 15.323 -10.183) 19.250 1.769 ( -12.831 8.571 2.612) 15.650 1.849 ( -4.834 -3.109 5.008) 7.623 2.008 ( -4.078 -13.293 -4.929) 14.752 2.128 ( -4.654 4.501 -8.880) 10.990 2.234 ( -1.046 -4.399 -9.737) 10.736 2.323 ( -0.307 6.314 -11.613) 13.222 2.470 ( 1.565 -6.876 -12.781) 14.597 2.849 ( 2.774 7.077 -4.363) 8.764 2.894 ( -2.531 8.640 -0.408) 9.013 2.968 ( 7.325 -2.299 -0.919) 7.732 3.032 ( -1.020 -1.184 4.949) 5.189 3.236 ( 4.559 6.280 -9.308) 12.118 3.363 ( 3.637 -1.428 -6.394) 7.494 3.512 ( -7.579 6.201 2.207) 10.038 3.608 ( -0.046 -3.733 6.543) 7.534 3.809 ( -3.575 6.704 6.802) 10.197 4.056 ( 3.233 4.000 7.723) 9.279 4.127 ( -2.603 -9.602 2.193) 10.187 4.154 ( -0.705 -14.427 4.041) 14.999 4.355 ( -1.260 3.371 1.400) 3.862 4.443 ( -1.683 -2.553 -0.399) 3.084 4.703 ( 3.302 2.667 0.041) 4.245 4.744 ( 3.321 -1.188 0.610) 3.580 4.897 ( 2.942 4.126 -0.870) 5.141 5.051 ( -2.617 -9.089 -2.049) 9.678 5.243 ( 0.215 2.440 2.147) 3.257 5.322 ( -2.268 -1.362 1.719) 3.155 5.463 ( -2.413 -3.141 -3.314) 5.164 5.485 ( 1.217 -4.792 -3.315) 5.952 6.117 ( -1.134 3.489 -2.104) 4.229 6.163 ( -0.983 -1.401 -1.903) 2.559 6.618 ( 2.607 4.222 -3.516) 6.081 6.704 ( 5.317 -3.402 -2.365) 6.741 7.020 ( 0.029 4.257 -6.265) 7.574 7.085 ( -1.051 -2.793 -9.353) 9.818 8.470 ( -1.298 3.417 1.840) 4.092 8.543 ( -0.708 -3.745 1.650) 4.153 8.875 ( -0.089 6.099 0.531) 6.123 8.973 ( 1.075 -3.643 -0.579) 3.842 9.897 ( -2.278 0.330 8.362) 8.673 9.916 ( -0.355 -1.548 8.360) 8.510 10.478 ( 0.339 3.076 1.319) 3.364 10.543 ( -2.386 -2.611 -0.632) 3.593 10.797 ( 0.602 4.621 0.983) 4.763 10.933 ( -0.244 -8.068 -2.384) 8.417 11.613 ( -0.435 2.438 -1.040) 2.686 11.643 ( -1.134 -0.776 -0.361) 1.420 19.317 ( 4.433 2.547 1.622) 5.364 19.387 ( 6.383 -3.950 -0.654) 7.535 19.835 ( -1.348 3.800 3.035) 5.047 19.936 ( 0.294 -5.731 1.848) 6.028 20.380 ( 4.393 4.657 3.387) 7.243 20.454 ( 2.879 -2.597 3.722) 5.375 21.121 ( -4.356 5.330 3.480) 7.714 21.184 ( -5.980 -0.991 -0.287) 6.068 21.640 ( 0.363 2.900 -2.176) 3.644 21.747 ( 0.142 -7.645 -3.566) 8.437 22.648 ( 2.987 4.152 -1.971) 5.482 22.703 ( 3.501 -1.272 -2.780) 4.648 ======================= Grid point 97 (55/128) ======================= q-point: (-0.22 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -5.586 18.515 -4.945) 19.962 1.580 ( -11.912 14.562 2.086) 18.929 1.796 ( -6.293 -10.770 0.277) 12.477 1.882 ( -6.858 -13.265 1.451) 15.003 1.984 ( -1.725 5.931 -5.487) 8.262 2.116 ( -2.521 -6.946 -6.152) 9.615 2.238 ( 6.287 8.561 -8.284) 13.470 2.412 ( 5.082 -8.074 -8.011) 12.457 2.823 ( -4.476 11.441 -0.723) 12.307 2.825 ( -1.088 11.115 -1.918) 11.331 3.033 ( -3.848 -4.604 2.472) 6.489 3.060 ( 4.334 -4.321 -0.944) 6.193 3.260 ( 7.377 8.201 -3.872) 11.690 3.371 ( 1.727 -4.196 -2.166) 5.028 3.468 ( 0.830 14.655 3.040) 14.990 3.678 ( -0.890 -6.151 5.454) 8.268 3.868 ( 1.569 3.320 4.565) 5.859 4.101 ( -0.984 -11.125 1.353) 11.251 4.179 ( -0.871 0.223 0.660) 1.115 4.205 ( 4.488 -2.773 4.709) 7.072 4.374 ( -0.680 -2.145 4.130) 4.703 4.401 ( -2.482 -2.440 -0.181) 3.485 4.715 ( -0.449 1.828 -0.956) 2.111 4.771 ( 0.663 -2.874 -1.044) 3.129 4.945 ( 2.153 0.360 -1.499) 2.648 5.005 ( -0.506 -5.424 -0.224) 5.452 5.244 ( -2.278 2.989 0.479) 3.789 5.282 ( -3.046 2.463 1.539) 4.208 5.373 ( -2.896 -2.594 -4.320) 5.812 5.458 ( -1.206 -8.205 -2.166) 8.571 6.093 ( 1.278 4.167 -1.859) 4.739 6.139 ( 0.658 -0.613 -1.447) 1.703 6.612 ( 2.327 5.039 -4.021) 6.854 6.736 ( 3.496 -7.014 -5.298) 9.460 6.954 ( -1.242 3.031 -4.646) 5.685 6.980 ( 0.086 0.331 -4.450) 4.463 8.470 ( -1.450 3.771 2.147) 4.575 8.548 ( -0.758 -3.903 1.252) 4.168 8.907 ( 2.577 5.517 1.499) 6.271 8.987 ( 1.570 -2.708 -0.838) 3.240 9.941 ( -2.639 2.307 6.445) 7.337 10.007 ( -1.214 -4.253 8.303) 9.407 10.430 ( -5.393 0.311 -2.994) 6.176 10.442 ( -4.923 -0.259 -3.794) 6.221 10.844 ( 2.642 1.666 1.024) 3.287 10.916 ( 0.732 -5.401 -1.559) 5.669 11.600 ( -0.472 3.144 0.504) 3.219 11.638 ( -0.044 -0.592 1.144) 1.289 19.427 ( 4.542 2.987 3.207) 6.311 19.484 ( 5.611 -2.185 -0.206) 6.025 19.855 ( 1.767 4.634 -0.117) 4.961 19.971 ( 3.899 -6.324 -1.740) 7.630 20.483 ( 2.639 3.943 3.719) 6.028 20.553 ( 2.683 -2.755 4.914) 6.240 21.075 ( -6.253 2.947 2.290) 7.281 21.096 ( -5.429 1.112 3.037) 6.319 21.623 ( 0.544 1.972 -1.774) 2.708 21.710 ( 0.302 -6.577 -3.192) 7.317 22.665 ( 2.500 5.565 -2.302) 6.521 22.755 ( 5.301 -3.171 -1.749) 6.420 ======================= Grid point 98 (56/128) ======================= q-point: (-0.11 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -2.818 18.374 5.567) 19.405 1.442 ( -8.052 19.131 2.559) 20.913 1.711 ( -2.928 -11.004 1.438) 11.477 1.805 ( -4.825 -16.614 1.367) 17.354 1.955 ( -0.800 3.772 2.558) 4.627 2.050 ( 0.334 -5.425 -0.415) 5.451 2.316 ( 9.016 5.876 -1.656) 10.888 2.432 ( 5.394 -4.239 -3.464) 7.685 2.735 ( -4.697 12.851 -0.319) 13.686 2.792 ( -1.939 12.641 0.769) 12.812 2.993 ( -2.009 -3.761 1.090) 4.400 3.099 ( 1.980 -4.994 -1.150) 5.493 3.326 ( 0.109 3.142 0.342) 3.162 3.384 ( 1.575 1.036 2.555) 3.175 3.560 ( 3.896 11.256 1.120) 11.963 3.713 ( 2.746 -0.317 0.173) 2.770 3.940 ( 1.659 1.704 2.460) 3.422 4.126 ( 0.363 -10.141 2.400) 10.428 4.178 ( 0.776 1.650 0.676) 1.945 4.259 ( -1.034 -5.298 -2.442) 5.925 4.360 ( -1.899 -0.976 -0.835) 2.292 4.394 ( -1.335 -3.964 0.737) 4.247 4.694 ( -0.798 -0.227 -0.073) 0.833 4.733 ( -4.502 -4.180 -2.096) 6.491 4.933 ( 1.244 2.151 0.270) 2.500 5.014 ( 1.354 -5.225 -0.034) 5.398 5.221 ( -0.234 2.094 -1.209) 2.429 5.272 ( -2.446 0.792 -4.125) 4.861 5.290 ( -0.594 -0.798 4.431) 4.542 5.407 ( -2.351 -7.937 0.472) 8.292 6.113 ( 2.998 4.207 -1.359) 5.342 6.149 ( 1.758 0.608 -0.829) 2.036 6.616 ( 3.062 3.521 -2.235) 5.174 6.700 ( 1.305 -4.564 -5.913) 7.583 6.911 ( 1.197 3.112 -1.998) 3.887 6.961 ( 0.365 -1.724 -0.758) 1.918 8.473 ( -1.507 3.834 2.475) 4.806 8.546 ( -0.820 -3.368 0.596) 3.517 8.971 ( 2.510 2.860 -1.291) 4.018 9.009 ( 2.335 -1.183 1.111) 2.843 9.954 ( -3.480 3.810 3.584) 6.283 10.040 ( -4.677 -4.711 3.928) 7.713 10.289 ( -4.388 1.885 -3.148) 5.720 10.347 ( -1.617 -3.243 -0.654) 3.683 10.877 ( 2.170 -0.435 -3.600) 4.226 10.892 ( 0.329 -1.605 -4.668) 4.947 11.616 ( -0.330 4.014 3.492) 5.330 11.667 ( -0.357 -0.942 4.063) 4.186 19.504 ( 0.173 3.127 2.557) 4.043 19.563 ( 3.110 -2.242 0.952) 3.950 19.891 ( 4.182 5.650 -2.576) 7.487 20.016 ( 5.543 -6.287 -4.540) 9.532 20.552 ( 0.849 4.784 3.369) 5.912 20.648 ( 1.276 -4.584 5.430) 7.220 20.996 ( -5.385 4.003 0.995) 6.783 21.039 ( -6.742 -0.452 3.304) 7.522 21.621 ( 1.010 1.081 -0.690) 1.633 21.690 ( 1.075 -5.690 -1.716) 6.040 22.682 ( 2.263 7.412 -1.417) 7.878 22.816 ( 4.011 -5.792 -1.680) 7.243 ======================= Grid point 126 (57/128) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -6.793 0.000 16.173) 17.542 0.992 ( 3.443 0.000 21.556) 21.829 1.670 ( 4.814 0.000 -14.248) 15.040 1.708 ( 3.756 0.000 34.917) 35.118 2.158 ( -1.264 0.000 9.733) 9.814 2.212 ( -0.027 0.000 -10.813) 10.813 2.332 ( 1.824 0.000 4.783) 5.119 2.542 ( 4.670 0.000 4.599) 6.554 2.649 ( 0.060 0.000 1.113) 1.115 2.764 ( -1.575 0.000 0.050) 1.576 2.844 ( -5.834 0.000 7.290) 9.337 2.944 ( 5.013 0.000 2.689) 5.688 3.039 ( -1.015 0.000 -1.432) 1.755 3.182 ( 1.471 0.000 10.220) 10.326 3.412 ( -0.834 0.000 -0.703) 1.091 3.590 ( -0.702 0.000 0.007) 0.702 3.878 ( -2.625 0.000 -5.375) 5.982 3.967 ( -4.444 0.000 -9.491) 10.480 4.265 ( 0.413 0.000 -7.632) 7.643 4.325 ( -2.229 0.000 2.386) 3.265 4.508 ( -6.493 0.000 -0.516) 6.514 4.552 ( 10.559 0.000 3.027) 10.985 5.009 ( -1.454 0.000 1.266) 1.928 5.105 ( 3.625 0.000 0.241) 3.633 5.229 ( -1.331 0.000 3.454) 3.702 5.324 ( -0.314 0.000 0.397) 0.506 5.489 ( 3.104 0.000 0.775) 3.199 5.526 ( -7.278 0.000 1.556) 7.442 5.620 ( 5.901 0.000 -6.604) 8.856 5.700 ( 2.976 0.000 2.597) 3.950 5.708 ( -10.390 0.000 -1.371) 10.480 5.877 ( 5.190 0.000 -0.466) 5.211 6.304 ( 1.923 0.000 4.616) 5.000 6.624 ( -1.694 0.000 -3.295) 3.705 6.687 ( -1.484 0.000 4.556) 4.791 7.051 ( 12.551 0.000 -6.705) 14.230 8.343 ( -1.526 0.000 3.315) 3.650 8.367 ( -0.029 0.000 2.050) 2.051 8.690 ( -1.011 0.000 0.387) 1.083 9.216 ( 7.236 0.000 -12.597) 14.527 9.816 ( -5.972 0.000 0.568) 5.999 10.058 ( 4.353 0.000 -7.673) 8.822 10.200 ( -15.117 0.000 6.033) 16.277 10.686 ( -5.668 0.000 3.111) 6.466 10.762 ( 3.372 0.000 -10.397) 10.930 10.826 ( 11.620 0.000 -2.944) 11.987 11.565 ( 4.026 0.000 7.749) 8.733 11.667 ( -3.877 0.000 5.483) 6.715 19.280 ( -0.108 0.000 2.923) 2.925 19.515 ( 2.433 0.000 -4.118) 4.783 19.858 ( -1.617 0.000 2.566) 3.033 20.088 ( 3.057 0.000 -7.556) 8.151 20.287 ( 2.648 0.000 2.019) 3.330 20.598 ( -3.039 0.000 -5.693) 6.453 21.132 ( 2.387 0.000 10.073) 10.352 21.544 ( -12.599 0.000 -3.750) 13.145 21.866 ( -13.480 0.000 5.354) 14.504 22.193 ( 5.414 0.000 -3.825) 6.629 22.357 ( -1.655 0.000 2.738) 3.200 22.600 ( 4.020 0.000 -3.877) 5.584 ======================= Grid point 127 (58/128) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 15.668 0.000 11.055) 19.175 1.327 ( 7.291 0.000 19.612) 20.923 1.646 ( 11.692 0.000 -13.187) 17.624 2.057 ( 2.803 0.000 -15.979) 16.223 2.112 ( 1.918 0.000 24.032) 24.109 2.237 ( -1.313 0.000 9.283) 9.375 2.475 ( 2.865 0.000 9.214) 9.649 2.541 ( -5.023 0.000 -1.468) 5.233 2.683 ( -4.608 0.000 -5.250) 6.985 2.708 ( 4.080 0.000 1.626) 4.392 2.962 ( -0.162 0.000 -4.243) 4.247 2.976 ( 7.199 0.000 5.890) 9.301 3.073 ( 0.472 0.000 8.370) 8.383 3.188 ( -2.430 0.000 0.386) 2.460 3.526 ( -4.151 0.000 -4.846) 6.381 3.561 ( 4.976 0.000 11.488) 12.519 3.785 ( -2.876 0.000 -9.549) 9.972 3.836 ( 0.266 0.000 0.419) 0.497 4.194 ( 0.747 0.000 -4.910) 4.967 4.310 ( -5.092 0.000 1.774) 5.392 4.385 ( -1.546 0.000 -4.437) 4.699 4.723 ( 7.008 0.000 -0.634) 7.037 4.968 ( -3.503 0.000 -0.375) 3.523 5.111 ( -3.997 0.000 1.763) 4.368 5.307 ( 0.486 0.000 -3.187) 3.224 5.315 ( 3.983 0.000 5.044) 6.428 5.421 ( -6.248 0.000 4.161) 7.507 5.443 ( -10.298 0.000 -3.996) 11.046 5.589 ( 3.423 0.000 3.050) 4.584 5.653 ( 0.133 0.000 -3.375) 3.377 5.827 ( 8.171 0.000 2.466) 8.535 6.020 ( 11.780 0.000 -2.827) 12.114 6.411 ( 3.518 0.000 5.443) 6.481 6.544 ( -1.991 0.000 -4.587) 5.001 6.697 ( -2.185 0.000 2.282) 3.159 7.158 ( 12.211 0.000 -9.710) 15.601 8.377 ( 1.021 0.000 2.772) 2.954 8.416 ( 2.570 0.000 2.870) 3.853 8.687 ( -1.417 0.000 2.498) 2.872 9.084 ( -1.385 0.000 -14.873) 14.938 9.736 ( -4.727 0.000 1.331) 4.911 10.072 ( 6.436 0.000 -5.022) 8.163 10.109 ( -9.465 0.000 10.741) 14.316 10.612 ( -5.648 0.000 0.415) 5.663 10.709 ( 3.499 0.000 -7.703) 8.460 10.989 ( 12.689 0.000 -5.053) 13.658 11.632 ( -6.076 0.000 2.531) 6.582 11.693 ( 1.686 0.000 5.940) 6.174 19.329 ( 1.816 0.000 3.181) 3.663 19.494 ( 1.548 0.000 -4.984) 5.219 19.857 ( -1.305 0.000 1.426) 1.933 20.061 ( 2.680 0.000 -5.078) 5.742 20.368 ( 3.369 0.000 3.155) 4.616 20.464 ( -4.813 0.000 -6.180) 7.833 21.226 ( -23.160 0.000 5.166) 23.729 21.279 ( 1.681 0.000 9.049) 9.204 21.792 ( -4.670 0.000 4.274) 6.331 22.216 ( 1.403 0.000 -2.399) 2.779 22.377 ( 0.673 0.000 2.184) 2.285 22.587 ( 1.154 0.000 -3.585) 3.766 ======================= Grid point 128 (59/128) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 20.094 0.000 4.316) 20.553 1.657 ( 5.351 0.000 14.159) 15.137 1.747 ( 16.999 0.000 -7.219) 18.468 1.955 ( 7.449 0.000 -15.005) 16.752 2.305 ( -3.334 0.000 10.455) 10.974 2.339 ( 0.213 0.000 8.362) 8.365 2.383 ( -6.633 0.000 -8.327) 10.646 2.536 ( -4.634 0.000 -5.068) 6.867 2.559 ( -0.936 0.000 -2.104) 2.303 2.785 ( 3.329 0.000 1.369) 3.600 2.970 ( 1.605 0.000 6.072) 6.280 3.068 ( 3.880 0.000 -5.773) 6.956 3.168 ( -0.720 0.000 -2.505) 2.606 3.187 ( 1.141 0.000 6.254) 6.357 3.378 ( -5.325 0.000 -4.324) 6.859 3.690 ( 0.898 0.000 -5.690) 5.760 3.734 ( 4.305 0.000 6.425) 7.734 3.854 ( -3.998 0.000 6.524) 7.652 4.191 ( -5.387 0.000 -1.165) 5.511 4.223 ( 2.701 0.000 6.502) 7.041 4.382 ( 5.153 0.000 -5.808) 7.765 4.732 ( -3.099 0.000 -3.170) 4.433 4.895 ( -4.264 0.000 -1.272) 4.450 5.052 ( -5.563 0.000 2.524) 6.109 5.246 ( -8.521 0.000 0.364) 8.529 5.262 ( 0.217 0.000 -6.286) 6.290 5.408 ( -2.608 0.000 6.102) 6.636 5.463 ( 5.064 0.000 4.132) 6.536 5.597 ( -0.663 0.000 -5.296) 5.337 5.684 ( 4.656 0.000 1.613) 4.928 5.992 ( 6.558 0.000 3.255) 7.321 6.163 ( 11.044 0.000 -5.391) 12.289 6.463 ( -0.992 0.000 -4.585) 4.691 6.534 ( 3.514 0.000 4.913) 6.040 6.671 ( -2.334 0.000 0.046) 2.335 7.224 ( 11.380 0.000 -12.507) 16.909 8.432 ( 2.615 0.000 1.245) 2.897 8.520 ( 5.309 0.000 3.878) 6.574 8.696 ( -2.432 0.000 4.064) 4.735 8.876 ( -3.762 0.000 -11.927) 12.506 9.698 ( -3.228 0.000 3.567) 4.811 10.109 ( -7.553 0.000 12.487) 14.594 10.153 ( 8.095 0.000 -1.993) 8.336 10.521 ( -4.179 0.000 -1.128) 4.329 10.708 ( 4.348 0.000 -3.303) 5.460 11.110 ( 10.138 0.000 -6.522) 12.055 11.529 ( -7.681 0.000 -0.268) 7.686 11.763 ( -0.286 0.000 4.191) 4.200 19.415 ( 4.007 0.000 3.146) 5.095 19.453 ( 0.411 0.000 -4.384) 4.403 19.849 ( -0.845 0.000 0.237) 0.878 20.056 ( 2.432 0.000 -3.294) 4.094 20.303 ( -6.190 0.000 -5.087) 8.012 20.466 ( 3.145 0.000 4.106) 5.172 20.946 ( -20.320 0.000 8.421) 21.995 21.392 ( 0.488 0.000 6.767) 6.784 21.777 ( -2.633 0.000 2.957) 3.959 22.188 ( -2.027 0.000 -1.112) 2.312 22.413 ( 1.260 0.000 0.299) 1.295 22.567 ( 1.227 0.000 -3.190) 3.418 ======================= Grid point 129 (60/128) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 15.082 0.000 -6.436) 16.398 1.759 ( 0.704 0.000 -3.454) 3.525 1.981 ( 11.326 0.000 -7.604) 13.642 2.028 ( 10.792 0.000 5.439) 12.085 2.170 ( -1.649 0.000 -9.158) 9.305 2.216 ( -8.346 0.000 -8.288) 11.762 2.392 ( -4.415 0.000 -0.571) 4.452 2.437 ( -0.321 0.000 0.272) 0.421 2.468 ( -2.396 0.000 -2.860) 3.731 2.843 ( 2.288 0.000 -0.128) 2.292 3.013 ( 3.698 0.000 -10.690) 11.312 3.051 ( -6.364 0.000 7.706) 9.994 3.128 ( 2.525 0.000 -5.886) 6.405 3.183 ( -4.447 0.000 -4.089) 6.041 3.368 ( 6.186 0.000 6.628) 9.066 3.609 ( -1.370 0.000 -6.261) 6.410 3.838 ( -9.071 0.000 9.397) 13.061 3.892 ( 3.232 0.000 7.825) 8.466 4.165 ( 1.287 0.000 1.524) 1.994 4.392 ( 4.699 0.000 -6.044) 7.655 4.399 ( 4.126 0.000 10.752) 11.517 4.601 ( -6.463 0.000 -2.926) 7.094 4.808 ( -3.827 0.000 -1.106) 3.984 4.979 ( -6.994 0.000 2.693) 7.495 5.161 ( -1.807 0.000 -8.349) 8.542 5.174 ( -4.182 0.000 4.941) 6.473 5.467 ( 0.758 0.000 5.612) 5.663 5.492 ( -0.357 0.000 -7.748) 7.756 5.590 ( 3.141 0.000 2.702) 4.143 5.773 ( 4.289 0.000 0.515) 4.320 6.089 ( 0.978 0.000 2.155) 2.367 6.250 ( 8.339 0.000 -7.324) 11.099 6.416 ( 1.257 0.000 -3.338) 3.567 6.602 ( -1.807 0.000 1.622) 2.428 6.648 ( 1.152 0.000 -0.506) 1.258 7.236 ( 9.875 0.000 -15.550) 18.421 8.487 ( 2.979 0.000 -0.057) 2.980 8.677 ( 7.666 0.000 3.953) 8.625 8.699 ( -2.949 0.000 4.187) 5.121 8.701 ( -3.831 0.000 -6.919) 7.909 9.719 ( -1.330 0.000 6.815) 6.943 10.139 ( -7.360 0.000 13.030) 14.965 10.271 ( 7.061 0.000 -0.578) 7.085 10.472 ( -1.340 0.000 1.458) 1.980 10.771 ( 5.165 0.000 0.043) 5.165 11.174 ( 7.817 0.000 -7.657) 10.942 11.387 ( -7.251 0.000 -1.993) 7.520 11.786 ( -1.293 0.000 2.290) 2.630 19.412 ( 0.121 0.000 -3.216) 3.218 19.520 ( 3.873 0.000 2.151) 4.431 19.836 ( -0.665 0.000 -0.247) 0.709 20.047 ( 0.887 0.000 -3.955) 4.053 20.180 ( -2.688 0.000 -0.498) 2.734 20.564 ( 1.587 0.000 5.717) 5.933 20.745 ( -15.488 0.000 7.555) 17.232 21.439 ( -2.318 0.000 3.179) 3.934 21.771 ( -1.954 0.000 2.497) 3.171 22.136 ( -2.476 0.000 -0.781) 2.596 22.415 ( 0.383 0.000 -2.178) 2.212 22.549 ( 1.067 0.000 -3.393) 3.557 ======================= Grid point 130 (61/128) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -13.216 0.000 -8.559) 15.746 1.602 ( 0.040 0.000 -14.696) 14.696 1.822 ( -3.914 0.000 -16.774) 17.224 1.947 ( -0.147 0.000 -18.217) 18.217 2.223 ( 10.831 0.000 -2.793) 11.185 2.282 ( 6.534 0.000 -1.895) 6.804 2.373 ( -5.031 0.000 6.791) 8.451 2.411 ( -2.885 0.000 1.445) 3.227 2.453 ( 5.549 0.000 5.346) 7.705 2.869 ( 3.530 0.000 -3.380) 4.887 2.959 ( 3.279 0.000 -12.496) 12.919 2.960 ( -9.678 0.000 -3.427) 10.266 3.005 ( -7.113 0.000 -0.396) 7.124 3.106 ( 4.213 0.000 -6.095) 7.410 3.569 ( 2.055 0.000 1.027) 2.298 3.648 ( 10.878 0.000 12.290) 16.413 3.788 ( -9.855 0.000 10.144) 14.143 3.969 ( -4.208 0.000 5.496) 6.922 4.228 ( 1.897 0.000 3.547) 4.022 4.377 ( 0.439 0.000 -5.850) 5.866 4.470 ( -2.701 0.000 -1.156) 2.938 4.582 ( 3.988 0.000 3.231) 5.133 4.760 ( -0.389 0.000 -0.761) 0.855 4.897 ( -5.911 0.000 2.010) 6.244 5.030 ( -3.056 0.000 -5.593) 6.373 5.197 ( -1.168 0.000 4.596) 4.742 5.414 ( 2.531 0.000 -5.692) 6.229 5.543 ( 1.018 0.000 4.121) 4.245 5.651 ( 0.336 0.000 2.522) 2.544 5.826 ( 0.798 0.000 0.892) 1.197 6.079 ( -2.991 0.000 -0.231) 3.000 6.263 ( 4.647 0.000 -8.462) 9.654 6.430 ( 3.780 0.000 -1.839) 4.204 6.555 ( -3.862 0.000 -1.323) 4.082 6.641 ( -0.235 0.000 -2.402) 2.413 7.188 ( 8.125 0.000 -17.707) 19.483 8.520 ( 1.568 0.000 -1.035) 1.879 8.584 ( -3.303 0.000 -3.403) 4.742 8.707 ( -2.239 0.000 4.830) 5.324 8.845 ( 7.170 0.000 2.621) 7.634 9.827 ( 2.083 0.000 11.027) 11.222 10.162 ( -8.114 0.000 12.462) 14.871 10.350 ( 3.286 0.000 -0.475) 3.320 10.511 ( 0.177 0.000 5.374) 5.377 10.853 ( 4.842 0.000 -1.475) 5.061 11.192 ( 6.117 0.000 -8.914) 10.810 11.281 ( -3.145 0.000 0.457) 3.178 11.776 ( -1.366 0.000 -0.419) 1.429 19.388 ( 0.431 0.000 -1.486) 1.547 19.544 ( -2.497 0.000 -1.018) 2.697 19.823 ( -0.725 0.000 0.115) 0.734 20.033 ( 4.234 0.000 -3.184) 5.297 20.214 ( 3.063 0.000 4.335) 5.309 20.568 ( -12.123 0.000 6.572) 13.790 20.689 ( 0.656 0.000 6.858) 6.889 21.377 ( -6.374 0.000 -1.640) 6.582 21.770 ( -1.747 0.000 2.615) 3.145 22.101 ( -0.151 0.000 -1.248) 1.257 22.384 ( 0.097 0.000 -3.228) 3.230 22.520 ( 0.600 0.000 -4.004) 4.048 ======================= Grid point 131 (62/128) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -17.821 0.000 -16.881) 24.547 1.204 ( -17.315 0.000 -8.251) 19.180 1.720 ( 0.195 0.000 -17.651) 17.652 1.737 ( 5.434 0.000 -10.618) 11.928 2.188 ( -8.271 0.000 -2.056) 8.523 2.287 ( -3.359 0.000 -3.182) 4.627 2.375 ( 1.788 0.000 4.896) 5.212 2.484 ( 6.431 0.000 0.411) 6.444 2.672 ( 4.270 0.000 6.437) 7.725 2.720 ( -4.862 0.000 -11.394) 12.388 2.808 ( -0.012 0.000 -11.881) 11.881 2.829 ( -7.404 0.000 2.041) 7.680 3.027 ( 8.007 0.000 -0.112) 8.008 3.132 ( 4.394 0.000 -1.461) 4.631 3.664 ( 0.131 0.000 4.464) 4.466 3.765 ( -7.805 0.000 13.423) 15.527 3.917 ( -5.407 0.000 5.286) 7.562 3.984 ( 10.712 0.000 11.716) 15.875 4.197 ( -6.214 0.000 -8.960) 10.904 4.330 ( 2.264 0.000 0.259) 2.279 4.457 ( 4.870 0.000 -3.878) 6.225 4.606 ( 0.600 0.000 -6.784) 6.811 4.790 ( 1.901 0.000 3.916) 4.353 4.833 ( -3.256 0.000 -0.153) 3.260 4.973 ( -1.524 0.000 3.025) 3.387 5.207 ( 1.117 0.000 -2.126) 2.402 5.472 ( 4.393 0.000 3.459) 5.591 5.578 ( -1.001 0.000 1.022) 1.431 5.668 ( -1.695 0.000 3.150) 3.577 5.819 ( -3.776 0.000 2.890) 4.755 6.007 ( -3.270 0.000 -3.023) 4.453 6.218 ( 2.224 0.000 -8.426) 8.714 6.434 ( -5.907 0.000 -3.927) 7.093 6.483 ( 4.476 0.000 -1.136) 4.618 6.613 ( -0.435 0.000 -1.094) 1.177 7.096 ( 6.383 0.000 -18.350) 19.428 8.503 ( -3.478 0.000 -1.216) 3.684 8.516 ( -0.875 0.000 -0.526) 1.021 8.731 ( -2.064 0.000 4.733) 5.164 8.952 ( 4.157 0.000 -0.734) 4.221 10.041 ( 5.813 0.000 12.155) 13.473 10.165 ( -8.553 0.000 13.204) 15.732 10.360 ( 0.090 0.000 -3.378) 3.379 10.579 ( -1.841 0.000 8.706) 8.899 10.887 ( 6.067 0.000 -7.335) 9.519 11.168 ( 4.726 0.000 -10.374) 11.400 11.311 ( 0.696 0.000 6.950) 6.985 11.726 ( -1.135 0.000 -5.130) 5.254 19.394 ( 0.533 0.000 1.233) 1.343 19.446 ( -5.723 0.000 -1.985) 6.057 19.815 ( -0.841 0.000 0.806) 1.165 20.091 ( 6.692 0.000 -4.004) 7.798 20.368 ( 6.547 0.000 7.539) 9.985 20.439 ( -9.592 0.000 2.936) 10.031 20.816 ( 1.184 0.000 12.568) 12.624 21.206 ( -8.423 0.000 -5.434) 10.024 21.775 ( -1.890 0.000 3.259) 3.767 22.097 ( 2.215 0.000 -2.852) 3.612 22.355 ( 0.118 0.000 -1.665) 1.669 22.474 ( 0.053 0.000 -4.764) 4.765 ======================= Grid point 132 (63/128) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -17.928 0.000 0.867) 17.949 0.861 ( -17.028 0.000 -0.043) 17.028 1.600 ( 4.592 0.000 -7.669) 8.938 1.606 ( -14.819 0.000 -2.093) 14.966 2.061 ( -0.713 0.000 -2.564) 2.661 2.180 ( -4.287 0.000 -4.749) 6.398 2.463 ( 1.212 0.000 3.459) 3.665 2.517 ( 1.176 0.000 -5.205) 5.336 2.576 ( -4.434 0.000 -4.171) 6.088 2.616 ( 1.685 0.000 -1.208) 2.073 2.735 ( -5.027 0.000 0.454) 5.048 2.845 ( 2.274 0.000 0.993) 2.481 3.174 ( 10.887 0.000 -4.466) 11.768 3.246 ( 6.092 0.000 4.694) 7.691 3.549 ( -13.706 0.000 1.586) 13.798 3.813 ( -6.449 0.000 7.999) 10.275 3.966 ( -2.982 0.000 -7.658) 8.218 4.009 ( 3.892 0.000 6.020) 7.168 4.254 ( 5.779 0.000 8.859) 10.577 4.379 ( 3.295 0.000 1.151) 3.490 4.481 ( -2.366 0.000 -8.971) 9.278 4.535 ( 9.874 0.000 -5.760) 11.431 4.762 ( -4.485 0.000 -0.293) 4.494 4.901 ( 2.268 0.000 8.116) 8.427 5.041 ( 4.441 0.000 3.393) 5.589 5.203 ( 1.758 0.000 -2.518) 3.071 5.535 ( -2.388 0.000 -2.500) 3.457 5.538 ( -2.635 0.000 2.468) 3.610 5.725 ( 2.963 0.000 6.331) 6.990 5.789 ( -5.433 0.000 4.900) 7.316 5.889 ( -4.870 0.000 -5.327) 7.218 6.155 ( 1.227 0.000 -6.019) 6.143 6.316 ( -4.188 0.000 -1.156) 4.345 6.546 ( 4.436 0.000 -0.726) 4.495 6.599 ( -1.121 0.000 1.045) 1.533 6.972 ( 3.966 0.000 -17.291) 17.740 8.437 ( -3.597 0.000 0.009) 3.597 8.479 ( -3.746 0.000 0.761) 3.823 8.741 ( -2.183 0.000 2.919) 3.645 8.972 ( 1.499 0.000 -3.011) 3.364 10.097 ( -7.579 0.000 5.992) 9.662 10.283 ( -1.032 0.000 -7.157) 7.232 10.362 ( 5.833 0.000 16.488) 17.489 10.653 ( -2.428 0.000 9.422) 9.730 10.895 ( 6.890 0.000 -9.752) 11.940 11.107 ( 3.885 0.000 -12.048) 12.658 11.427 ( 0.697 0.000 9.753) 9.778 11.596 ( -3.059 0.000 -12.315) 12.689 19.341 ( -4.665 0.000 -0.702) 4.718 19.432 ( -0.171 0.000 4.483) 4.486 19.816 ( -0.740 0.000 1.521) 1.692 20.143 ( 6.625 0.000 -6.148) 9.038 20.327 ( -5.652 0.000 -0.354) 5.663 20.579 ( 6.908 0.000 8.550) 10.991 20.999 ( -7.650 0.000 -6.214) 9.855 21.058 ( 5.323 0.000 21.874) 22.512 21.788 ( -2.057 0.000 5.231) 5.620 22.101 ( 3.644 0.000 -4.583) 5.856 22.350 ( -0.219 0.000 0.643) 0.679 22.409 ( -0.835 0.000 -5.423) 5.487 ======================= Grid point 133 (64/128) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -13.504 0.000 13.405) 19.028 0.753 ( -7.337 0.000 29.961) 30.846 1.245 ( -28.423 0.000 6.379) 29.130 1.710 ( 9.866 0.000 4.946) 11.036 2.015 ( -4.860 0.000 -10.020) 11.136 2.088 ( 3.658 0.000 0.729) 3.730 2.436 ( -3.918 0.000 1.831) 4.325 2.540 ( 3.935 0.000 2.615) 4.725 2.582 ( -1.853 0.000 -6.146) 6.419 2.607 ( 2.282 0.000 6.278) 6.680 2.717 ( 1.686 0.000 1.321) 2.142 2.881 ( 0.349 0.000 3.775) 3.791 3.216 ( 4.726 0.000 -12.381) 13.252 3.222 ( -16.230 0.000 3.451) 16.592 3.489 ( 6.108 0.000 -0.982) 6.187 3.664 ( -4.836 0.000 -4.488) 6.597 4.022 ( 2.475 0.000 4.270) 4.936 4.109 ( 2.333 0.000 2.643) 3.526 4.338 ( -1.915 0.000 4.138) 4.560 4.350 ( -1.906 0.000 -5.915) 6.214 4.503 ( 4.702 0.000 4.286) 6.362 4.513 ( -3.597 0.000 -6.890) 7.773 4.814 ( 10.097 0.000 0.869) 10.134 5.013 ( 2.156 0.000 2.063) 2.984 5.171 ( 6.472 0.000 2.395) 6.901 5.216 ( 1.789 0.000 1.062) 2.080 5.468 ( -0.599 0.000 -3.894) 3.940 5.483 ( -4.744 0.000 1.091) 4.868 5.726 ( -5.248 0.000 -1.230) 5.391 5.766 ( -7.067 0.000 2.748) 7.582 5.831 ( 2.528 0.000 0.361) 2.553 6.140 ( 0.215 0.000 -1.096) 1.117 6.260 ( -2.505 0.000 0.591) 2.573 6.608 ( -1.234 0.000 3.938) 4.126 6.610 ( 3.704 0.000 0.483) 3.735 6.846 ( 2.303 0.000 -9.914) 10.178 8.388 ( -2.992 0.000 1.129) 3.198 8.415 ( -5.428 0.000 1.758) 5.705 8.730 ( -1.661 0.000 0.790) 1.840 8.970 ( 3.311 0.000 -1.302) 3.558 10.020 ( -8.489 0.000 3.849) 9.321 10.182 ( 0.593 0.000 -8.913) 8.933 10.605 ( 4.355 0.000 8.383) 9.447 10.708 ( -3.309 0.000 7.724) 8.403 10.879 ( 5.540 0.000 -10.681) 12.032 10.972 ( -2.793 0.000 -19.620) 19.818 11.368 ( -5.277 0.000 -6.576) 8.431 11.546 ( -0.380 0.000 9.735) 9.742 19.280 ( -2.932 0.000 0.955) 3.083 19.482 ( -0.511 0.000 4.375) 4.405 19.828 ( -0.653 0.000 2.570) 2.652 20.159 ( 5.655 0.000 -8.661) 10.343 20.254 ( -1.571 0.000 -1.610) 2.250 20.780 ( 4.278 0.000 8.335) 9.368 20.829 ( -4.216 0.000 -4.220) 5.965 21.498 ( 14.413 0.000 14.921) 20.745 21.894 ( 5.030 0.000 17.866) 18.561 22.114 ( 4.890 0.000 -5.089) 7.057 22.313 ( -3.412 0.000 -5.057) 6.101 22.356 ( -1.025 0.000 1.903) 2.161 ======================= Grid point 134 (65/128) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -4.622 0.000 21.583) 22.073 0.766 ( -26.884 0.000 11.206) 29.126 1.226 ( -0.303 0.000 38.313) 38.314 1.809 ( -0.864 0.000 -13.900) 13.927 1.983 ( 7.114 0.000 11.945) 13.903 2.173 ( 2.160 0.000 5.274) 5.699 2.427 ( -0.621 0.000 4.455) 4.498 2.432 ( -2.197 0.000 -11.398) 11.608 2.651 ( -0.035 0.000 3.475) 3.475 2.725 ( 2.244 0.000 5.432) 5.878 2.799 ( 7.099 0.000 2.040) 7.386 2.946 ( -8.909 0.000 8.974) 12.645 3.022 ( -4.427 0.000 5.571) 7.116 3.096 ( -0.428 0.000 -8.570) 8.581 3.503 ( 0.277 0.000 -6.814) 6.819 3.601 ( -1.841 0.000 0.638) 1.948 4.012 ( -2.961 0.000 -5.610) 6.344 4.118 ( -2.299 0.000 -4.437) 4.997 4.333 ( 3.150 0.000 -1.616) 3.541 4.338 ( -3.283 0.000 3.531) 4.821 4.388 ( 1.150 0.000 -3.352) 3.544 4.570 ( -1.403 0.000 1.930) 2.386 4.993 ( 9.039 0.000 0.600) 9.059 5.012 ( -1.796 0.000 0.867) 1.995 5.255 ( -2.104 0.000 1.375) 2.513 5.288 ( 4.030 0.000 1.616) 4.342 5.438 ( 2.174 0.000 -2.651) 3.429 5.495 ( 8.185 0.000 -0.798) 8.224 5.642 ( -2.866 0.000 -2.701) 3.939 5.684 ( -8.075 0.000 6.055) 10.092 5.826 ( 0.538 0.000 -3.457) 3.499 5.999 ( -12.264 0.000 -4.337) 13.008 6.250 ( -0.526 0.000 2.405) 2.462 6.646 ( -1.099 0.000 5.481) 5.590 6.660 ( 0.799 0.000 -0.703) 1.064 6.899 ( 10.704 0.000 -1.557) 10.817 8.357 ( -4.313 0.000 2.627) 5.050 8.364 ( -1.946 0.000 1.581) 2.507 8.709 ( -1.164 0.000 -0.268) 1.194 9.104 ( 13.153 0.000 -1.201) 13.208 9.916 ( -7.772 0.000 1.835) 7.986 10.101 ( 2.488 0.000 -9.027) 9.364 10.528 ( -20.233 0.000 -11.877) 23.461 10.710 ( 4.803 0.000 -0.220) 4.808 10.721 ( -4.512 0.000 5.435) 7.064 10.829 ( 3.985 0.000 -11.002) 11.702 11.397 ( 4.033 0.000 7.481) 8.499 11.634 ( -1.885 0.000 8.084) 8.301 19.263 ( -1.510 0.000 2.223) 2.687 19.511 ( 1.277 0.000 -0.464) 1.359 19.848 ( -1.220 0.000 3.147) 3.375 20.131 ( 4.062 0.000 -9.328) 10.174 20.242 ( 1.162 0.000 0.011) 1.162 20.705 ( -2.996 0.000 -4.611) 5.499 20.967 ( 3.491 0.000 9.790) 10.393 21.654 ( 1.782 0.000 -2.568) 3.126 22.099 ( -10.618 0.000 -3.189) 11.086 22.146 ( 5.913 0.000 -4.661) 7.530 22.358 ( -1.830 0.000 2.412) 3.027 22.426 ( 17.723 0.000 8.248) 19.548 ======================= Grid point 135 (66/128) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -7.251 13.624 12.374) 19.781 1.298 ( 4.399 23.205 16.873) 29.027 1.693 ( 4.928 2.524 -11.820) 13.052 1.809 ( 4.031 10.674 29.049) 31.209 2.075 ( -3.767 -3.400 8.275) 9.707 2.245 ( 1.641 -0.082 -6.105) 6.323 2.428 ( 2.959 7.880 7.987) 11.603 2.532 ( 0.829 -7.387 3.395) 8.172 2.605 ( -1.146 -1.288 0.248) 1.742 2.802 ( 4.807 6.535 -2.038) 8.364 2.832 ( -2.708 -0.089 6.453) 6.998 2.963 ( 1.403 1.114 -1.577) 2.386 3.106 ( -1.166 6.819 6.622) 9.576 3.247 ( 1.763 6.007 5.606) 8.404 3.463 ( -1.330 4.577 -0.230) 4.772 3.607 ( -1.071 1.463 0.674) 1.934 3.821 ( -3.228 -4.001 -5.504) 7.531 3.969 ( -4.173 -0.037 -9.685) 10.546 4.213 ( -0.765 -3.384 -5.345) 6.372 4.391 ( -1.998 2.402 1.749) 3.580 4.412 ( -2.146 -4.788 0.909) 5.325 4.595 ( 6.047 1.155 -0.372) 6.168 4.888 ( 3.471 -12.980 -0.531) 13.447 4.975 ( -1.045 -8.378 -1.150) 8.521 5.203 ( -0.376 -2.750 3.492) 4.461 5.287 ( -1.336 -4.299 1.652) 4.795 5.350 ( -3.316 -7.912 0.972) 8.633 5.372 ( 0.459 -8.522 -0.170) 8.536 5.599 ( -3.978 -4.678 5.676) 8.362 5.706 ( 4.049 -2.131 0.160) 4.578 5.858 ( 4.732 7.086 -1.312) 8.621 5.931 ( 2.878 8.731 -1.871) 9.382 6.446 ( 0.256 8.965 -0.683) 8.995 6.637 ( -2.008 0.666 0.569) 2.191 6.741 ( -0.198 5.430 0.095) 5.435 7.029 ( 10.387 -1.975 -6.180) 12.247 8.396 ( -2.352 4.310 1.779) 5.222 8.401 ( 0.843 3.358 1.420) 3.742 8.711 ( -1.489 2.253 0.284) 2.715 9.208 ( 6.509 -1.091 -10.924) 12.763 9.810 ( -6.525 -0.054 1.210) 6.636 10.081 ( 5.031 2.124 -6.877) 8.782 10.158 ( -13.328 -3.683 6.389) 15.232 10.659 ( 3.615 -5.209 -4.967) 8.054 10.676 ( -5.194 -1.682 1.470) 5.654 10.848 ( 9.031 -1.635 -6.894) 11.479 11.607 ( 2.971 4.066 7.404) 8.954 11.716 ( -3.516 4.048 4.482) 6.988 19.327 ( -0.714 4.163 1.864) 4.617 19.533 ( 2.665 1.724 -4.159) 5.232 19.870 ( -2.125 0.883 2.464) 3.371 20.072 ( 3.463 -1.344 -6.181) 7.211 20.329 ( 2.382 3.987 0.617) 4.685 20.622 ( -2.665 2.295 -6.084) 7.027 21.123 ( 1.676 -1.099 10.244) 10.439 21.439 ( -19.474 -11.690 3.397) 22.965 21.719 ( -3.951 -7.392 3.910) 9.248 22.043 ( 5.431 -11.424 -2.617) 12.917 22.429 ( 2.765 7.173 3.090) 8.285 22.742 ( 0.375 7.314 -6.879) 10.048 ======================= Grid point 136 (67/128) ======================= q-point: ( 0.11 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 9.851 7.292 10.561) 16.178 1.591 ( 7.936 20.012 14.658) 26.045 1.682 ( 10.304 3.974 -10.845) 15.478 2.038 ( -0.162 -1.875 -2.439) 3.081 2.193 ( 0.939 6.981 20.687) 21.853 2.232 ( 1.875 0.549 0.601) 2.044 2.496 ( -1.484 1.070 -0.733) 1.971 2.546 ( -1.352 -1.691 0.662) 2.264 2.651 ( 2.624 0.352 4.343) 5.087 2.803 ( 0.463 7.104 -2.712) 7.618 2.916 ( 1.711 -2.884 1.792) 3.802 3.007 ( 1.604 3.395 6.398) 7.418 3.097 ( -0.539 5.037 -0.141) 5.068 3.321 ( 1.636 9.392 2.374) 9.825 3.469 ( -3.632 -1.066 1.168) 3.961 3.651 ( 2.506 4.364 4.503) 6.752 3.759 ( -0.703 -3.126 -1.408) 3.500 3.810 ( -0.667 -0.787 -6.621) 6.701 4.146 ( -0.234 -3.448 -2.762) 4.424 4.291 ( -8.667 -5.210 -0.431) 10.122 4.390 ( 1.445 2.805 -2.786) 4.209 4.719 ( 6.442 -1.521 -1.272) 6.740 4.905 ( -0.063 -8.081 -2.566) 8.479 4.946 ( -0.859 -12.617 -0.182) 12.648 5.173 ( -8.606 -5.438 2.136) 10.402 5.261 ( -2.298 -4.668 1.920) 5.546 5.337 ( 1.844 -2.997 2.696) 4.433 5.405 ( 1.536 -9.171 -0.638) 9.320 5.597 ( -2.617 0.678 3.650) 4.542 5.781 ( 3.712 -3.523 -0.329) 5.128 5.874 ( 1.713 11.694 -0.368) 11.824 6.036 ( 10.890 2.776 -3.817) 11.869 6.473 ( 0.888 5.612 2.110) 6.061 6.589 ( -1.465 2.604 -1.583) 3.381 6.744 ( -0.080 5.085 0.006) 5.085 7.128 ( 11.509 -2.818 -8.358) 14.500 8.395 ( -0.755 1.882 2.141) 2.949 8.457 ( 3.433 3.393 2.029) 5.236 8.703 ( -1.782 1.876 2.885) 3.875 9.097 ( -0.785 0.900 -13.306) 13.359 9.734 ( -4.923 0.126 2.195) 5.391 10.077 ( -8.080 -2.572 9.080) 12.424 10.104 ( 5.609 2.708 -4.419) 7.637 10.596 ( -3.893 -2.117 -1.746) 4.763 10.646 ( 2.192 -4.498 -4.636) 6.821 10.961 ( 11.240 -3.428 -4.856) 12.715 11.680 ( -5.398 4.229 2.046) 7.156 11.722 ( 1.189 2.710 6.007) 6.696 19.340 ( -0.588 1.278 2.260) 2.662 19.520 ( 2.168 2.100 -4.445) 5.373 19.859 ( -1.973 0.317 1.624) 2.575 20.063 ( 2.819 0.001 -4.205) 5.062 20.363 ( -1.550 0.230 0.605) 1.679 20.520 ( 0.100 4.572 -4.876) 6.684 21.125 ( -21.844 -8.525 9.455) 25.283 21.284 ( 0.554 -0.297 7.993) 8.018 21.709 ( -1.858 -5.207 2.036) 5.892 22.098 ( 4.909 -10.063 -2.266) 11.424 22.476 ( -1.349 7.864 1.674) 8.152 22.668 ( 0.214 5.516 -4.299) 6.996 ======================= Grid point 137 (68/128) ======================= q-point: ( 0.22 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 15.514 0.646 5.792) 16.572 1.761 ( 12.492 3.602 -8.725) 15.657 1.878 ( 6.919 13.473 11.173) 18.821 2.005 ( 5.853 5.016 -7.917) 11.050 2.280 ( 0.308 -5.721 2.226) 6.146 2.349 ( -3.784 5.089 5.444) 8.358 2.428 ( -1.699 4.043 -2.783) 5.193 2.492 ( -2.239 0.186 -1.585) 2.750 2.685 ( -2.205 7.538 -2.562) 8.261 2.793 ( 2.803 -0.112 -3.573) 4.542 2.946 ( 0.511 -1.407 4.695) 4.928 3.080 ( -1.586 -0.320 2.088) 2.641 3.135 ( 3.365 3.382 -0.641) 4.814 3.320 ( -4.335 6.219 -0.695) 7.612 3.399 ( 1.024 5.219 -4.399) 6.902 3.716 ( 0.656 1.338 0.378) 1.538 3.746 ( 3.119 1.854 0.270) 3.638 3.816 ( -1.740 -3.300 5.741) 6.847 4.167 ( -3.675 -3.006 -0.827) 4.820 4.195 ( 2.364 -2.201 8.419) 9.017 4.388 ( 3.281 0.792 -4.180) 5.372 4.705 ( -3.777 -3.401 -4.362) 6.697 4.839 ( -3.956 -6.472 -2.715) 8.056 4.949 ( -0.201 -11.051 1.836) 11.204 5.047 ( -8.731 -6.023 2.088) 10.810 5.243 ( -0.933 -3.384 -0.976) 3.644 5.406 ( 0.553 -4.811 -0.188) 4.846 5.425 ( 3.349 -5.770 2.013) 6.968 5.606 ( -0.412 3.996 2.166) 4.564 5.806 ( 2.205 -2.526 -1.727) 3.772 5.933 ( 3.244 4.650 0.770) 5.722 6.158 ( 10.162 0.307 -5.446) 11.533 6.475 ( -1.145 1.713 -0.982) 2.282 6.589 ( -0.101 1.827 2.222) 2.878 6.745 ( 1.943 7.662 -1.505) 8.046 7.201 ( 10.879 -2.173 -11.175) 15.747 8.417 ( 1.281 -0.553 0.825) 1.621 8.555 ( 4.482 2.081 2.951) 5.756 8.716 ( -2.253 2.549 4.742) 5.836 8.920 ( -2.635 3.664 -10.717) 11.629 9.703 ( -3.320 0.595 4.143) 5.343 10.077 ( -7.023 -2.879 11.690) 13.938 10.173 ( 7.458 1.880 -2.434) 8.067 10.515 ( -2.969 -0.520 -1.436) 3.339 10.650 ( 3.833 -4.964 -2.756) 6.850 11.068 ( 8.795 -4.141 -5.718) 11.278 11.591 ( -6.329 5.364 -0.322) 8.302 11.786 ( -0.617 2.043 4.284) 4.786 19.356 ( 0.453 -2.745 0.246) 2.792 19.511 ( 1.359 2.281 -1.718) 3.162 19.849 ( -0.885 0.499 1.146) 1.532 20.065 ( 2.100 0.663 -2.842) 3.595 20.258 ( -7.298 -2.552 -2.421) 8.101 20.543 ( 3.376 4.948 0.704) 6.031 20.896 ( -18.538 -3.673 9.905) 21.336 21.387 ( 0.612 -0.598 6.238) 6.296 21.702 ( -1.334 -4.853 1.364) 5.215 22.154 ( 4.326 -8.336 -1.179) 9.465 22.412 ( -5.071 6.119 -2.263) 8.263 22.661 ( 1.666 5.471 -1.240) 5.852 ======================= Grid point 138 (69/128) ======================= q-point: ( 0.33 0.14 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 11.917 -1.881 -1.354) 12.141 1.841 ( 6.458 3.438 -7.907) 10.773 1.999 ( 4.889 1.470 -4.146) 6.577 2.087 ( 3.306 5.543 -0.790) 6.503 2.166 ( -1.743 4.641 -9.241) 10.487 2.361 ( 0.920 5.750 -6.174) 8.487 2.381 ( -0.947 -1.606 3.547) 4.007 2.450 ( -4.597 7.076 2.140) 8.705 2.561 ( -2.214 7.699 -6.645) 10.409 2.813 ( 3.897 -2.898 -2.723) 5.568 2.970 ( 0.203 -3.718 -5.269) 6.451 3.069 ( -3.580 -4.589 -0.226) 5.825 3.119 ( -1.927 5.968 4.440) 7.684 3.220 ( -2.520 2.383 -6.772) 7.609 3.410 ( 4.943 5.452 -3.953) 8.354 3.680 ( 0.236 5.721 -0.148) 5.728 3.821 ( -6.191 -0.670 8.806) 10.785 3.893 ( 2.817 -0.581 6.992) 7.561 4.178 ( 2.169 1.150 2.971) 3.854 4.332 ( 2.073 -2.768 2.904) 4.516 4.429 ( 4.686 -0.196 2.535) 5.332 4.561 ( -5.848 -4.005 -3.297) 7.818 4.743 ( -4.472 -5.707 -0.355) 7.259 4.925 ( -6.743 -5.490 1.883) 8.897 4.964 ( -2.742 -10.734 1.052) 11.129 5.211 ( -0.169 -1.635 -1.844) 2.470 5.384 ( 0.670 -4.239 -4.713) 6.374 5.508 ( 1.684 -2.363 4.043) 4.977 5.630 ( 0.939 2.747 0.865) 3.029 5.833 ( 3.229 -7.229 -1.519) 8.062 5.963 ( 0.173 2.593 -0.748) 2.705 6.237 ( 7.716 -1.004 -6.422) 10.089 6.445 ( -0.745 1.677 -1.054) 2.116 6.592 ( -1.575 -0.845 0.946) 2.022 6.771 ( 2.724 9.129 -2.168) 9.770 7.217 ( 9.051 -1.707 -14.200) 16.926 8.452 ( 2.069 -2.211 -0.013) 3.028 8.644 ( 0.766 -1.462 2.424) 2.932 8.735 ( -1.175 4.062 1.498) 4.486 8.803 ( 0.949 6.219 -2.520) 6.777 9.727 ( -1.342 0.889 6.995) 7.178 10.105 ( -6.871 -3.068 12.200) 14.334 10.274 ( 6.078 0.138 -0.571) 6.107 10.487 ( 0.113 1.829 1.379) 2.294 10.708 ( 4.953 -5.612 -0.114) 7.486 11.111 ( 5.283 -4.874 -6.889) 9.956 11.481 ( -4.723 7.279 -1.883) 8.879 11.804 ( -1.787 1.429 2.370) 3.294 19.358 ( 1.229 -3.901 -1.911) 4.515 19.516 ( -0.599 -1.600 0.310) 1.737 19.869 ( 1.966 3.031 1.224) 3.814 20.031 ( -2.620 -0.561 -3.736) 4.598 20.153 ( -2.647 -2.173 1.747) 3.845 20.592 ( -2.810 -1.058 4.619) 5.509 20.763 ( -8.445 4.679 6.966) 11.906 21.433 ( -1.916 -0.669 2.790) 3.450 21.699 ( -0.950 -4.731 1.432) 5.033 22.214 ( 4.085 -7.846 -0.662) 8.870 22.283 ( -5.255 5.266 -4.220) 8.553 22.661 ( 0.291 5.779 -1.965) 6.111 ======================= Grid point 139 (70/128) ======================= q-point: (-0.56 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -5.643 1.612 -9.806) 11.428 1.764 ( 3.899 4.290 -10.633) 12.111 1.835 ( -12.196 7.443 -11.124) 18.108 2.015 ( 0.690 5.538 -17.436) 18.307 2.186 ( 8.300 -0.800 -0.711) 8.369 2.321 ( 2.445 -0.237 -4.966) 5.540 2.373 ( 1.405 0.143 -0.511) 1.502 2.440 ( -6.711 4.233 2.107) 8.209 2.547 ( 5.217 9.041 4.652) 11.428 2.837 ( -2.916 -6.789 -3.413) 8.139 2.874 ( 3.361 -1.099 -8.850) 9.531 2.961 ( -3.896 -1.444 -6.023) 7.318 3.079 ( -4.583 5.087 -1.597) 7.031 3.160 ( 2.132 4.521 -2.517) 5.597 3.491 ( 7.423 -2.667 1.473) 8.023 3.766 ( 1.557 6.106 8.825) 10.844 3.815 ( -5.175 3.715 9.900) 11.773 3.958 ( -4.108 -1.734 4.383) 6.252 4.256 ( 1.409 3.331 4.299) 5.618 4.313 ( -1.461 -5.402 -5.751) 8.024 4.458 ( -1.688 -1.393 1.305) 2.548 4.583 ( 4.419 -1.143 2.473) 5.192 4.695 ( -0.359 -4.556 -1.180) 4.721 4.846 ( -4.635 -5.210 1.734) 7.185 4.920 ( -3.078 -7.937 0.720) 8.543 5.228 ( 1.635 -2.486 3.106) 4.301 5.323 ( 0.750 -2.026 -6.942) 7.271 5.570 ( 0.380 -1.232 3.383) 3.621 5.643 ( -0.422 -1.170 -0.069) 1.245 5.858 ( 1.387 -14.229 -1.880) 14.420 5.933 ( -1.594 6.595 -0.986) 6.856 6.258 ( 4.102 -1.941 -6.896) 8.255 6.433 ( 0.555 2.859 -0.240) 2.922 6.575 ( -1.131 -0.555 0.143) 1.268 6.755 ( 0.591 8.704 -5.250) 10.182 7.169 ( 6.789 -1.739 -16.309) 17.751 8.473 ( 0.354 -2.374 -0.069) 2.401 8.627 ( -1.493 1.628 -1.757) 2.822 8.724 ( -2.041 2.447 3.483) 4.720 8.882 ( 5.314 3.145 1.493) 6.352 9.833 ( 1.864 0.653 10.681) 10.862 10.127 ( -7.328 -3.189 11.233) 13.786 10.351 ( 3.059 -0.027 1.021) 3.225 10.537 ( 0.693 2.730 4.205) 5.061 10.791 ( 4.848 -5.732 -0.591) 7.530 11.091 ( 3.465 -5.434 -7.487) 9.879 11.413 ( -0.932 8.220 -1.263) 8.368 11.784 ( -2.253 0.512 -0.228) 2.322 19.361 ( 1.797 -2.612 -1.681) 3.588 19.476 ( -4.267 -5.438 -0.386) 6.923 19.896 ( -1.045 5.169 -2.111) 5.680 19.993 ( 3.639 -2.160 0.889) 4.324 20.187 ( 0.793 -2.390 5.598) 6.139 20.542 ( -9.008 -2.479 5.896) 11.047 20.789 ( 1.031 8.766 5.588) 10.446 21.379 ( -5.631 0.188 -1.382) 5.802 21.704 ( -0.910 -4.700 1.866) 5.138 22.143 ( -2.457 -4.209 -6.875) 8.427 22.289 ( 3.586 1.553 1.531) 4.197 22.622 ( -0.835 5.420 -3.914) 6.738 ======================= Grid point 140 (71/128) ======================= q-point: (-0.44 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -14.694 6.172 -10.953) 19.338 1.441 ( -15.632 15.814 -11.707) 25.129 1.752 ( 2.898 4.002 -10.934) 11.998 1.823 ( 2.175 6.821 -12.080) 14.042 2.225 ( -1.791 -2.458 -2.436) 3.897 2.254 ( -10.643 3.101 -1.871) 11.242 2.350 ( 3.769 -1.358 2.028) 4.490 2.474 ( 6.795 -1.388 -2.757) 7.464 2.637 ( -4.076 -4.970 -8.780) 10.882 2.732 ( 1.738 3.215 1.991) 4.162 2.789 ( -0.764 -0.520 -5.746) 5.820 2.896 ( 4.203 1.406 -4.445) 6.277 3.003 ( -5.278 3.742 1.789) 6.713 3.210 ( 5.774 4.676 0.398) 7.441 3.639 ( 2.643 -2.396 4.281) 5.572 3.794 ( -8.175 1.694 9.182) 12.410 3.912 ( -0.927 -0.148 4.500) 4.596 3.996 ( 4.710 0.578 11.716) 12.641 4.159 ( -7.111 -2.273 -6.541) 9.926 4.338 ( 2.319 1.966 2.467) 3.916 4.468 ( 3.935 0.249 -2.068) 4.453 4.602 ( 0.526 -0.357 -6.347) 6.378 4.723 ( 1.400 -5.443 3.556) 6.651 4.805 ( -1.268 -4.001 -0.307) 4.208 4.922 ( -0.310 -4.293 4.606) 6.304 5.244 ( 0.426 2.506 -5.374) 5.945 5.338 ( 3.321 -9.383 4.683) 11.001 5.569 ( -2.634 -4.152 -3.218) 5.876 5.623 ( -2.414 -3.493 3.054) 5.231 5.831 ( -1.647 -10.372 -0.708) 10.526 5.907 ( -1.240 4.583 -0.660) 4.794 6.209 ( 0.004 -2.127 -7.201) 7.508 6.458 ( 1.898 5.996 0.337) 6.298 6.558 ( -0.505 0.971 -0.029) 1.095 6.696 ( 0.910 7.974 -5.282) 9.608 7.066 ( 4.705 -2.539 -17.154) 17.968 8.464 ( -2.114 -1.021 1.215) 2.644 8.583 ( -0.849 3.349 -2.419) 4.218 8.738 ( -2.627 1.113 4.901) 5.671 8.962 ( 3.542 0.862 -0.965) 3.771 10.030 ( 4.809 -1.004 11.357) 12.374 10.129 ( -7.201 -3.018 11.022) 13.507 10.387 ( 0.297 2.045 -0.741) 2.195 10.584 ( -2.564 0.820 6.878) 7.387 10.837 ( 5.174 -4.603 -5.408) 8.787 11.078 ( 5.164 -5.546 -7.234) 10.476 11.419 ( 0.533 7.172 2.603) 7.648 11.721 ( -2.421 -0.447 -4.050) 4.740 19.382 ( 1.655 -1.214 0.420) 2.095 19.388 ( -4.539 -4.412 -0.700) 6.369 19.853 ( -1.430 2.088 -0.327) 2.552 20.075 ( 5.684 -0.828 -2.690) 6.343 20.305 ( 1.009 -3.858 10.254) 11.003 20.475 ( -3.857 2.009 2.771) 5.157 20.903 ( 1.876 7.329 9.971) 12.516 21.225 ( -8.097 1.714 -4.716) 9.525 21.710 ( -1.338 -4.913 2.403) 5.630 22.046 ( 0.262 -6.578 -6.635) 9.347 22.371 ( 3.409 4.188 2.075) 5.785 22.551 ( -0.691 4.852 -5.475) 7.348 ======================= Grid point 141 (72/128) ======================= q-point: (-0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -14.039 12.185 3.009) 18.831 1.108 ( -13.512 19.294 -2.328) 23.670 1.613 ( -3.107 4.428 -7.810) 9.500 1.766 ( -4.622 11.745 -0.639) 12.638 2.095 ( -3.049 0.850 -2.126) 3.813 2.149 ( -2.449 -0.436 -4.032) 4.737 2.415 ( 0.550 -6.068 -0.595) 6.122 2.477 ( 0.107 -0.523 -2.740) 2.792 2.574 ( -0.521 -0.471 -3.853) 3.916 2.588 ( 0.785 -2.570 -2.391) 3.597 2.811 ( -4.051 1.214 1.213) 4.399 2.888 ( -0.369 8.797 -1.354) 8.909 3.093 ( 12.324 -2.688 0.294) 12.617 3.310 ( 1.345 1.777 3.137) 3.848 3.553 ( -9.802 -0.652 -0.702) 9.849 3.824 ( -3.234 0.463 5.634) 6.513 3.940 ( -4.902 -0.800 -4.675) 6.821 4.036 ( 4.489 2.434 5.317) 7.372 4.213 ( 2.604 -3.492 11.280) 12.092 4.393 ( 1.788 1.757 1.746) 3.054 4.501 ( -1.360 0.908 -7.065) 7.252 4.552 ( 9.582 1.257 -5.111) 10.932 4.710 ( -4.656 -5.410 -0.517) 7.156 4.859 ( 3.144 -4.162 6.417) 8.270 5.008 ( 4.441 -3.404 3.324) 6.508 5.192 ( 0.457 -0.536 -4.455) 4.511 5.433 ( -1.256 -10.649 3.052) 11.149 5.450 ( -3.146 -7.926 -2.345) 8.844 5.617 ( -2.765 -4.749 2.558) 6.062 5.795 ( -2.195 -6.707 -1.331) 7.182 5.863 ( -3.525 4.385 0.753) 5.677 6.105 ( -2.231 -0.666 -6.309) 6.725 6.477 ( 1.082 5.097 -1.008) 5.307 6.601 ( 4.256 6.399 2.312) 8.025 6.675 ( 1.194 7.424 -1.464) 7.660 6.931 ( 2.790 -3.601 -15.909) 16.548 8.438 ( -3.273 0.817 2.209) 4.033 8.537 ( -1.600 4.235 -2.024) 4.959 8.747 ( -2.428 0.989 3.954) 4.744 8.977 ( 1.413 0.432 -2.892) 3.247 10.075 ( -6.637 -1.721 5.425) 8.743 10.260 ( 2.144 -3.125 2.193) 4.379 10.373 ( 0.539 1.906 6.655) 6.944 10.624 ( -2.907 -2.850 6.896) 8.008 10.846 ( 5.114 -3.841 -7.466) 9.830 11.061 ( 4.286 -4.105 -10.417) 11.989 11.476 ( -1.003 4.014 5.268) 6.698 11.613 ( -2.171 1.628 -6.037) 6.619 19.324 ( -1.922 -0.903 -0.539) 2.191 19.428 ( 0.742 -0.384 3.535) 3.632 19.842 ( -0.619 1.423 1.125) 1.917 20.109 ( 4.057 -2.964 -4.968) 7.066 20.353 ( -2.731 1.953 1.623) 3.729 20.571 ( 5.954 -0.031 8.340) 10.248 21.028 ( -7.710 2.850 -5.469) 9.873 21.104 ( 3.701 3.644 17.669) 18.416 21.717 ( -1.961 -5.520 3.560) 6.855 21.991 ( 1.650 -8.551 -5.792) 10.459 22.408 ( -1.032 4.943 -2.131) 5.480 22.519 ( 4.537 7.490 -1.842) 8.949 ======================= Grid point 142 (73/128) ======================= q-point: (-0.22 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -6.495 12.356 23.906) 27.683 0.952 ( -10.819 19.898 9.028) 24.383 1.402 ( -17.808 14.945 4.609) 23.701 1.782 ( 5.354 7.106 4.424) 9.936 1.993 ( -3.376 -1.189 -9.454) 10.109 2.136 ( 2.649 3.782 2.369) 5.189 2.398 ( -3.645 -4.481 2.690) 6.372 2.472 ( 0.576 -1.703 -0.106) 1.800 2.516 ( -0.557 -4.206 2.727) 5.043 2.678 ( 5.476 -2.973 0.163) 6.233 2.796 ( 0.517 3.767 4.423) 5.832 2.869 ( 1.295 8.504 -3.541) 9.303 3.206 ( -7.423 -1.207 -1.599) 7.689 3.241 ( -0.525 2.057 -2.994) 3.670 3.505 ( 4.991 -0.413 -2.299) 5.510 3.703 ( -6.642 3.936 0.053) 7.721 3.986 ( 1.828 -2.055 4.713) 5.457 4.116 ( 2.425 0.568 -1.502) 2.908 4.315 ( -2.023 -1.979 3.995) 4.896 4.389 ( -2.355 2.039 -0.894) 3.241 4.471 ( 0.376 -1.730 -2.783) 3.298 4.532 ( -0.234 0.821 -2.303) 2.456 4.750 ( 8.391 -5.910 -0.685) 10.287 4.980 ( 2.678 -3.746 1.814) 4.949 5.114 ( 2.981 -7.079 3.470) 8.429 5.175 ( 2.389 -1.919 0.354) 3.084 5.319 ( -3.049 -9.002 -4.157) 10.374 5.477 ( -4.031 -9.302 5.840) 11.699 5.596 ( -3.127 -7.699 2.635) 8.718 5.717 ( -2.888 -4.300 -3.100) 6.037 5.826 ( -3.424 3.982 2.203) 5.695 6.008 ( -2.078 2.144 -3.781) 4.818 6.493 ( 2.241 3.144 -1.164) 4.033 6.652 ( 0.188 4.209 -2.723) 5.016 6.737 ( 4.182 9.241 0.981) 10.191 6.830 ( 3.963 0.031 -5.442) 6.732 8.411 ( -2.919 2.188 2.007) 4.163 8.486 ( -2.060 5.415 -1.497) 5.983 8.755 ( -1.051 2.792 1.985) 3.583 8.975 ( 3.187 0.451 -1.122) 3.408 10.011 ( -7.509 -0.552 3.583) 8.338 10.191 ( -0.312 0.493 -8.351) 8.371 10.537 ( 1.647 -5.289 9.421) 10.929 10.608 ( -6.354 -9.271 0.794) 11.268 10.839 ( 3.814 -1.615 -6.105) 7.377 10.944 ( -1.256 -2.848 -14.400) 14.732 11.428 ( -2.524 5.425 -1.141) 6.092 11.621 ( 0.226 5.214 6.496) 8.333 19.310 ( 0.881 2.937 -0.975) 3.218 19.483 ( -0.040 0.118 4.489) 4.490 19.854 ( -0.579 1.588 2.323) 2.873 20.102 ( 3.622 -4.136 -6.391) 8.430 20.322 ( 0.510 5.100 -3.172) 6.028 20.773 ( 5.146 -1.706 8.369) 9.972 20.861 ( -5.238 4.160 -3.549) 7.572 21.438 ( 8.295 -6.111 18.161) 20.880 21.739 ( -3.013 -9.289 8.241) 12.778 21.955 ( 1.350 -9.934 -4.836) 11.131 22.340 ( -0.677 6.808 -4.206) 8.031 22.623 ( 7.980 11.288 0.310) 13.827 ======================= Grid point 143 (74/128) ======================= q-point: (-0.11 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -17.847 12.010 11.088) 24.202 1.077 ( -2.530 19.754 18.019) 26.858 1.400 ( -1.246 19.185 28.155) 34.093 1.819 ( -1.176 1.324 -12.179) 12.307 1.967 ( 5.081 -0.483 8.245) 9.697 2.239 ( 2.430 3.867 6.700) 8.109 2.339 ( -3.686 0.418 0.818) 3.799 2.492 ( 0.699 -6.090 0.912) 6.197 2.591 ( 0.721 -4.262 5.566) 7.048 2.748 ( 3.328 -0.023 -0.101) 3.329 2.834 ( 1.720 5.515 -4.874) 7.558 2.947 ( 4.597 4.962 10.594) 12.569 3.023 ( -9.354 2.663 1.310) 9.814 3.204 ( 0.305 6.041 -2.081) 6.397 3.526 ( 1.582 1.638 -5.833) 6.262 3.638 ( -4.370 3.068 2.361) 5.838 3.970 ( -3.927 -1.544 -6.217) 7.513 4.111 ( -0.605 -1.899 -4.002) 4.471 4.271 ( -1.135 -3.763 -2.380) 4.595 4.379 ( -0.380 -0.241 -0.750) 0.874 4.389 ( -0.901 1.792 1.701) 2.630 4.572 ( 0.725 -0.110 0.411) 0.840 4.842 ( 3.351 -10.661 -0.797) 11.204 4.985 ( 0.162 -5.997 -0.097) 6.000 5.181 ( -0.231 -6.621 1.498) 6.792 5.255 ( 3.993 -2.998 1.213) 5.138 5.291 ( 2.973 -7.744 0.192) 8.297 5.447 ( -6.012 -9.537 3.254) 11.735 5.589 ( -2.720 -5.833 4.960) 8.126 5.669 ( -0.158 -3.702 -0.172) 3.710 5.806 ( 0.467 4.661 -0.030) 4.684 5.950 ( -1.263 6.674 -1.571) 6.972 6.484 ( 0.400 7.536 -5.050) 9.080 6.627 ( -1.014 -0.474 2.845) 3.057 6.753 ( 0.781 5.409 -1.735) 5.734 6.929 ( 8.214 2.876 -2.113) 8.955 8.392 ( -1.339 3.025 1.070) 3.477 8.434 ( -2.965 5.553 -0.197) 6.298 8.741 ( -1.415 3.244 -0.719) 3.611 9.106 ( 11.952 -0.062 -0.768) 11.977 9.914 ( -7.805 0.209 1.813) 8.015 10.106 ( 2.338 0.359 -8.253) 8.586 10.388 ( -16.520 -9.491 -1.724) 19.130 10.627 ( 1.101 -4.880 2.853) 5.759 10.760 ( -4.227 1.030 -3.794) 5.773 10.836 ( 5.670 -1.720 -9.699) 11.366 11.470 ( 2.709 6.407 6.289) 9.377 11.692 ( -1.467 4.490 6.489) 8.026 19.318 ( 0.570 4.837 -0.027) 4.870 19.523 ( 1.562 1.148 0.020) 1.938 19.869 ( -1.542 1.449 2.922) 3.608 20.088 ( 4.059 -3.268 -6.908) 8.653 20.304 ( 1.700 5.172 -2.455) 5.972 20.732 ( -3.015 2.369 -4.912) 6.231 20.963 ( 3.230 -0.239 9.933) 10.448 21.611 ( -0.992 -7.191 0.105) 7.260 21.774 ( -10.793 -19.817 9.727) 24.573 21.968 ( 5.981 -11.040 -1.000) 12.596 22.341 ( 3.690 8.877 0.763) 9.644 22.750 ( 7.841 9.812 -4.188) 13.240 ======================= Grid point 144 (75/128) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -5.750 17.704 7.496) 20.067 1.645 ( 3.935 10.663 15.287) 19.049 1.773 ( 4.102 4.961 -5.754) 8.634 2.008 ( -3.416 -3.459 8.387) 9.694 2.084 ( 3.162 5.540 6.859) 9.367 2.280 ( 1.128 2.750 4.076) 5.045 2.373 ( 0.902 0.752 4.583) 4.731 2.537 ( 1.689 2.690 8.043) 8.648 2.644 ( 0.669 5.344 -0.050) 5.385 2.733 ( 5.599 -3.112 6.307) 8.990 2.980 ( 0.554 7.253 -0.917) 7.332 3.117 ( -1.950 9.948 -0.905) 10.177 3.239 ( 3.638 5.353 4.931) 8.137 3.375 ( 0.874 6.536 4.786) 8.148 3.556 ( -2.687 3.404 4.236) 6.062 3.636 ( -0.750 2.279 0.299) 2.418 3.806 ( -4.874 4.177 -8.382) 10.558 3.977 ( -3.334 1.089 -7.986) 8.722 4.138 ( 0.750 -3.436 -5.169) 6.253 4.286 ( -6.611 -6.139 1.488) 9.143 4.420 ( -0.359 -2.507 1.607) 3.000 4.576 ( 8.182 -9.935 -5.804) 14.119 4.611 ( -1.698 -6.139 1.443) 6.531 4.800 ( 2.435 -8.254 -2.533) 8.971 5.139 ( -1.314 -5.703 4.562) 7.420 5.196 ( -2.993 -3.547 1.935) 5.028 5.202 ( -0.802 -4.996 -0.091) 5.061 5.233 ( 0.589 -5.828 1.257) 5.991 5.506 ( -0.002 -4.369 4.514) 6.282 5.595 ( 2.980 -6.660 0.803) 7.340 6.013 ( 4.766 7.114 -1.528) 8.698 6.085 ( 1.473 5.698 -0.827) 5.943 6.576 ( 2.122 4.414 -1.467) 5.112 6.652 ( -0.089 0.907 1.563) 1.809 6.848 ( 1.976 4.255 -1.671) 4.980 6.984 ( 5.645 -2.205 -4.429) 7.506 8.472 ( -2.517 3.525 2.919) 5.224 8.483 ( 0.705 3.452 -1.661) 3.895 8.786 ( -1.711 5.261 -0.126) 5.534 9.158 ( 4.247 -4.131 -6.448) 8.756 9.834 ( -7.132 2.516 1.629) 7.736 10.073 ( -9.587 -4.298 5.185) 11.716 10.145 ( 5.262 4.230 -4.388) 8.052 10.591 ( -1.031 -6.956 -1.994) 7.309 10.604 ( 1.216 -0.396 -3.804) 4.014 10.779 ( 4.702 -4.107 -5.954) 8.628 11.704 ( 1.092 5.044 6.424) 8.240 11.792 ( -2.739 3.012 4.062) 5.751 19.421 ( -1.968 4.861 0.787) 5.303 19.571 ( 2.496 1.562 -4.115) 5.060 19.883 ( -2.330 0.528 2.903) 3.759 20.039 ( 3.493 -2.172 -3.453) 5.371 20.433 ( 1.586 6.184 -1.667) 6.598 20.674 ( -1.526 2.144 -6.889) 7.375 21.073 ( -5.235 -4.064 11.116) 12.941 21.199 ( -11.799 -8.632 8.734) 17.030 21.642 ( 0.374 -1.810 -0.096) 1.851 21.832 ( 5.353 -9.290 -2.769) 11.074 22.574 ( 2.620 6.912 1.885) 7.628 22.817 ( 0.410 0.562 -5.471) 5.515 ======================= Grid point 145 (76/128) ======================= q-point: ( 0.11 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 4.120 14.180 7.018) 16.349 1.772 ( 10.394 6.367 -8.340) 14.769 1.906 ( 3.084 0.453 10.285) 10.747 2.002 ( -4.714 4.975 9.443) 11.668 2.226 ( 6.085 1.211 -2.830) 6.819 2.317 ( 1.248 -3.992 3.735) 5.608 2.462 ( 0.771 1.774 2.857) 3.450 2.592 ( -1.252 4.262 2.169) 4.943 2.739 ( 6.168 9.121 6.900) 12.994 2.864 ( 2.271 1.184 1.795) 3.128 2.955 ( -3.094 6.362 -1.075) 7.156 3.126 ( -0.134 7.272 4.730) 8.676 3.248 ( -1.358 8.334 -1.312) 8.546 3.491 ( 1.387 6.087 4.968) 7.979 3.515 ( -3.462 5.587 1.365) 6.713 3.659 ( 1.073 -1.758 3.632) 4.175 3.777 ( 2.737 5.498 0.636) 6.174 3.814 ( -1.967 1.156 -7.913) 8.235 4.078 ( -0.236 -2.532 -2.994) 3.929 4.161 ( -7.771 -7.209 -0.638) 10.619 4.418 ( -0.040 -2.255 -1.204) 2.557 4.606 ( 0.107 -15.030 -0.690) 15.046 4.648 ( 4.542 -4.225 -3.028) 6.903 4.821 ( 4.177 -4.973 -3.515) 7.384 5.063 ( -9.571 -6.350 3.855) 12.116 5.168 ( -3.288 -6.584 1.869) 7.593 5.243 ( 0.575 -4.081 0.489) 4.151 5.269 ( 3.428 -3.787 1.549) 5.338 5.546 ( 0.578 -3.694 1.581) 4.060 5.661 ( 3.133 -7.404 0.563) 8.059 6.061 ( 2.516 6.703 -0.925) 7.220 6.122 ( 5.517 4.480 -2.231) 7.449 6.590 ( -0.304 5.187 -1.695) 5.466 6.627 ( -1.885 1.763 -0.069) 2.582 6.863 ( 2.969 5.638 -2.079) 6.702 7.061 ( 9.661 -3.501 -5.328) 11.575 8.445 ( -2.293 2.843 1.110) 3.817 8.515 ( 2.466 1.732 0.665) 3.086 8.777 ( -1.410 5.688 3.108) 6.634 9.096 ( 0.111 -1.508 -8.715) 8.845 9.757 ( -5.498 2.437 3.350) 6.884 10.009 ( -7.787 -3.990 8.397) 12.127 10.185 ( 6.174 5.182 -5.593) 9.811 10.512 ( 1.169 -5.106 -6.492) 8.342 10.596 ( -1.773 -0.946 -0.277) 2.029 10.851 ( 9.185 -7.154 -3.542) 12.169 11.766 ( -3.705 3.823 2.798) 6.015 11.788 ( -0.693 3.418 4.881) 5.998 19.383 ( -3.764 2.977 1.054) 4.914 19.549 ( 0.897 0.274 -3.869) 3.982 19.877 ( -2.351 1.678 2.970) 4.144 20.052 ( 2.008 -1.344 -1.853) 3.045 20.391 ( -5.207 2.585 -2.016) 6.153 20.595 ( 0.992 1.293 -5.087) 5.342 20.978 ( -15.740 -3.435 11.446) 19.762 21.256 ( 1.604 -2.798 7.427) 8.097 21.643 ( 0.141 -1.421 -0.339) 1.467 21.887 ( 5.368 -10.188 -2.969) 11.892 22.620 ( -0.264 6.124 1.173) 6.241 22.750 ( -0.291 2.341 -4.197) 4.814 ======================= Grid point 146 (77/128) ======================= q-point: ( 0.22 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.370 8.230 4.588) 13.288 1.862 ( 9.098 6.584 -5.305) 12.420 1.986 ( 2.151 -5.601 1.795) 6.262 2.106 ( 0.959 5.301 5.522) 7.714 2.242 ( 3.459 2.985 -4.044) 6.101 2.396 ( 4.647 -3.517 -0.848) 5.889 2.488 ( 1.132 4.251 -1.039) 4.520 2.596 ( -1.160 4.991 3.155) 6.018 2.810 ( -0.469 4.088 -7.184) 8.279 2.849 ( -3.217 8.403 -0.101) 8.999 2.931 ( -0.447 0.850 3.319) 3.455 3.121 ( -6.324 7.503 1.049) 9.868 3.248 ( 4.487 4.366 -4.260) 7.573 3.401 ( -7.516 5.626 1.488) 9.506 3.591 ( 4.314 8.020 -4.346) 10.091 3.731 ( -1.217 0.056 3.867) 4.054 3.774 ( 2.250 1.682 4.678) 5.457 3.793 ( 1.670 2.158 -1.319) 3.031 4.073 ( -1.673 -6.266 2.022) 6.793 4.150 ( 4.111 -0.968 7.750) 8.826 4.400 ( 0.585 -1.272 -2.240) 2.642 4.569 ( -2.259 -11.171 -2.932) 11.768 4.645 ( -1.682 -5.869 -0.404) 6.119 4.817 ( -0.941 -5.124 -3.181) 6.104 4.948 ( -9.078 -4.315 3.484) 10.638 5.162 ( 0.437 -5.692 0.600) 5.740 5.246 ( 2.360 -7.656 -2.564) 8.411 5.344 ( 2.388 -4.403 2.471) 5.586 5.563 ( 1.013 -4.272 -0.811) 4.465 5.696 ( 0.639 -6.584 -0.042) 6.615 6.088 ( 1.753 6.836 -0.457) 7.071 6.191 ( 6.324 2.260 -3.605) 7.622 6.527 ( -1.958 3.209 -2.822) 4.700 6.608 ( -1.675 0.665 -0.091) 1.805 6.900 ( 4.522 6.770 -2.659) 8.565 7.146 ( 9.460 -3.125 -8.026) 12.794 8.429 ( -0.563 1.800 0.417) 1.932 8.568 ( 1.730 -0.770 2.047) 2.788 8.807 ( -0.711 6.029 4.508) 7.561 8.986 ( -1.165 2.263 -7.592) 8.007 9.731 ( -3.718 2.517 5.212) 6.879 10.004 ( -6.420 -4.401 10.280) 12.895 10.225 ( 5.589 3.287 -3.774) 7.502 10.487 ( 2.653 -3.656 -2.983) 5.413 10.575 ( 0.850 -0.228 -1.076) 1.390 10.951 ( 7.747 -7.411 -4.233) 11.527 11.706 ( -4.963 5.547 0.477) 7.459 11.826 ( -1.646 1.602 3.987) 4.602 19.330 ( -3.034 0.277 0.009) 3.047 19.511 ( -1.500 -2.257 -2.139) 3.452 19.884 ( -1.466 2.966 4.153) 5.310 20.065 ( 1.036 -1.073 -0.299) 1.521 20.243 ( -8.155 1.389 -2.546) 8.655 20.551 ( -3.596 -4.935 0.205) 6.110 20.910 ( -6.204 6.365 7.958) 11.931 21.357 ( 1.095 -2.807 5.387) 6.173 21.639 ( 0.008 -1.248 -0.512) 1.349 21.938 ( 4.911 -11.334 -2.998) 12.711 22.567 ( -4.171 7.459 -2.355) 8.864 22.737 ( 1.196 2.097 -0.842) 2.557 ======================= Grid point 147 (78/128) ======================= q-point: ( 0.33 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 9.380 4.287 1.769) 10.464 1.898 ( 2.095 3.020 -6.746) 7.682 2.029 ( -1.715 -0.688 2.328) 2.972 2.144 ( 7.114 0.302 -5.685) 9.111 2.262 ( 2.934 5.407 -3.298) 6.980 2.403 ( 1.625 3.101 -8.820) 9.489 2.468 ( -0.845 4.862 -4.483) 6.667 2.607 ( -1.074 4.817 1.370) 5.122 2.718 ( -1.057 1.483 -7.434) 7.654 2.779 ( -3.063 2.462 2.671) 4.752 2.926 ( -0.406 1.600 -5.226) 5.481 3.002 ( -4.259 2.917 -0.691) 5.208 3.236 ( 1.567 1.369 -8.045) 8.310 3.298 ( -5.895 8.834 2.075) 10.821 3.524 ( 0.615 2.965 -10.091) 10.536 3.769 ( -0.704 1.135 6.858) 6.987 3.864 ( 0.426 4.690 6.413) 7.956 3.886 ( 2.169 2.412 5.382) 6.284 4.157 ( 3.778 -4.018 4.686) 7.237 4.309 ( 3.549 -0.164 6.597) 7.493 4.385 ( -0.720 -3.175 -0.013) 3.255 4.483 ( -2.633 -2.316 -2.351) 4.222 4.624 ( -1.680 -4.932 3.123) 6.075 4.733 ( -5.437 -10.592 0.010) 11.906 4.856 ( -5.387 -2.312 1.003) 5.947 5.153 ( -1.012 -2.949 -1.310) 3.382 5.281 ( 6.929 -9.389 -5.545) 12.919 5.404 ( 1.086 -6.865 2.905) 7.534 5.561 ( 0.555 -5.364 -1.849) 5.701 5.686 ( -1.071 -5.032 -0.520) 5.171 6.100 ( 0.818 6.373 -1.410) 6.578 6.234 ( 4.049 0.310 -4.082) 5.758 6.485 ( 0.290 2.576 -1.580) 3.036 6.576 ( -1.070 -0.662 -0.889) 1.541 6.929 ( 3.457 6.310 -4.671) 8.579 7.173 ( 7.196 -2.696 -10.971) 13.395 8.437 ( 0.524 0.977 0.743) 1.335 8.610 ( -0.174 -2.239 2.548) 3.396 8.836 ( -1.275 5.482 1.171) 5.749 8.912 ( 0.936 4.271 -2.427) 5.000 9.759 ( -1.601 2.460 7.289) 7.858 10.026 ( -5.892 -4.770 10.468) 12.925 10.283 ( 4.350 1.220 -0.350) 4.532 10.529 ( 3.713 -0.938 0.844) 3.921 10.605 ( 3.733 -0.846 -0.593) 3.874 10.998 ( 4.994 -6.540 -5.709) 10.015 11.626 ( -4.175 6.757 -0.755) 7.978 11.825 ( -2.950 0.254 2.237) 3.711 19.294 ( -0.622 -2.063 -0.644) 2.249 19.446 ( -3.970 -4.910 -1.086) 6.407 19.928 ( -0.783 2.477 5.769) 6.327 20.060 ( -0.308 2.201 -4.416) 4.944 20.115 ( -5.299 -0.207 4.005) 6.646 20.496 ( -5.318 -6.835 3.876) 9.489 20.934 ( -0.553 10.576 4.621) 11.555 21.406 ( -0.959 -2.352 2.426) 3.512 21.634 ( -0.024 -1.503 -0.340) 1.541 21.969 ( 3.371 -12.534 -4.070) 13.603 22.471 ( -3.165 9.285 -2.328) 10.082 22.734 ( -0.233 1.408 -1.675) 2.200 ======================= Grid point 148 (79/128) ======================= q-point: (-0.56 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -1.578 7.026 -6.018) 9.385 1.803 ( 2.193 3.235 -5.412) 6.675 2.003 ( -6.045 1.911 0.775) 6.387 2.135 ( 1.648 7.952 -16.524) 18.412 2.200 ( -2.166 0.504 -4.648) 5.153 2.305 ( -0.832 1.764 -5.260) 5.610 2.410 ( 8.381 3.664 -9.343) 13.075 2.571 ( -5.729 6.383 -2.558) 8.950 2.654 ( -2.602 -6.052 -3.643) 7.528 2.711 ( 1.504 0.798 -1.947) 2.586 2.880 ( -2.807 -1.055 -1.995) 3.602 2.967 ( 2.047 7.226 -3.941) 8.482 3.143 ( 0.589 0.432 -6.076) 6.119 3.283 ( -0.857 7.878 2.292) 8.249 3.481 ( 3.563 0.163 -1.161) 3.751 3.846 ( -0.159 2.675 7.602) 8.061 3.878 ( -5.689 -4.067 1.806) 7.223 3.953 ( -3.359 7.101 8.353) 11.466 4.208 ( -0.242 -3.489 -0.775) 3.582 4.363 ( -1.683 3.620 4.696) 6.164 4.425 ( -0.617 0.537 3.653) 3.743 4.497 ( 5.627 -5.298 1.126) 7.810 4.630 ( -2.760 -6.586 0.038) 7.141 4.690 ( 0.175 -6.934 1.395) 7.075 4.801 ( -2.232 -2.322 1.768) 3.674 5.133 ( 0.986 -4.096 -0.580) 4.252 5.310 ( 4.347 -4.810 -6.162) 8.944 5.445 ( 0.379 -10.010 0.676) 10.040 5.540 ( -0.275 -5.584 -1.117) 5.702 5.655 ( -1.767 -5.556 -0.608) 5.862 6.080 ( -0.641 6.376 -2.156) 6.761 6.228 ( 0.929 -0.953 -3.762) 3.990 6.503 ( 3.344 3.213 -0.878) 4.719 6.558 ( 0.107 -0.723 -0.663) 0.987 6.897 ( 1.806 5.532 -7.633) 9.598 7.129 ( 4.245 -2.255 -12.659) 13.540 8.456 ( -0.044 0.816 1.588) 1.786 8.620 ( -1.051 -1.837 1.233) 2.450 8.809 ( -1.701 5.259 0.436) 5.544 8.942 ( 2.442 2.254 0.164) 3.327 9.854 ( 1.012 1.536 9.749) 9.921 10.049 ( -5.576 -4.339 9.530) 11.863 10.358 ( 2.966 1.183 2.535) 4.078 10.602 ( 1.675 0.853 2.289) 2.962 10.673 ( 4.716 -2.779 -0.187) 5.477 10.990 ( 3.588 -5.136 -6.902) 9.321 11.564 ( -2.035 6.660 -0.660) 6.995 11.783 ( -3.767 -0.847 0.109) 3.862 19.299 ( 2.062 -3.060 -0.644) 3.746 19.365 ( -4.403 -5.236 -0.232) 6.845 19.925 ( -4.859 -0.056 1.601) 5.116 20.040 ( 3.496 3.042 -2.385) 5.212 20.147 ( -1.252 0.361 9.580) 9.668 20.474 ( -3.397 -4.357 4.600) 7.189 20.987 ( 0.852 10.448 4.075) 11.247 21.376 ( -4.069 -0.864 -0.586) 4.200 21.631 ( -0.171 -2.168 0.001) 2.175 21.942 ( 0.820 -11.594 -6.213) 13.180 22.435 ( 1.075 8.525 -0.429) 8.603 22.690 ( -1.129 1.292 -3.683) 4.063 ======================= Grid point 149 (80/128) ======================= q-point: (-0.44 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -9.689 13.034 -8.088) 18.143 1.754 ( -11.276 14.234 -8.780) 20.170 1.858 ( 1.514 5.610 -3.567) 6.818 1.958 ( 0.287 5.645 -9.235) 10.827 2.135 ( -0.551 -4.398 -4.241) 6.134 2.288 ( 0.497 -4.943 -1.887) 5.314 2.354 ( -9.415 2.715 -2.427) 10.095 2.423 ( 3.172 -4.683 -11.518) 12.832 2.603 ( 3.746 4.076 -3.932) 6.791 2.746 ( -4.054 1.243 -7.310) 8.450 2.834 ( 8.847 1.297 2.656) 9.328 2.942 ( 0.517 7.008 -3.711) 7.946 3.119 ( -2.465 3.442 1.593) 4.523 3.296 ( 1.033 4.460 -0.159) 4.581 3.576 ( 2.446 -3.325 3.534) 5.434 3.764 ( -7.166 -3.739 1.752) 8.271 3.957 ( 3.023 4.133 7.692) 9.241 3.991 ( -4.309 -0.430 8.909) 9.906 4.158 ( -4.261 2.051 0.190) 4.732 4.422 ( 1.313 1.977 4.791) 5.347 4.444 ( -0.276 0.341 1.186) 1.265 4.546 ( -2.337 -8.655 -2.312) 9.259 4.609 ( 3.540 -4.534 0.280) 5.759 4.704 ( 2.113 -2.750 -2.182) 4.098 4.836 ( 1.836 -3.318 3.490) 5.153 5.174 ( 3.210 -6.118 0.212) 6.912 5.283 ( 0.744 -1.050 -4.948) 5.113 5.392 ( -3.773 -8.511 -3.446) 9.927 5.552 ( -0.419 -4.304 1.518) 4.583 5.624 ( -0.361 -9.211 -0.516) 9.233 6.033 ( -2.253 6.241 -1.454) 6.793 6.183 ( -1.009 -0.567 -3.592) 3.774 6.526 ( 0.692 0.642 -2.183) 2.379 6.597 ( 5.186 2.252 0.494) 5.676 6.836 ( 2.026 5.736 -6.824) 9.142 7.021 ( 1.462 -1.515 -13.383) 13.547 8.468 ( -1.511 1.425 2.659) 3.374 8.611 ( -0.318 -0.723 -0.730) 1.076 8.795 ( -2.327 4.522 2.798) 5.804 8.975 ( 2.072 0.119 -1.127) 2.362 10.008 ( 2.472 -1.070 9.739) 10.104 10.065 ( -5.032 -3.098 8.992) 10.760 10.425 ( 1.254 1.914 1.889) 2.967 10.611 ( -3.256 0.598 1.561) 3.660 10.742 ( 4.456 -3.053 -1.385) 5.576 10.977 ( 4.659 -4.905 -6.746) 9.553 11.548 ( -0.521 5.474 1.441) 5.685 11.708 ( -3.700 -0.936 -1.893) 4.260 19.311 ( -1.977 -2.922 0.904) 3.642 19.346 ( 3.949 -2.352 -0.304) 4.606 19.871 ( -3.038 0.513 0.902) 3.210 20.051 ( 1.006 -2.611 -2.014) 3.447 20.283 ( 1.768 2.261 10.858) 11.231 20.491 ( -0.024 -0.644 3.455) 3.514 21.061 ( 0.861 7.897 6.353) 10.172 21.263 ( -6.834 1.655 -2.861) 7.591 21.627 ( -0.482 -2.813 0.333) 2.874 21.872 ( 0.511 -9.545 -6.567) 11.597 22.484 ( 3.711 5.905 0.842) 7.025 22.623 ( -0.059 2.118 -5.109) 5.531 ======================= Grid point 150 (81/128) ======================= q-point: (-0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -9.142 17.457 2.233) 19.832 1.488 ( -11.323 17.401 -2.110) 20.868 1.752 ( -0.978 8.657 -8.292) 12.028 1.980 ( -0.813 6.611 4.086) 7.814 2.059 ( -1.709 -1.368 -4.882) 5.350 2.165 ( -4.517 -3.479 -0.956) 5.781 2.255 ( -2.676 -7.792 -2.214) 8.531 2.423 ( 6.349 -7.250 -4.008) 10.438 2.590 ( -3.995 4.813 -6.233) 8.830 2.624 ( 1.511 8.774 -2.501) 9.248 2.898 ( -0.022 7.512 -1.894) 7.747 3.030 ( 7.021 2.205 2.032) 7.634 3.115 ( 3.452 4.612 0.443) 5.778 3.313 ( -1.501 -0.423 3.176) 3.538 3.506 ( -7.736 -2.470 -1.602) 8.278 3.802 ( 2.776 -2.657 3.695) 5.331 3.959 ( -6.042 1.353 0.899) 6.256 4.104 ( 3.791 2.973 5.322) 7.179 4.155 ( -2.254 -0.010 9.707) 9.965 4.441 ( -0.155 0.948 -0.014) 0.961 4.477 ( -2.301 -6.157 -1.793) 6.813 4.501 ( 1.535 -7.151 2.075) 7.603 4.620 ( 1.293 0.922 -4.730) 4.989 4.760 ( 5.059 -4.587 2.505) 7.274 4.920 ( 4.134 -4.398 1.049) 6.127 5.184 ( 2.790 -5.662 -7.345) 9.684 5.229 ( -5.558 -3.803 -0.834) 6.786 5.309 ( -1.652 -3.658 1.650) 4.340 5.519 ( -3.726 -5.624 0.006) 6.747 5.634 ( 0.303 -8.831 0.031) 8.836 5.979 ( -2.792 6.224 -0.167) 6.824 6.119 ( -1.313 1.193 -3.337) 3.780 6.506 ( 0.453 0.645 -1.844) 2.005 6.694 ( 6.671 -0.251 -2.285) 7.056 6.828 ( 2.278 6.258 -1.991) 6.951 6.880 ( 0.419 0.350 -10.748) 10.762 8.470 ( -2.480 2.284 3.366) 4.764 8.592 ( 0.084 0.587 -2.167) 2.247 8.801 ( -1.435 4.456 3.952) 6.126 8.981 ( 1.209 -0.229 -2.292) 2.602 10.046 ( -4.891 -0.936 5.307) 7.278 10.175 ( 1.615 -4.729 7.124) 8.702 10.423 ( -1.905 2.450 -0.075) 3.104 10.556 ( -4.661 -3.365 0.483) 5.769 10.786 ( 3.865 -1.586 -2.717) 4.984 10.965 ( 3.046 -5.187 -7.617) 9.706 11.561 ( -2.057 4.162 2.361) 5.208 11.648 ( -0.584 1.525 0.543) 1.721 19.324 ( 2.726 0.840 0.176) 2.858 19.417 ( 3.344 -0.770 1.631) 3.799 19.850 ( -1.378 -0.100 1.784) 2.257 20.034 ( 0.711 -4.476 -3.070) 5.474 20.404 ( 0.826 3.401 4.545) 5.736 20.575 ( 4.348 -0.175 5.441) 6.967 21.106 ( -7.111 4.538 -3.165) 9.010 21.170 ( 0.036 2.632 10.942) 11.254 21.623 ( -0.701 -3.244 0.767) 3.407 21.814 ( 1.085 -8.639 -5.605) 10.355 22.512 ( 0.075 5.020 -2.818) 5.757 22.631 ( 6.565 3.262 -1.285) 7.442 ======================= Grid point 151 (82/128) ======================= q-point: (-0.22 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -5.048 16.917 15.577) 23.544 1.321 ( -12.841 17.212 6.024) 22.303 1.695 ( 0.689 10.838 0.371) 10.866 1.907 ( -2.842 2.784 -3.601) 5.366 2.072 ( 0.761 6.645 1.020) 6.765 2.160 ( -0.704 -3.505 6.473) 7.395 2.249 ( 0.317 -7.971 4.794) 9.307 2.413 ( -4.037 -0.468 -1.476) 4.323 2.534 ( 3.528 -4.043 -3.153) 6.224 2.600 ( -0.040 8.819 -0.283) 8.824 2.940 ( 5.595 9.694 1.012) 11.238 3.087 ( 2.472 8.093 -2.405) 8.797 3.165 ( -2.885 -1.761 1.298) 3.621 3.327 ( -2.073 7.355 1.061) 7.715 3.441 ( 5.513 -5.335 -1.100) 7.749 3.784 ( -6.991 2.568 1.533) 7.603 3.952 ( 1.330 -1.035 4.175) 4.502 4.159 ( 0.873 3.492 -3.752) 5.199 4.242 ( -1.799 -4.335 8.113) 9.373 4.395 ( -3.562 -2.134 -2.036) 4.624 4.452 ( -4.150 -2.197 -2.598) 5.367 4.479 ( 3.520 -7.840 -1.278) 8.688 4.649 ( 4.900 -0.502 -1.572) 5.170 4.867 ( 1.563 -6.635 -0.719) 6.854 4.958 ( 0.962 -6.260 1.885) 6.608 5.130 ( -1.822 -6.963 -1.083) 7.279 5.166 ( 3.636 -1.704 -3.184) 5.125 5.326 ( -3.066 -3.083 5.013) 6.636 5.455 ( -3.659 -7.688 0.641) 8.539 5.610 ( -2.622 -6.603 -0.439) 7.118 5.949 ( -0.842 6.919 0.435) 6.983 6.077 ( 0.303 3.262 -2.149) 3.918 6.514 ( 2.271 0.773 -0.345) 2.423 6.708 ( -0.443 -3.068 -8.692) 9.228 6.772 ( 3.677 4.043 -2.095) 5.852 6.920 ( 4.112 3.248 1.111) 5.356 8.467 ( -2.512 3.171 3.159) 5.133 8.563 ( -0.312 1.769 -2.624) 3.180 8.841 ( 0.887 5.148 1.820) 5.532 8.982 ( 2.760 0.119 -0.671) 2.843 10.013 ( -5.601 1.083 3.827) 6.869 10.182 ( -1.448 -1.656 -4.739) 5.224 10.428 ( -6.706 -5.479 2.758) 9.088 10.451 ( -2.496 -5.104 1.729) 5.939 10.804 ( 3.870 -1.667 -6.040) 7.364 10.886 ( -0.782 -2.716 -8.207) 8.680 11.551 ( -0.846 6.277 2.738) 6.900 11.699 ( 0.523 2.320 5.671) 6.149 19.387 ( 5.898 4.454 -2.778) 7.895 19.488 ( 1.432 0.447 3.819) 4.103 19.864 ( -0.789 -0.474 3.189) 3.319 20.012 ( 2.568 -4.848 -4.768) 7.268 20.431 ( 1.447 5.660 -1.964) 6.164 20.722 ( 4.202 -3.171 4.985) 7.250 20.978 ( -5.011 6.788 -0.467) 8.450 21.299 ( -3.504 -6.446 13.847) 15.671 21.623 ( -0.335 -3.109 0.826) 3.234 21.777 ( 1.665 -7.962 -4.379) 9.238 22.485 ( 1.440 7.326 -2.413) 7.847 22.745 ( 7.716 1.703 -0.945) 7.958 ======================= Grid point 152 (83/128) ======================= q-point: (-0.11 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -13.220 17.127 6.825) 22.687 1.388 ( -0.188 13.571 21.153) 25.132 1.783 ( 3.725 9.759 1.886) 10.615 1.859 ( 1.223 0.796 2.408) 2.816 2.070 ( -1.717 9.278 1.523) 9.558 2.220 ( -3.368 -4.947 7.254) 9.404 2.359 ( 3.136 0.093 2.798) 4.204 2.379 ( -1.114 0.382 7.876) 7.964 2.568 ( 2.867 0.601 4.589) 5.444 2.645 ( 3.441 -0.782 -1.035) 3.678 3.019 ( -1.869 4.971 -3.688) 6.465 3.081 ( 5.328 6.312 4.987) 9.649 3.165 ( -0.098 11.298 -1.082) 11.350 3.305 ( 0.082 5.568 3.275) 6.461 3.536 ( 4.547 -0.485 -1.988) 4.986 3.693 ( -6.937 2.390 2.926) 7.899 4.021 ( -2.202 4.104 -2.198) 5.150 4.037 ( -1.120 -2.609 -7.054) 7.604 4.206 ( -3.711 -1.991 -4.205) 5.951 4.346 ( -3.157 -4.117 1.368) 5.366 4.396 ( -0.407 -1.390 1.754) 2.275 4.524 ( 5.323 -7.973 -3.987) 10.383 4.660 ( -3.260 -3.563 -0.180) 4.833 4.804 ( -0.185 -10.041 -2.757) 10.414 5.054 ( 3.292 -5.440 3.815) 7.415 5.156 ( 3.319 -5.300 1.609) 6.457 5.203 ( 2.324 -2.517 -0.843) 3.528 5.288 ( -6.553 -6.347 2.374) 9.427 5.452 ( -0.646 -5.995 4.588) 7.577 5.570 ( -1.322 -5.926 0.690) 6.111 5.962 ( 2.383 7.928 -0.455) 8.291 6.074 ( 1.202 4.895 -0.982) 5.135 6.562 ( 3.710 1.859 -1.794) 4.521 6.625 ( -0.830 -0.064 -0.681) 1.076 6.819 ( 3.614 2.509 -1.317) 4.592 6.969 ( 2.462 0.252 -2.186) 3.302 8.465 ( -1.468 3.857 2.277) 4.714 8.521 ( -1.449 2.847 -1.779) 3.656 8.828 ( -1.227 5.078 -2.168) 5.656 9.087 ( 8.002 -2.035 -0.069) 8.257 9.940 ( -7.493 2.612 1.929) 8.166 10.112 ( 1.784 0.073 -4.948) 5.260 10.240 ( -12.118 -4.616 0.645) 12.984 10.525 ( 1.160 -6.385 5.442) 8.469 10.725 ( 0.314 -2.170 -11.846) 12.047 10.810 ( 0.891 -1.178 -5.121) 5.329 11.609 ( 1.212 6.792 5.795) 9.010 11.766 ( -0.967 2.369 5.635) 6.189 19.427 ( 2.094 5.624 -1.852) 6.281 19.551 ( 2.862 1.486 0.084) 3.226 19.882 ( -2.046 -0.195 3.541) 4.094 20.017 ( 4.619 -3.824 -4.682) 7.607 20.426 ( 2.236 6.875 -3.315) 7.953 20.764 ( -0.308 -0.285 -4.003) 4.024 20.976 ( -0.408 2.159 8.041) 8.336 21.319 ( -12.547 -13.208 11.346) 21.462 21.633 ( 0.605 -2.339 0.180) 2.422 21.781 ( 4.076 -8.012 -2.710) 9.389 22.511 ( 2.935 8.117 0.290) 8.636 22.831 ( 5.007 -0.286 -3.686) 6.224 ======================= Grid point 153 (84/128) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -4.756 17.356 4.129) 18.464 1.732 ( -4.167 -10.751 3.349) 12.007 1.815 ( 4.456 6.631 4.380) 9.111 1.949 ( 3.446 -6.092 6.416) 9.495 2.051 ( 1.278 5.378 8.276) 9.953 2.208 ( 1.400 -7.771 6.309) 10.107 2.475 ( 2.745 3.746 -1.308) 4.825 2.551 ( 2.836 -3.666 0.478) 4.659 2.837 ( 2.488 12.309 9.614) 15.815 2.848 ( 1.859 8.729 4.769) 10.119 3.078 ( 3.749 2.663 1.747) 4.919 3.164 ( 0.451 -4.388 4.930) 6.615 3.334 ( -0.880 4.608 3.317) 5.746 3.419 ( -2.257 -3.312 1.664) 4.340 3.688 ( 1.733 9.821 2.910) 10.389 3.724 ( 2.081 4.579 -1.638) 5.290 3.908 ( -2.713 4.125 -6.568) 8.217 4.021 ( -5.113 4.169 -3.968) 7.699 4.135 ( -4.950 -8.819 -1.035) 10.166 4.163 ( -2.131 4.613 -5.166) 7.246 4.243 ( -4.162 -10.937 2.231) 11.913 4.353 ( 2.510 -7.895 -0.595) 8.305 4.597 ( 2.518 0.806 -2.244) 3.468 4.663 ( 3.433 -5.688 -2.459) 7.084 5.035 ( -3.274 -1.212 1.820) 3.937 5.095 ( -2.689 -5.727 -0.079) 6.327 5.170 ( 1.671 -0.492 0.897) 1.959 5.171 ( 2.118 -0.897 0.888) 2.465 5.449 ( 1.118 -0.600 3.363) 3.594 5.486 ( 1.638 -3.986 1.980) 4.742 6.120 ( 2.976 3.552 -1.359) 4.829 6.149 ( 1.975 0.800 -1.104) 2.400 6.637 ( 3.101 2.010 -0.544) 3.735 6.661 ( 2.793 -0.340 0.344) 2.835 6.908 ( 2.960 2.219 -1.542) 4.008 6.947 ( 2.530 -1.756 -2.256) 3.818 8.523 ( -2.188 1.419 1.373) 2.947 8.527 ( -0.422 0.974 -0.566) 1.203 8.912 ( -0.362 7.052 -0.622) 7.089 9.050 ( 1.684 -6.487 -2.410) 7.122 9.902 ( -7.501 4.075 2.331) 8.849 9.987 ( -8.198 -4.362 3.855) 10.055 10.259 ( 5.520 7.224 -2.929) 9.552 10.424 ( 3.576 -9.000 -2.002) 9.889 10.632 ( 0.081 2.748 -5.801) 6.420 10.700 ( 0.821 -3.848 -5.928) 7.115 11.789 ( -0.536 3.180 5.536) 6.407 11.822 ( -1.725 -0.098 4.667) 4.977 19.511 ( -2.080 4.117 -0.273) 4.621 19.573 ( 0.056 -1.663 -2.507) 3.009 19.911 ( -0.129 2.660 2.163) 3.431 19.980 ( 2.261 -3.699 -0.365) 4.351 20.562 ( -0.275 6.401 -3.485) 7.294 20.666 ( -1.544 -3.382 -5.532) 6.665 21.029 ( -7.666 1.020 8.680) 11.625 21.089 ( -3.651 -4.140 7.052) 8.955 21.630 ( 1.785 0.865 -0.835) 2.152 21.687 ( 3.609 -5.052 -2.015) 6.528 22.697 ( 1.910 5.427 -0.067) 5.754 22.785 ( 1.130 -3.318 -2.653) 4.396 ======================= Grid point 154 (85/128) ======================= q-point: ( 0.11 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 1.146 15.053 4.026) 15.624 1.730 ( -0.082 -12.489 2.690) 12.776 1.922 ( 7.002 8.045 -1.256) 10.739 2.071 ( 3.429 -4.946 4.715) 7.645 2.204 ( 3.671 2.608 7.767) 8.979 2.276 ( 1.038 -2.276 1.259) 2.801 2.498 ( 2.495 3.141 -0.725) 4.076 2.577 ( 1.858 -3.867 -0.864) 4.376 2.943 ( 1.362 5.539 4.812) 7.463 2.954 ( -0.289 5.456 5.205) 7.546 3.085 ( -4.474 6.535 -1.622) 8.084 3.193 ( 1.708 -2.418 0.992) 3.123 3.414 ( 1.210 8.365 7.310) 11.175 3.532 ( 5.795 -2.977 9.138) 11.223 3.651 ( -4.988 6.515 -3.316) 8.850 3.719 ( -1.396 10.788 3.758) 11.509 3.811 ( -1.567 -2.755 -7.396) 8.046 3.877 ( -4.810 2.978 -4.095) 6.984 4.013 ( -6.866 -5.747 -1.159) 9.028 4.124 ( 1.397 -2.776 1.806) 3.595 4.232 ( 0.654 -2.715 -0.090) 2.794 4.405 ( 3.383 -8.263 -0.244) 8.932 4.622 ( 2.994 1.742 -2.894) 4.514 4.709 ( 5.311 -6.232 -3.888) 9.064 4.966 ( -6.640 -1.285 2.624) 7.254 5.025 ( -4.456 -6.209 0.380) 7.652 5.204 ( 0.586 -0.104 -0.033) 0.596 5.225 ( 2.509 -1.689 0.483) 3.063 5.495 ( 1.190 -0.581 1.138) 1.746 5.536 ( 2.178 -4.470 0.678) 5.018 6.154 ( 2.652 2.874 -0.918) 4.017 6.176 ( 3.057 0.722 -1.119) 3.334 6.659 ( 0.117 1.629 -1.847) 2.465 6.661 ( -1.380 1.257 -2.030) 2.758 6.947 ( 4.897 2.986 -2.306) 6.182 6.999 ( 7.183 -2.657 -2.878) 8.182 8.496 ( -1.901 2.091 0.542) 2.877 8.524 ( -0.049 -0.621 0.369) 0.724 8.910 ( -0.259 6.939 1.099) 7.031 9.031 ( 0.279 -4.929 -3.109) 5.834 9.829 ( -6.173 4.456 4.550) 8.869 9.922 ( -6.919 -4.683 6.464) 10.563 10.300 ( 4.820 5.996 -5.615) 9.525 10.411 ( 2.055 -5.179 -6.251) 8.373 10.609 ( 1.561 2.642 -1.578) 3.450 10.705 ( 6.024 -6.736 -2.645) 9.416 11.824 ( -2.683 1.885 3.772) 4.998 11.834 ( -2.112 0.950 3.929) 4.561 19.453 ( -4.552 3.839 -0.216) 5.959 19.523 ( -2.524 -2.789 -2.241) 4.379 19.930 ( -1.243 3.523 3.293) 4.980 20.003 ( 0.212 -3.453 1.266) 3.684 20.460 ( -6.395 4.178 -3.495) 8.400 20.549 ( -5.445 -4.451 -3.672) 7.934 21.027 ( -2.989 6.555 7.385) 10.317 21.165 ( 1.440 -6.269 6.511) 9.152 21.646 ( 1.614 1.752 -1.350) 2.738 21.722 ( 3.661 -6.066 -2.530) 7.523 22.716 ( 0.290 3.536 -0.334) 3.563 22.761 ( 0.084 -0.985 -2.453) 2.644 ======================= Grid point 155 (86/128) ======================= q-point: ( 0.22 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 4.898 11.659 3.080) 13.015 1.783 ( 1.779 -11.681 3.338) 12.278 2.026 ( 7.694 8.161 -2.866) 11.576 2.149 ( -0.370 -2.441 2.698) 3.658 2.301 ( 3.542 1.622 -1.197) 4.075 2.326 ( 7.497 -2.132 -1.306) 7.903 2.540 ( 3.628 2.445 -2.175) 4.886 2.598 ( 2.467 -2.721 -2.173) 4.268 2.904 ( -6.478 2.951 -2.139) 7.433 2.924 ( -7.380 0.726 -0.711) 7.450 3.053 ( -0.744 9.449 2.688) 9.852 3.219 ( -0.217 -5.841 0.129) 5.846 3.404 ( -3.263 15.569 -6.167) 17.060 3.575 ( -3.596 9.400 -1.553) 10.183 3.613 ( 0.146 -4.113 -8.778) 9.695 3.700 ( -2.182 -3.242 2.493) 4.635 3.822 ( 2.593 0.426 10.032) 10.370 3.844 ( 0.247 0.199 4.695) 4.706 3.971 ( 0.845 1.809 5.936) 6.263 4.186 ( 0.456 -11.774 4.619) 12.655 4.279 ( 5.042 7.619 0.121) 9.138 4.444 ( 1.757 -4.838 -0.121) 5.149 4.606 ( -1.242 1.684 -2.304) 3.112 4.699 ( -2.204 -6.456 -3.434) 7.637 4.899 ( -4.239 0.511 1.544) 4.541 4.994 ( 1.741 -8.523 -1.176) 8.778 5.187 ( -1.409 0.987 -1.390) 2.211 5.253 ( 0.997 -4.724 -0.424) 4.847 5.518 ( 1.269 0.232 -0.444) 1.364 5.572 ( 1.394 -4.931 0.453) 5.144 6.183 ( 1.838 3.027 -0.719) 3.614 6.215 ( 3.067 -0.180 -1.578) 3.454 6.587 ( -1.897 2.438 -3.798) 4.896 6.614 ( -1.739 -0.315 -2.779) 3.293 7.007 ( 5.787 4.249 -3.692) 8.073 7.081 ( 7.539 -3.424 -5.184) 9.769 8.479 ( -0.948 2.913 0.808) 3.168 8.534 ( -0.072 -2.412 1.530) 2.857 8.924 ( -0.213 5.108 1.606) 5.359 8.993 ( -0.405 -1.669 -2.944) 3.408 9.805 ( -4.541 4.677 6.346) 9.097 9.906 ( -5.568 -5.260 8.171) 11.200 10.300 ( 3.289 4.227 -4.110) 6.751 10.392 ( 2.980 -4.934 -3.484) 6.735 10.641 ( 4.206 5.972 -1.415) 7.441 10.789 ( 6.867 -8.364 -2.683) 11.150 11.796 ( -4.075 3.388 1.838) 5.609 11.837 ( -2.976 -0.691 3.073) 4.333 19.365 ( -5.219 3.096 -0.382) 6.080 19.441 ( -4.587 -4.152 -1.427) 6.350 19.953 ( -2.072 3.661 5.464) 6.896 20.022 ( -1.419 -3.043 3.520) 4.864 20.308 ( -6.414 4.782 -3.084) 8.574 20.422 ( -5.876 -6.599 -1.005) 8.892 21.085 ( 0.591 9.806 4.921) 10.988 21.260 ( 1.714 -7.121 4.649) 8.676 21.651 ( 1.269 2.502 -1.837) 3.354 21.747 ( 3.249 -7.318 -3.024) 8.559 22.686 ( -1.860 4.472 -1.914) 5.208 22.744 ( 0.031 -1.351 -1.252) 1.843 ======================= Grid point 156 (87/128) ======================= q-point: ( 0.33 0.43 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 6.271 8.428 2.095) 10.711 1.851 ( 2.743 -8.556 1.288) 9.077 2.050 ( -2.051 5.604 -2.547) 6.489 2.148 ( -0.175 -2.325 -0.339) 2.356 2.374 ( 7.638 5.056 -3.333) 9.747 2.436 ( 8.584 -0.213 -5.472) 10.182 2.542 ( 3.439 2.211 -7.673) 8.694 2.585 ( 3.499 -2.834 -8.681) 9.779 2.732 ( -7.707 0.890 -5.443) 9.478 2.772 ( -9.686 -2.182 0.747) 9.957 3.016 ( -4.034 7.849 -2.328) 9.127 3.150 ( -5.142 -2.331 -1.819) 5.932 3.289 ( 0.209 10.772 -8.597) 13.783 3.469 ( -1.732 -2.376 -8.956) 9.427 3.524 ( -2.252 7.389 1.168) 7.812 3.714 ( -0.370 -7.299 2.821) 7.834 3.903 ( -1.513 3.184 5.480) 6.516 3.974 ( 2.085 -1.027 8.333) 8.651 4.125 ( 3.338 3.896 8.164) 9.642 4.255 ( 0.896 -6.006 4.481) 7.547 4.381 ( 5.098 3.757 2.421) 6.780 4.461 ( -0.938 -2.394 0.221) 2.581 4.558 ( -2.788 -0.962 1.212) 3.188 4.587 ( -6.396 -3.226 1.283) 7.278 4.860 ( -0.872 3.719 -1.412) 4.072 5.030 ( 5.835 -12.558 -5.222) 14.799 5.142 ( -0.928 2.751 -1.572) 3.301 5.261 ( 0.820 -7.975 0.092) 8.017 5.525 ( 0.451 1.356 -1.269) 1.911 5.587 ( -0.038 -4.471 -0.062) 4.472 6.191 ( 0.529 2.987 -1.335) 3.315 6.229 ( 1.161 -0.998 -2.093) 2.593 6.536 ( 0.767 2.151 -2.740) 3.567 6.564 ( -0.135 -0.743 -2.587) 2.695 7.031 ( 4.143 4.389 -6.581) 8.930 7.110 ( 5.400 -3.610 -8.173) 10.440 8.483 ( -0.333 3.315 1.542) 3.671 8.553 ( -0.452 -3.372 2.185) 4.043 8.929 ( -0.939 3.439 0.227) 3.572 8.960 ( -0.016 0.423 -1.264) 1.333 9.827 ( -2.607 4.295 7.608) 9.117 9.924 ( -4.294 -5.256 8.628) 10.978 10.333 ( 3.515 3.819 0.079) 5.191 10.430 ( 3.671 -5.722 0.319) 6.806 10.701 ( 5.023 7.180 -1.811) 8.947 10.854 ( 5.474 -7.775 -3.881) 10.271 11.739 ( -4.345 4.593 0.551) 6.346 11.806 ( -3.996 -2.151 1.600) 4.812 19.287 ( -3.510 1.448 -0.035) 3.797 19.348 ( -4.946 -4.403 -0.487) 6.640 19.977 ( -4.047 2.617 6.049) 7.735 20.032 ( -2.995 -2.815 4.016) 5.747 20.208 ( -1.875 6.919 -0.683) 7.201 20.352 ( -2.566 -7.386 1.464) 7.954 21.147 ( 0.852 10.323 3.167) 10.831 21.321 ( 0.271 -6.646 2.544) 7.121 21.645 ( 0.903 2.833 -2.194) 3.696 21.755 ( 2.428 -8.356 -3.717) 9.462 22.628 ( -1.847 6.343 -2.315) 7.000 22.719 ( -0.855 -2.779 -1.979) 3.517 ======================= Grid point 157 (88/128) ======================= q-point: (-0.56 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 3.684 7.550 -1.099) 8.472 1.889 ( 3.364 0.729 -4.116) 5.365 1.956 ( -5.095 0.926 1.365) 5.356 2.105 ( -3.732 -8.083 -2.961) 9.382 2.336 ( -0.762 9.354 -17.019) 19.435 2.401 ( -4.960 6.280 -3.663) 8.801 2.473 ( 2.984 -2.270 -15.110) 15.568 2.520 ( -5.688 -4.858 -3.030) 8.071 2.617 ( 4.432 1.871 -4.346) 6.483 2.700 ( 5.692 -3.345 -3.908) 7.672 2.930 ( -2.399 7.063 -1.261) 7.565 3.073 ( -1.549 -5.119 -0.442) 5.366 3.194 ( -0.488 10.170 -7.226) 12.485 3.361 ( -0.674 -4.681 -5.818) 7.498 3.538 ( -0.468 9.247 4.854) 10.454 3.728 ( -2.359 -8.473 2.256) 9.080 3.952 ( -0.635 6.397 7.038) 9.532 4.072 ( -0.765 -0.515 5.046) 5.129 4.169 ( -6.722 2.367 6.196) 9.444 4.318 ( -0.650 -6.197 4.296) 7.569 4.389 ( -5.910 -2.213 1.055) 6.398 4.456 ( 0.742 -5.191 0.061) 5.244 4.551 ( 3.323 6.150 2.790) 7.527 4.632 ( 2.654 -2.695 3.178) 4.940 4.832 ( 0.789 6.071 -2.848) 6.752 5.030 ( 3.688 -11.379 -7.158) 13.940 5.161 ( 3.445 1.658 0.776) 3.901 5.298 ( 2.148 -8.832 2.290) 9.374 5.494 ( -1.296 1.890 -2.732) 3.566 5.562 ( -2.127 -4.173 -1.192) 4.833 6.171 ( -0.637 2.951 -1.796) 3.512 6.209 ( -0.464 -1.167 -2.009) 2.369 6.543 ( 2.789 0.981 -2.488) 3.864 6.553 ( 2.275 -0.049 -1.792) 2.897 6.993 ( 2.497 4.420 -8.666) 10.043 7.073 ( 2.990 -3.477 -9.677) 10.708 8.499 ( -0.563 3.147 2.199) 3.881 8.567 ( -0.905 -3.315 2.033) 3.992 8.906 ( -1.116 4.080 -0.349) 4.244 8.957 ( 0.226 -0.879 -0.328) 0.965 9.896 ( -0.745 2.766 8.791) 9.246 9.964 ( -3.182 -3.990 8.623) 10.020 10.407 ( 3.132 3.810 2.533) 5.545 10.506 ( 3.333 -5.906 1.881) 7.037 10.753 ( 3.531 6.262 -1.806) 7.413 10.879 ( 3.761 -6.099 -4.688) 8.563 11.675 ( -3.480 4.575 -0.053) 5.748 11.747 ( -4.274 -2.715 0.225) 5.069 19.259 ( -0.117 -0.565 0.560) 0.804 19.282 ( -2.615 -2.834 0.477) 3.885 19.950 ( -5.045 2.470 3.105) 6.419 20.012 ( -3.227 -3.382 1.781) 5.002 20.243 ( 2.031 6.716 5.214) 8.742 20.371 ( 0.518 -5.918 4.101) 7.219 21.184 ( -0.194 8.964 2.352) 9.269 21.325 ( -2.130 -4.781 0.716) 5.283 21.631 ( 0.596 2.516 -2.275) 3.444 21.738 ( 1.365 -8.214 -4.457) 9.444 22.583 ( 0.050 6.169 -2.223) 6.557 22.674 ( -0.705 -2.794 -3.219) 4.320 ======================= Grid point 158 (89/128) ======================= q-point: (-0.44 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -5.403 14.991 -6.142) 17.078 1.934 ( 2.234 2.080 2.796) 4.139 1.937 ( -6.110 2.064 -1.385) 6.596 1.964 ( -0.084 -10.209 -5.358) 11.530 2.103 ( -2.115 7.018 -14.881) 16.588 2.218 ( -7.379 -1.670 -7.333) 10.536 2.331 ( 0.066 -3.387 -10.268) 10.813 2.348 ( -10.150 -2.697 -2.227) 10.736 2.699 ( 8.969 5.307 -5.929) 11.990 2.784 ( 9.260 -1.992 -4.331) 10.415 2.913 ( 0.757 8.958 0.267) 8.994 3.080 ( 2.521 -6.097 -1.737) 6.822 3.124 ( -1.247 9.528 -1.207) 9.685 3.299 ( -0.443 -6.441 -3.612) 7.398 3.603 ( -0.261 6.478 5.192) 8.306 3.699 ( -4.127 -3.025 4.038) 6.518 4.006 ( -8.318 4.893 8.043) 12.563 4.066 ( 1.261 5.150 3.852) 6.554 4.177 ( -0.727 -2.475 4.055) 4.806 4.253 ( -8.044 -14.684 2.861) 16.986 4.392 ( -0.361 1.316 3.449) 3.710 4.470 ( -0.594 -3.793 1.557) 4.143 4.628 ( 4.599 4.532 -1.606) 6.653 4.685 ( 2.814 -1.355 -1.886) 3.649 4.835 ( 2.850 4.622 -1.415) 5.611 5.009 ( 3.135 -10.945 -6.140) 12.935 5.242 ( 2.848 3.455 3.240) 5.527 5.367 ( -0.060 -3.685 3.293) 4.943 5.430 ( -0.069 -2.003 -4.020) 4.492 5.494 ( -3.402 -4.642 -2.323) 6.207 6.130 ( -1.866 3.294 -1.612) 4.115 6.170 ( -1.422 -1.056 -1.838) 2.552 6.547 ( 1.996 1.897 -3.059) 4.116 6.593 ( 4.620 -2.103 -2.804) 5.799 6.934 ( 2.292 4.106 -7.145) 8.554 6.994 ( 1.223 -1.905 -9.294) 9.566 8.513 ( -1.213 2.862 2.676) 4.102 8.572 ( -0.908 -2.771 1.503) 3.281 8.890 ( -0.889 4.417 0.544) 4.538 8.957 ( 0.484 -2.122 -0.649) 2.271 9.996 ( -0.140 0.076 8.514) 8.515 10.015 ( -2.658 -1.811 8.230) 8.836 10.475 ( 1.480 3.303 1.398) 3.880 10.556 ( 0.553 -4.550 -0.314) 4.595 10.774 ( 1.576 4.617 -1.145) 5.011 10.876 ( 2.647 -5.250 -4.398) 7.342 11.634 ( -1.836 3.269 0.821) 3.838 11.682 ( -3.158 -1.740 -0.162) 3.610 19.280 ( 1.284 -0.189 1.448) 1.944 19.300 ( 3.789 -1.989 0.660) 4.330 19.903 ( -3.656 2.840 1.421) 4.843 19.976 ( -2.458 -4.233 0.287) 4.903 20.363 ( 2.874 4.804 7.227) 9.142 20.449 ( 2.086 -3.466 4.928) 6.375 21.199 ( -1.561 5.615 2.808) 6.469 21.270 ( -4.462 -1.406 -0.352) 4.691 21.614 ( 0.376 1.754 -1.988) 2.677 21.702 ( 0.864 -6.959 -4.504) 8.334 22.582 ( 2.467 3.813 -1.723) 4.857 22.632 ( 1.125 -1.101 -3.802) 4.115 ======================= Grid point 159 (90/128) ======================= q-point: (-0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -6.039 17.038 0.496) 18.084 1.756 ( -7.763 5.848 -2.163) 9.957 1.891 ( -4.770 0.942 -5.204) 7.121 1.972 ( -1.851 -3.781 -1.833) 4.592 2.015 ( -0.556 -1.490 5.867) 6.079 2.093 ( 1.637 0.447 -3.325) 3.733 2.145 ( -8.522 -2.787 -3.746) 9.717 2.256 ( 3.019 -8.590 -6.998) 11.484 2.751 ( 5.214 9.790 -4.626) 12.018 2.851 ( 1.872 8.134 -2.817) 8.810 2.961 ( 5.338 -0.943 -0.668) 5.461 3.076 ( 2.244 -1.618 -4.660) 5.419 3.148 ( 1.218 3.931 4.336) 5.978 3.274 ( 2.573 -4.887 -2.380) 6.014 3.588 ( -6.338 10.374 4.252) 12.879 3.739 ( 0.481 -3.898 4.687) 6.115 3.964 ( -5.784 2.099 6.993) 9.314 4.155 ( 3.297 0.594 1.582) 3.704 4.168 ( -5.207 -12.216 2.833) 13.578 4.206 ( -0.650 -0.617 2.098) 2.281 4.419 ( -1.202 -0.827 2.980) 3.318 4.460 ( -3.152 -2.655 2.073) 4.613 4.672 ( 3.668 3.134 -2.596) 5.479 4.710 ( 4.367 -1.053 -2.275) 5.035 4.880 ( 3.612 1.460 -1.188) 4.073 4.991 ( 1.777 -8.862 -3.778) 9.797 5.278 ( -3.357 4.789 -3.043) 6.593 5.329 ( -0.247 4.592 2.168) 5.084 5.397 ( -4.078 -6.476 -3.165) 8.282 5.460 ( 0.734 -8.184 2.092) 8.479 6.082 ( -1.617 3.802 -0.948) 4.239 6.127 ( -0.993 -0.755 -1.598) 2.027 6.540 ( 1.887 3.045 -3.210) 4.810 6.622 ( 4.082 -4.834 -4.662) 7.859 6.907 ( 0.799 2.154 -5.767) 6.208 6.917 ( 2.316 1.265 -4.331) 5.072 8.522 ( -1.683 2.749 2.930) 4.356 8.572 ( -0.778 -2.095 0.888) 2.405 8.896 ( 0.396 4.335 1.332) 4.552 8.960 ( 0.992 -2.087 -0.868) 2.468 10.047 ( -2.804 1.106 5.997) 6.712 10.091 ( -0.551 -3.376 6.946) 7.743 10.462 ( -2.674 1.682 -2.267) 3.889 10.501 ( -4.232 -2.296 -3.146) 5.751 10.794 ( 2.436 2.346 -1.558) 3.724 10.866 ( 1.892 -4.549 -4.061) 6.385 11.630 ( -1.198 2.635 2.350) 3.728 11.661 ( -0.363 -0.413 2.338) 2.401 19.353 ( 5.557 1.939 1.011) 5.972 19.392 ( 5.780 -1.775 0.999) 6.128 19.868 ( -2.197 2.351 1.114) 3.405 19.941 ( -1.265 -4.585 -1.028) 4.867 20.481 ( 2.248 3.957 4.664) 6.516 20.548 ( 3.193 -2.563 4.464) 6.057 21.183 ( -5.372 2.728 0.118) 6.026 21.204 ( -2.991 0.590 4.462) 5.404 21.599 ( 0.349 0.988 -1.403) 1.751 21.667 ( 0.911 -5.739 -3.771) 6.927 22.599 ( 2.362 3.660 -2.463) 5.004 22.649 ( 4.964 -1.101 -1.848) 5.410 ======================= Grid point 160 (91/128) ======================= q-point: (-0.22 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -3.786 16.090 9.447) 19.038 1.640 ( -9.955 14.041 4.749) 17.855 1.778 ( -3.258 -3.684 0.848) 4.990 1.924 ( -6.948 -9.513 1.810) 11.918 1.996 ( -0.089 0.648 -3.321) 3.384 2.052 ( -3.444 -4.461 6.532) 8.627 2.191 ( 7.129 0.863 4.272) 8.355 2.292 ( 7.674 -8.195 -1.916) 11.389 2.764 ( 1.465 16.387 -3.030) 16.729 2.809 ( -2.340 10.966 -0.793) 11.241 3.021 ( 2.355 -6.573 -1.943) 7.247 3.053 ( 0.681 -3.869 -1.585) 4.236 3.257 ( 5.898 5.554 3.271) 8.737 3.342 ( 6.465 -3.515 -0.456) 7.373 3.550 ( -3.090 13.852 3.678) 14.661 3.756 ( -3.002 -5.328 1.249) 6.242 3.971 ( -1.958 3.100 4.215) 5.587 4.147 ( -1.357 -12.659 2.361) 12.949 4.196 ( -0.447 -0.376 3.519) 3.568 4.220 ( 1.409 -1.928 -2.301) 3.316 4.395 ( -3.111 0.689 -1.413) 3.486 4.431 ( -2.366 -2.361 0.420) 3.369 4.688 ( 1.176 3.011 -1.415) 3.529 4.757 ( 0.371 -4.193 -1.989) 4.656 4.904 ( 2.105 0.970 -0.796) 2.450 4.983 ( 1.821 -6.342 -1.225) 6.711 5.191 ( 0.384 3.350 -4.088) 5.299 5.288 ( -3.470 -5.295 -3.352) 7.163 5.360 ( -2.093 2.457 4.803) 5.787 5.468 ( -2.847 -7.027 2.585) 8.011 6.065 ( 0.721 4.309 -0.518) 4.399 6.111 ( 1.087 -0.172 -1.178) 1.612 6.546 ( 2.689 2.623 -1.917) 4.218 6.618 ( 2.367 -4.517 -4.726) 6.953 6.867 ( 1.382 4.322 -2.786) 5.324 6.930 ( 1.982 -1.725 -1.243) 2.907 8.527 ( -1.752 2.665 2.767) 4.222 8.566 ( -0.918 -1.101 0.361) 1.478 8.929 ( 1.655 3.386 0.150) 3.772 8.973 ( 2.104 -1.174 -0.328) 2.432 10.057 ( -3.445 3.189 4.384) 6.423 10.128 ( -2.065 -3.541 1.988) 4.556 10.360 ( -7.010 -1.106 -2.742) 7.608 10.378 ( -3.293 -2.544 -1.760) 4.518 10.796 ( 2.059 1.001 -5.457) 5.918 10.834 ( 0.840 -2.479 -5.410) 6.010 11.658 ( -0.051 4.195 4.394) 6.076 11.711 ( 0.387 -1.092 5.244) 5.370 19.466 ( 7.351 2.921 -1.421) 8.037 19.495 ( 4.304 -0.155 1.676) 4.621 19.862 ( -0.724 1.032 2.016) 2.378 19.917 ( 1.026 -4.279 -2.041) 4.850 20.544 ( 2.196 5.580 0.256) 6.002 20.646 ( 3.291 -4.546 2.440) 6.120 21.104 ( -5.424 5.537 1.691) 7.934 21.197 ( -5.830 -4.259 6.037) 9.411 21.596 ( 0.862 0.426 -0.763) 1.228 21.648 ( 1.413 -4.767 -2.636) 5.627 22.621 ( 3.143 6.150 -1.572) 7.084 22.721 ( 5.233 -3.583 -1.266) 6.468 ======================= Grid point 161 (92/128) ======================= q-point: (-0.11 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -10.004 17.521 3.945) 20.557 1.642 ( -0.942 11.615 14.745) 18.794 1.811 ( -3.321 -7.569 3.061) 8.814 1.829 ( -1.058 -7.910 3.915) 8.889 1.988 ( -0.033 0.987 1.840) 2.088 2.112 ( 0.929 -8.238 5.975) 10.219 2.378 ( 6.810 1.621 5.190) 8.714 2.438 ( 6.985 -3.931 3.903) 8.915 2.738 ( -1.116 18.015 2.282) 18.194 2.801 ( 0.485 10.081 0.814) 10.125 3.021 ( 0.714 -4.028 1.057) 4.225 3.080 ( 2.514 -5.952 1.019) 6.541 3.355 ( -0.581 6.561 1.597) 6.778 3.419 ( 2.685 0.933 0.875) 2.974 3.594 ( 4.121 8.543 1.692) 9.635 3.713 ( -0.948 -1.656 -0.252) 1.925 3.977 ( -0.791 2.016 0.015) 2.166 4.155 ( -1.162 -9.117 -3.876) 9.975 4.168 ( -2.307 2.796 -0.133) 3.627 4.225 ( -1.983 1.632 1.533) 2.991 4.317 ( -2.337 -4.374 -2.017) 5.354 4.370 ( -3.442 -5.380 -1.823) 6.642 4.645 ( -3.805 -0.387 -4.839) 6.168 4.670 ( -0.324 -2.823 -2.558) 3.824 4.985 ( 3.889 -0.414 3.162) 5.029 5.046 ( 4.362 -5.426 2.274) 7.324 5.173 ( 0.623 -0.032 -2.538) 2.613 5.202 ( -3.563 -2.691 -1.473) 4.702 5.392 ( -0.409 0.421 4.616) 4.653 5.454 ( -1.914 -5.095 3.118) 6.272 6.087 ( 2.569 4.362 -0.905) 5.143 6.128 ( 2.164 0.363 -1.057) 2.436 6.588 ( 4.097 1.100 -0.815) 4.319 6.612 ( 2.074 -1.190 -1.549) 2.849 6.879 ( 2.269 3.413 -0.973) 4.213 6.942 ( 1.176 -2.574 -1.212) 3.079 8.529 ( -1.386 2.271 1.881) 3.259 8.550 ( -1.362 0.149 0.122) 1.375 8.930 ( 0.259 5.078 -1.853) 5.412 9.024 ( 3.347 -4.178 -0.425) 5.371 10.008 ( -7.295 3.792 1.832) 8.423 10.080 ( -5.201 -3.233 0.960) 6.199 10.238 ( -1.750 4.289 -1.982) 5.039 10.371 ( 1.730 -8.167 1.325) 8.453 10.726 ( 0.095 1.792 -8.599) 8.784 10.772 ( 0.093 -2.427 -6.355) 6.803 11.723 ( 0.240 4.426 5.782) 7.286 11.778 ( -0.411 -1.113 5.689) 5.811 19.525 ( 1.875 3.847 -1.371) 4.494 19.568 ( 3.197 -0.352 -0.762) 3.306 19.883 ( -0.038 1.152 2.404) 2.666 19.938 ( 3.634 -3.887 -1.450) 5.515 20.569 ( 2.656 7.316 -2.478) 8.168 20.702 ( 2.594 -5.526 -1.904) 6.394 21.047 ( -5.752 4.370 4.880) 8.718 21.142 ( -9.558 -5.772 6.692) 13.018 21.610 ( 1.594 0.272 -0.539) 1.704 21.656 ( 2.683 -4.441 -1.803) 5.493 22.660 ( 2.855 6.810 -0.530) 7.403 22.776 ( 3.413 -4.646 -1.931) 6.080 ======================= Grid point 189 (93/128) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -8.134 0.000 16.879) 18.737 1.258 ( 9.464 0.000 -8.178) 12.508 1.515 ( -0.677 0.000 11.877) 11.896 1.874 ( 0.104 0.000 -18.104) 18.104 2.286 ( 1.721 0.000 19.111) 19.189 2.368 ( -3.754 0.000 9.258) 9.991 2.506 ( 2.476 0.000 6.525) 6.979 2.563 ( 0.268 0.000 -3.476) 3.486 2.626 ( 5.349 0.000 -2.110) 5.750 2.705 ( -3.756 0.000 -5.066) 6.306 2.948 ( -0.487 0.000 0.548) 0.733 2.952 ( 0.243 0.000 2.017) 2.032 3.129 ( 1.534 0.000 7.179) 7.341 3.226 ( -2.289 0.000 -1.563) 2.772 3.536 ( 6.414 0.000 3.780) 7.445 3.558 ( -3.530 0.000 -1.890) 4.004 3.794 ( -6.236 0.000 -4.293) 7.571 3.795 ( 2.177 0.000 -2.517) 3.328 4.174 ( -0.404 0.000 1.328) 1.388 4.297 ( 0.153 0.000 -6.550) 6.551 4.501 ( -9.607 0.000 2.086) 9.831 4.556 ( 10.966 0.000 -2.038) 11.153 5.041 ( -4.123 0.000 1.851) 4.520 5.084 ( 4.689 0.000 -2.037) 5.112 5.320 ( 1.775 0.000 4.530) 4.866 5.358 ( -4.423 0.000 1.458) 4.658 5.475 ( 0.698 0.000 -1.772) 1.905 5.499 ( 0.840 0.000 -4.335) 4.416 5.580 ( 4.444 0.000 4.135) 6.070 5.662 ( -6.501 0.000 -3.286) 7.285 5.781 ( -2.378 0.000 4.407) 5.008 5.853 ( 4.649 0.000 -2.265) 5.172 6.414 ( 2.260 0.000 5.849) 6.271 6.533 ( -2.219 0.000 -5.369) 5.809 6.787 ( -4.892 0.000 5.234) 7.164 6.908 ( 8.901 0.000 -6.647) 11.109 8.406 ( 0.941 0.000 1.453) 1.731 8.407 ( -1.838 0.000 1.856) 2.612 8.746 ( -0.914 0.000 6.099) 6.167 8.947 ( 2.555 0.000 -12.506) 12.764 9.845 ( -6.653 0.000 2.454) 7.091 9.924 ( 5.779 0.000 -5.228) 7.793 10.351 ( -8.435 0.000 8.482) 11.963 10.543 ( 5.122 0.000 -10.035) 11.267 10.745 ( -7.229 0.000 2.062) 7.517 10.781 ( 8.919 0.000 -1.685) 9.077 11.692 ( 4.025 0.000 4.248) 5.852 11.731 ( -4.137 0.000 0.597) 4.180 19.348 ( -0.362 0.000 3.668) 3.686 19.429 ( 0.960 0.000 -4.091) 4.203 19.908 ( -2.667 0.000 2.360) 3.561 19.969 ( 3.259 0.000 -4.071) 5.215 20.354 ( 2.948 0.000 4.620) 5.480 20.470 ( -3.052 0.000 -6.329) 7.027 21.317 ( 3.771 0.000 7.752) 8.620 21.451 ( -6.569 0.000 -5.396) 8.501 21.983 ( -10.339 0.000 5.848) 11.879 22.099 ( 7.845 0.000 -5.259) 9.445 22.426 ( -2.389 0.000 3.900) 4.573 22.513 ( 3.102 0.000 -4.401) 5.385 ======================= Grid point 190 (94/128) ======================= q-point: ( 0.11 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 6.041 0.000 11.076) 12.616 1.334 ( 18.280 0.000 -14.913) 23.591 1.704 ( 5.131 0.000 -16.649) 17.422 1.739 ( 3.469 0.000 18.393) 18.717 2.371 ( -3.483 0.000 -9.401) 10.025 2.439 ( -0.917 0.000 7.525) 7.581 2.462 ( -3.670 0.000 5.351) 6.488 2.532 ( -1.348 0.000 -7.257) 7.381 2.556 ( -4.951 0.000 -7.205) 8.742 2.730 ( 4.428 0.000 3.238) 5.486 2.975 ( 3.232 0.000 4.162) 5.270 2.983 ( 1.468 0.000 -3.705) 3.986 3.155 ( -2.030 0.000 -5.666) 6.019 3.225 ( 0.837 0.000 4.543) 4.620 3.449 ( -6.257 0.000 -1.725) 6.490 3.613 ( 2.806 0.000 -2.684) 3.883 3.747 ( 0.803 0.000 5.148) 5.210 3.873 ( 5.385 0.000 2.988) 6.158 4.235 ( 1.876 0.000 -7.015) 7.261 4.247 ( 2.162 0.000 8.067) 8.352 4.355 ( -9.795 0.000 2.200) 10.039 4.668 ( 6.096 0.000 -4.053) 7.321 4.979 ( -5.497 0.000 1.381) 5.668 5.111 ( 1.035 0.000 -1.693) 1.985 5.269 ( -5.715 0.000 -0.424) 5.731 5.374 ( -6.191 0.000 -1.029) 6.276 5.437 ( 2.325 0.000 4.422) 4.996 5.468 ( -0.387 0.000 0.302) 0.491 5.558 ( -1.321 0.000 -5.403) 5.562 5.668 ( -0.166 0.000 4.358) 4.361 5.885 ( 8.814 0.000 2.874) 9.270 5.941 ( 9.702 0.000 -4.998) 10.914 6.436 ( -1.403 0.000 -5.624) 5.796 6.526 ( 2.954 0.000 5.513) 6.254 6.748 ( -5.474 0.000 2.974) 6.229 6.959 ( 8.399 0.000 -9.257) 12.499 8.411 ( 0.869 0.000 0.220) 0.897 8.462 ( 4.148 0.000 0.910) 4.246 8.800 ( -3.474 0.000 8.285) 8.984 8.818 ( -1.111 0.000 -9.887) 9.949 9.795 ( -4.346 0.000 4.582) 6.315 9.994 ( 8.258 0.000 -2.693) 8.686 10.344 ( -7.134 0.000 11.772) 13.765 10.521 ( 3.176 0.000 -6.216) 6.980 10.664 ( -3.112 0.000 0.804) 3.214 10.905 ( 9.110 0.000 -3.620) 9.803 11.635 ( -6.244 0.000 -2.175) 6.612 11.776 ( 1.921 0.000 1.779) 2.619 19.398 ( 1.462 0.000 3.469) 3.764 19.399 ( 1.247 0.000 -4.189) 4.371 19.890 ( -2.640 0.000 2.300) 3.501 19.981 ( 3.036 0.000 -3.093) 4.334 20.342 ( -4.175 0.000 -5.250) 6.708 20.462 ( 2.739 0.000 5.747) 6.366 21.248 ( -11.737 0.000 -2.423) 11.984 21.445 ( 1.093 0.000 7.099) 7.182 21.904 ( -7.808 0.000 6.254) 10.004 22.155 ( 4.577 0.000 -3.316) 5.652 22.430 ( -2.163 0.000 2.708) 3.466 22.504 ( 2.296 0.000 -4.226) 4.810 ======================= Grid point 191 (95/128) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 9.871 0.000 -5.585) 11.341 1.504 ( 19.194 0.000 -11.323) 22.285 1.713 ( 12.407 0.000 -4.717) 13.274 2.008 ( 4.933 0.000 13.346) 14.228 2.107 ( -5.239 0.000 -18.072) 18.816 2.286 ( -10.403 0.000 -14.322) 17.702 2.385 ( -2.916 0.000 -7.986) 8.502 2.486 ( -0.006 0.000 1.551) 1.551 2.535 ( -2.372 0.000 9.355) 9.651 2.796 ( 1.828 0.000 -1.350) 2.273 2.892 ( -0.801 0.000 -9.932) 9.964 3.054 ( -0.763 0.000 -6.227) 6.273 3.141 ( 5.631 0.000 7.423) 9.317 3.224 ( -4.250 0.000 -3.004) 5.204 3.346 ( -1.206 0.000 -0.034) 1.207 3.596 ( -1.014 0.000 -1.786) 2.054 3.891 ( 4.893 0.000 7.865) 9.263 3.994 ( 0.641 0.000 6.633) 6.664 4.190 ( -3.155 0.000 1.882) 3.673 4.290 ( 2.017 0.000 -0.738) 2.148 4.402 ( 4.698 0.000 7.207) 8.603 4.651 ( -1.835 0.000 -4.400) 4.767 4.890 ( -6.313 0.000 0.017) 6.313 5.081 ( -2.534 0.000 -1.170) 2.791 5.164 ( -5.907 0.000 -1.179) 6.024 5.283 ( -4.699 0.000 3.024) 5.588 5.428 ( -1.397 0.000 -9.042) 9.149 5.488 ( 1.824 0.000 1.592) 2.421 5.567 ( 3.198 0.000 4.357) 5.404 5.717 ( 2.061 0.000 2.221) 3.030 6.034 ( 9.668 0.000 -6.963) 11.914 6.056 ( 6.130 0.000 2.808) 6.742 6.366 ( 0.443 0.000 -4.429) 4.451 6.622 ( 1.877 0.000 2.652) 3.249 6.684 ( -5.317 0.000 1.939) 5.660 6.965 ( 7.381 0.000 -12.054) 14.134 8.439 ( 2.548 0.000 -0.543) 2.605 8.552 ( 6.675 0.000 -2.489) 7.124 8.715 ( -1.453 0.000 -2.107) 2.559 8.812 ( -5.305 0.000 6.365) 8.286 9.810 ( -2.243 0.000 7.274) 7.612 10.121 ( 9.453 0.000 -1.504) 9.572 10.377 ( -6.896 0.000 13.018) 14.731 10.503 ( -0.265 0.000 0.777) 0.821 10.691 ( 4.456 0.000 0.912) 4.549 10.987 ( 7.465 0.000 -5.784) 9.444 11.483 ( -7.265 0.000 -4.035) 8.310 11.800 ( 0.415 0.000 -0.921) 1.010 19.373 ( 1.065 0.000 -3.393) 3.556 19.477 ( 3.415 0.000 2.756) 4.388 19.877 ( -2.694 0.000 3.082) 4.094 19.987 ( 2.080 0.000 -3.817) 4.347 20.226 ( -3.756 0.000 -1.950) 4.232 20.578 ( 2.762 0.000 6.372) 6.945 21.026 ( -12.872 0.000 -0.395) 12.878 21.511 ( -1.877 0.000 4.670) 5.034 21.866 ( -5.419 0.000 5.563) 7.767 22.163 ( -0.652 0.000 -1.102) 1.280 22.403 ( -1.928 0.000 -1.738) 2.595 22.491 ( 1.876 0.000 -3.954) 4.376 ======================= Grid point 192 (96/128) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 11.339 0.000 -14.837) 18.674 1.588 ( 4.313 0.000 -13.442) 14.116 1.814 ( -3.960 0.000 -17.599) 18.039 1.827 ( -7.372 0.000 -12.539) 14.545 2.011 ( 8.473 0.000 -2.438) 8.817 2.128 ( 5.565 0.000 -3.756) 6.714 2.413 ( 5.924 0.000 7.428) 9.501 2.486 ( -2.674 0.000 1.913) 3.288 2.537 ( -7.319 0.000 5.211) 8.984 2.776 ( 1.594 0.000 -6.156) 6.359 2.806 ( 3.342 0.000 -8.777) 9.392 2.997 ( 1.683 0.000 -3.826) 4.180 3.017 ( -7.152 0.000 -9.616) 11.984 3.201 ( -8.304 0.000 6.322) 10.436 3.517 ( 13.978 0.000 5.584) 15.052 3.574 ( -0.450 0.000 2.085) 2.133 4.010 ( -6.798 0.000 6.917) 9.699 4.029 ( 1.945 0.000 4.846) 5.221 4.220 ( 2.136 0.000 3.617) 4.201 4.356 ( 1.297 0.000 2.877) 3.156 4.522 ( -1.028 0.000 -2.440) 2.648 4.536 ( -0.979 0.000 -1.716) 1.976 4.781 ( -4.146 0.000 -2.305) 4.743 4.991 ( -4.704 0.000 -2.595) 5.373 5.083 ( -4.902 0.000 3.131) 5.817 5.246 ( -3.168 0.000 -3.698) 4.869 5.339 ( 1.682 0.000 0.326) 1.714 5.552 ( 2.187 0.000 2.533) 3.346 5.661 ( 2.022 0.000 3.930) 4.420 5.789 ( 3.620 0.000 1.400) 3.882 6.087 ( 7.284 0.000 -8.144) 10.926 6.121 ( -1.117 0.000 0.664) 1.300 6.354 ( 2.934 0.000 -2.441) 3.817 6.608 ( -3.376 0.000 -1.814) 3.833 6.645 ( -2.308 0.000 1.221) 2.611 6.924 ( 6.220 0.000 -13.824) 15.158 8.474 ( 2.661 0.000 -1.156) 2.901 8.569 ( 1.329 0.000 -4.525) 4.716 8.763 ( 5.021 0.000 2.644) 5.674 8.798 ( -3.612 0.000 5.107) 6.255 9.895 ( 0.575 0.000 9.910) 9.927 10.249 ( 7.776 0.000 -1.701) 7.960 10.410 ( -7.729 0.000 12.955) 15.085 10.554 ( 0.901 0.000 6.610) 6.671 10.780 ( 3.441 0.000 0.007) 3.441 11.017 ( 5.863 0.000 -7.832) 9.783 11.340 ( -4.182 0.000 -1.546) 4.459 11.770 ( -0.450 0.000 -4.027) 4.052 19.361 ( 1.339 0.000 -1.709) 2.171 19.547 ( 1.497 0.000 0.242) 1.517 19.873 ( -2.962 0.000 4.130) 5.083 19.956 ( 1.234 0.000 -4.503) 4.669 20.208 ( 1.303 0.000 2.763) 3.055 20.706 ( 2.989 0.000 7.598) 8.165 20.816 ( -11.871 0.000 -0.579) 11.885 21.474 ( -6.329 0.000 -0.210) 6.333 21.852 ( -4.017 0.000 5.366) 6.703 22.106 ( -2.841 0.000 -2.936) 4.085 22.350 ( 0.307 0.000 -3.537) 3.550 22.470 ( 1.113 0.000 -4.034) 4.184 ======================= Grid point 193 (97/128) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -2.376 0.000 -12.262) 12.490 1.371 ( -6.518 0.000 -13.759) 15.225 1.510 ( 0.016 0.000 -11.423) 11.423 1.569 ( -4.483 0.000 -11.695) 12.525 2.204 ( 7.164 0.000 0.562) 7.186 2.221 ( 7.846 0.000 -3.046) 8.417 2.430 ( -4.141 0.000 1.044) 4.270 2.452 ( -2.418 0.000 1.315) 2.753 2.655 ( 6.608 0.000 6.753) 9.448 2.682 ( -1.460 0.000 -9.496) 9.608 2.735 ( -1.917 0.000 -4.844) 5.210 2.874 ( -0.502 0.000 -2.387) 2.439 3.018 ( 4.734 0.000 -2.417) 5.315 3.088 ( -10.727 0.000 3.040) 11.149 3.670 ( 4.404 0.000 8.327) 9.420 3.821 ( 14.961 0.000 2.833) 15.227 3.993 ( -6.157 0.000 9.497) 11.318 4.057 ( -3.900 0.000 2.748) 4.771 4.269 ( -5.400 0.000 -2.381) 5.902 4.320 ( -1.674 0.000 2.258) 2.811 4.380 ( -2.692 0.000 -7.122) 7.614 4.518 ( 1.337 0.000 -8.253) 8.361 4.776 ( 3.560 0.000 3.065) 4.697 4.907 ( -4.578 0.000 1.175) 4.727 5.058 ( -3.898 0.000 4.301) 5.805 5.155 ( 0.524 0.000 -5.751) 5.775 5.441 ( 3.990 0.000 6.050) 7.248 5.595 ( 0.036 0.000 0.635) 0.636 5.726 ( -0.347 0.000 5.030) 5.042 5.853 ( 1.985 0.000 1.074) 2.257 6.048 ( -5.137 0.000 -2.738) 5.821 6.086 ( 4.539 0.000 -8.225) 9.395 6.396 ( 4.439 0.000 -1.323) 4.632 6.495 ( -5.414 0.000 -3.576) 6.489 6.635 ( -1.683 0.000 2.998) 3.438 6.855 ( 5.089 0.000 -13.616) 14.536 8.498 ( 1.837 0.000 -0.901) 2.046 8.531 ( -1.279 0.000 -1.678) 2.110 8.815 ( -2.344 0.000 5.272) 5.770 8.868 ( 5.213 0.000 -0.581) 5.245 10.059 ( 4.076 0.000 10.827) 11.569 10.315 ( 2.755 0.000 -3.056) 4.114 10.424 ( -8.543 0.000 12.781) 15.374 10.658 ( 2.355 0.000 4.843) 5.385 10.763 ( -1.014 0.000 -3.639) 3.778 10.999 ( 4.562 0.000 -9.920) 10.919 11.357 ( 1.605 0.000 7.088) 7.268 11.689 ( -1.242 0.000 -7.597) 7.698 19.383 ( 2.162 0.000 0.779) 2.298 19.509 ( -3.823 0.000 -2.386) 4.507 19.873 ( -3.291 0.000 4.537) 5.605 19.957 ( 4.670 0.000 -4.152) 6.249 20.322 ( 6.032 0.000 5.748) 8.332 20.615 ( -10.546 0.000 -1.908) 10.718 20.869 ( 4.385 0.000 10.037) 10.953 21.300 ( -9.172 0.000 -6.326) 11.142 21.857 ( -3.267 0.000 5.800) 6.657 22.032 ( 0.786 0.000 -5.956) 6.008 22.340 ( 0.802 0.000 -0.168) 0.820 22.433 ( 0.209 0.000 -4.152) 4.157 ======================= Grid point 194 (98/128) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -12.840 0.000 7.227) 14.734 1.143 ( -12.562 0.000 2.850) 12.881 1.445 ( 4.400 0.000 -6.456) 7.813 1.548 ( 10.777 0.000 -6.158) 12.413 2.179 ( -8.807 0.000 0.880) 8.851 2.230 ( -3.609 0.000 -1.860) 4.060 2.444 ( 2.803 0.000 1.606) 3.230 2.454 ( 2.038 0.000 -2.339) 3.102 2.611 ( -0.395 0.000 0.975) 1.052 2.613 ( -2.965 0.000 -2.766) 4.055 2.815 ( 2.395 0.000 3.809) 4.499 2.828 ( -4.458 0.000 -3.188) 5.481 3.006 ( 1.728 0.000 -1.035) 2.014 3.120 ( 9.966 0.000 -0.367) 9.973 3.779 ( -8.399 0.000 5.449) 10.012 3.898 ( -3.795 0.000 -12.566) 13.127 4.024 ( -3.146 0.000 8.151) 8.737 4.034 ( -0.097 0.000 5.640) 5.640 4.211 ( 5.798 0.000 7.114) 9.177 4.317 ( 7.389 0.000 -8.815) 11.502 4.371 ( 0.270 0.000 4.438) 4.446 4.428 ( -0.003 0.000 -7.445) 7.445 4.836 ( -5.082 0.000 -1.133) 5.207 4.899 ( 4.432 0.000 3.679) 5.760 5.055 ( -1.527 0.000 4.094) 4.369 5.134 ( 3.132 0.000 -3.546) 4.732 5.551 ( -2.907 0.000 -3.636) 4.655 5.564 ( 2.234 0.000 3.633) 4.265 5.781 ( -1.344 0.000 7.332) 7.455 5.853 ( -0.559 0.000 -4.882) 4.914 5.948 ( -5.096 0.000 3.249) 6.044 6.064 ( 3.527 0.000 -5.531) 6.560 6.384 ( -4.835 0.000 -0.528) 4.864 6.463 ( 4.864 0.000 -0.325) 4.875 6.654 ( -2.271 0.000 5.663) 6.101 6.780 ( 3.684 0.000 -11.389) 11.970 8.489 ( -2.551 0.000 -0.096) 2.552 8.512 ( 0.167 0.000 0.281) 0.327 8.822 ( -3.587 0.000 3.683) 5.141 8.908 ( 2.733 0.000 -3.492) 4.435 10.220 ( -0.048 0.000 6.279) 6.279 10.250 ( -2.625 0.000 -7.360) 7.814 10.470 ( -2.938 0.000 14.488) 14.783 10.680 ( 7.191 0.000 -11.696) 13.730 10.785 ( -2.880 0.000 10.533) 10.920 10.937 ( 3.538 0.000 -11.802) 12.321 11.497 ( 1.751 0.000 10.094) 10.245 11.548 ( -2.925 0.000 -10.439) 10.841 19.409 ( -4.490 0.000 -1.569) 4.756 19.449 ( 2.590 0.000 3.251) 4.156 19.870 ( -3.132 0.000 3.974) 5.060 19.987 ( 5.514 0.000 -5.810) 8.010 20.426 ( -8.141 0.000 -3.610) 8.905 20.520 ( 8.399 0.000 6.644) 10.709 21.065 ( -7.877 0.000 -8.407) 11.521 21.100 ( 7.465 0.000 12.975) 14.969 21.883 ( -2.527 0.000 7.140) 7.574 21.993 ( 3.215 0.000 -6.650) 7.387 22.363 ( 0.247 0.000 2.259) 2.272 22.382 ( -0.695 0.000 -3.764) 3.827 ======================= Grid point 195 (99/128) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -13.527 0.000 13.934) 19.420 1.127 ( -6.841 0.000 26.367) 27.240 1.588 ( 11.399 0.000 6.844) 13.296 1.608 ( -5.129 0.000 3.429) 6.170 2.056 ( -3.626 0.000 1.989) 4.135 2.070 ( -9.732 0.000 -5.358) 11.109 2.494 ( 3.532 0.000 0.924) 3.651 2.495 ( 0.388 0.000 1.425) 1.477 2.595 ( -3.436 0.000 -1.170) 3.629 2.621 ( 1.088 0.000 6.217) 6.312 2.728 ( -1.903 0.000 -0.648) 2.010 2.883 ( 2.849 0.000 3.383) 4.423 3.034 ( 4.702 0.000 -6.902) 8.351 3.287 ( 9.327 0.000 -1.400) 9.432 3.571 ( -16.010 0.000 -0.069) 16.010 3.676 ( -3.956 0.000 -8.006) 8.930 4.060 ( -1.534 0.000 3.136) 3.491 4.097 ( 1.803 0.000 0.162) 1.810 4.314 ( -0.344 0.000 -6.043) 6.053 4.411 ( 1.678 0.000 6.745) 6.951 4.436 ( 6.189 0.000 -3.888) 7.309 4.441 ( 4.751 0.000 5.658) 7.388 4.745 ( -0.772 0.000 -0.191) 0.795 4.979 ( 3.108 0.000 -0.126) 3.111 5.121 ( 2.920 0.000 4.810) 5.627 5.158 ( 3.855 0.000 -2.745) 4.732 5.446 ( -2.082 0.000 -5.821) 6.182 5.571 ( -3.545 0.000 0.506) 3.581 5.755 ( -2.680 0.000 -5.292) 5.932 5.817 ( -1.052 0.000 0.289) 1.091 5.929 ( -6.202 0.000 6.981) 9.337 6.108 ( 3.703 0.000 1.245) 3.907 6.318 ( -3.626 0.000 1.037) 3.771 6.552 ( 4.595 0.000 2.018) 5.019 6.693 ( -2.871 0.000 8.171) 8.661 6.722 ( 3.090 0.000 -6.999) 7.651 8.448 ( -2.940 0.000 1.048) 3.121 8.505 ( -2.727 0.000 1.953) 3.355 8.782 ( -4.003 0.000 0.731) 4.069 8.897 ( 2.413 0.000 -4.286) 4.919 10.105 ( -1.529 0.000 -9.869) 9.987 10.195 ( -7.889 0.000 3.609) 8.675 10.618 ( 1.607 0.000 6.353) 6.553 10.666 ( 7.285 0.000 -11.761) 13.835 10.845 ( 1.431 0.000 -10.892) 10.986 10.846 ( -3.787 0.000 8.762) 9.545 11.379 ( -3.132 0.000 -6.446) 7.167 11.630 ( 0.519 0.000 9.058) 9.073 19.339 ( -3.146 0.000 0.489) 3.184 19.520 ( 0.443 0.000 3.031) 3.063 19.871 ( -1.623 0.000 3.605) 3.953 19.997 ( 5.035 0.000 -7.303) 8.870 20.278 ( -4.148 0.000 -3.566) 5.470 20.739 ( 8.610 0.000 6.383) 10.718 20.861 ( -5.458 0.000 -7.232) 9.060 21.396 ( 10.779 0.000 8.898) 13.977 21.965 ( 1.414 0.000 10.316) 10.412 21.980 ( 4.615 0.000 -6.596) 8.050 22.326 ( -1.817 0.000 -1.906) 2.633 22.393 ( -0.638 0.000 3.196) 3.259 ======================= Grid point 196 (100/128) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -8.733 0.000 17.671) 19.711 1.261 ( -18.223 0.000 14.131) 23.060 1.582 ( -6.019 0.000 27.633) 28.281 1.775 ( -6.388 0.000 -6.367) 9.019 1.967 ( 8.166 0.000 12.855) 15.230 2.136 ( 6.146 0.000 2.668) 6.700 2.397 ( -4.708 0.000 -9.312) 10.434 2.493 ( -2.198 0.000 1.740) 2.804 2.683 ( 7.925 0.000 4.081) 8.914 2.703 ( -2.386 0.000 0.446) 2.427 2.727 ( 2.044 0.000 5.036) 5.435 3.010 ( 2.379 0.000 -4.111) 4.749 3.029 ( 4.772 0.000 10.751) 11.762 3.250 ( -13.396 0.000 -1.445) 13.473 3.411 ( 2.500 0.000 -5.177) 5.749 3.603 ( 0.432 0.000 -1.797) 1.848 4.021 ( -3.120 0.000 -3.994) 5.068 4.109 ( -0.068 0.000 -3.544) 3.544 4.256 ( 2.687 0.000 -3.468) 4.387 4.362 ( -3.179 0.000 -6.918) 7.613 4.438 ( -4.225 0.000 3.819) 5.696 4.577 ( 2.669 0.000 2.682) 3.784 4.861 ( 8.284 0.000 2.941) 8.790 5.027 ( 1.867 0.000 1.794) 2.589 5.203 ( 5.811 0.000 -2.535) 6.340 5.248 ( 4.210 0.000 5.969) 7.304 5.374 ( 1.354 0.000 -4.604) 4.799 5.495 ( -5.013 0.000 0.302) 5.022 5.655 ( -2.879 0.000 -3.920) 4.864 5.781 ( 0.162 0.000 -3.590) 3.594 5.888 ( -8.629 0.000 6.907) 11.052 6.107 ( -4.626 0.000 -2.217) 5.130 6.292 ( -1.813 0.000 2.609) 3.178 6.635 ( 1.989 0.000 0.761) 2.130 6.742 ( 6.298 0.000 -2.912) 6.938 6.745 ( -3.309 0.000 9.020) 9.608 8.417 ( -2.703 0.000 1.414) 3.050 8.469 ( -5.325 0.000 3.692) 6.480 8.727 ( -1.856 0.000 -1.049) 2.132 8.923 ( 6.825 0.000 -3.852) 7.837 9.987 ( 1.204 0.000 -9.528) 9.603 10.082 ( -9.510 0.000 2.343) 9.794 10.597 ( -2.309 0.000 -8.157) 8.477 10.636 ( 6.035 0.000 -12.061) 13.486 10.721 ( -5.252 0.000 -2.246) 5.712 10.861 ( -5.221 0.000 6.529) 8.360 11.383 ( 4.331 0.000 4.695) 6.388 11.721 ( -0.667 0.000 6.562) 6.596 19.314 ( -1.990 0.000 2.296) 3.039 19.517 ( -2.021 0.000 -0.613) 2.112 19.901 ( -1.029 0.000 4.197) 4.322 19.986 ( 4.191 0.000 -7.333) 8.446 20.221 ( 0.637 0.000 -1.087) 1.260 20.711 ( -3.516 0.000 -6.159) 7.092 20.950 ( 7.817 0.000 6.421) 10.116 21.576 ( 5.157 0.000 -1.300) 5.318 21.992 ( 6.140 0.000 -6.377) 8.853 22.140 ( 3.379 0.000 2.557) 4.238 22.323 ( 3.048 0.000 5.573) 6.352 22.413 ( -1.638 0.000 3.453) 3.822 ======================= Grid point 197 (101/128) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -22.674 0.000 14.172) 26.739 1.139 ( -1.035 0.000 14.055) 14.093 1.559 ( -5.441 0.000 -7.530) 9.290 1.933 ( 2.975 0.000 26.449) 26.615 2.113 ( -1.724 0.000 -12.648) 12.765 2.266 ( 2.657 0.000 14.488) 14.730 2.364 ( 2.606 0.000 8.115) 8.523 2.503 ( 2.735 0.000 1.675) 3.207 2.631 ( 0.370 0.000 -5.794) 5.806 2.774 ( -0.433 0.000 -0.128) 0.451 2.876 ( 5.564 0.000 5.582) 7.881 3.027 ( -10.462 0.000 0.044) 10.462 3.041 ( 1.731 0.000 2.710) 3.216 3.235 ( 2.429 0.000 7.516) 7.899 3.392 ( 2.559 0.000 -0.342) 2.581 3.597 ( -0.359 0.000 -0.405) 0.542 3.881 ( -4.243 0.000 -6.983) 8.171 3.979 ( -6.058 0.000 -7.383) 9.550 4.218 ( -1.619 0.000 -5.029) 5.283 4.377 ( -3.421 0.000 -2.040) 3.983 4.386 ( 10.125 0.000 -0.449) 10.135 4.593 ( -3.919 0.000 2.062) 4.428 5.004 ( 6.920 0.000 -0.410) 6.932 5.061 ( -1.506 0.000 2.895) 3.264 5.269 ( 2.414 0.000 0.136) 2.417 5.353 ( 0.885 0.000 2.898) 3.030 5.413 ( 5.317 0.000 2.173) 5.744 5.468 ( 3.059 0.000 -0.693) 3.136 5.567 ( -1.666 0.000 -4.352) 4.660 5.753 ( 1.277 0.000 -3.732) 3.944 5.818 ( -8.785 0.000 6.651) 11.018 5.938 ( -10.312 0.000 -2.344) 10.575 6.326 ( 0.570 0.000 4.768) 4.802 6.620 ( -1.537 0.000 -3.253) 3.598 6.784 ( -4.034 0.000 7.694) 8.687 6.828 ( 8.585 0.000 -4.499) 9.692 8.396 ( -1.537 0.000 1.363) 2.054 8.428 ( -4.662 0.000 3.719) 5.964 8.709 ( -0.251 0.000 1.247) 1.272 8.989 ( 7.919 0.000 -8.733) 11.789 9.924 ( 3.469 0.000 -7.749) 8.490 9.951 ( -8.807 0.000 1.711) 8.972 10.437 ( -9.048 0.000 1.049) 9.108 10.588 ( 5.201 0.000 -11.739) 12.840 10.687 ( 3.467 0.000 -1.343) 3.718 10.826 ( -6.682 0.000 4.237) 7.913 11.547 ( 5.853 0.000 6.205) 8.529 11.758 ( -2.156 0.000 3.595) 4.192 19.321 ( -1.284 0.000 3.360) 3.597 19.468 ( -0.675 0.000 -3.079) 3.152 19.918 ( -2.297 0.000 3.298) 4.020 19.971 ( 3.561 0.000 -5.858) 6.856 20.262 ( 2.929 0.000 2.293) 3.720 20.590 ( -2.636 0.000 -6.244) 6.777 21.146 ( 6.187 0.000 7.148) 9.454 21.572 ( -0.334 0.000 -5.175) 5.186 22.034 ( 7.701 0.000 -6.075) 9.809 22.095 ( -7.903 0.000 2.033) 8.161 22.421 ( -2.335 0.000 3.666) 4.346 22.475 ( 6.771 0.000 -1.057) 6.853 ======================= Grid point 198 (102/128) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -8.518 8.893 15.134) 19.511 1.353 ( 9.451 7.073 -13.942) 18.268 1.684 ( 1.259 15.954 14.513) 21.604 1.979 ( -2.137 8.788 -12.422) 15.365 2.301 ( -1.721 -4.639 10.883) 11.955 2.341 ( 1.961 1.756 15.084) 15.312 2.491 ( 0.062 -2.359 -4.741) 5.296 2.538 ( 0.248 2.662 -2.474) 3.643 2.665 ( 0.460 -1.583 4.726) 5.006 2.741 ( 3.389 6.055 -2.115) 7.254 2.945 ( -0.583 0.732 4.049) 4.156 2.984 ( 1.257 3.561 1.169) 3.953 3.179 ( -3.640 4.450 3.747) 6.863 3.285 ( 2.002 6.108 -2.762) 6.996 3.545 ( -0.194 2.520 3.913) 4.659 3.612 ( 2.433 2.586 -0.545) 3.593 3.750 ( -0.474 -2.489 -1.783) 3.098 3.784 ( -3.749 -0.723 -5.542) 6.730 4.156 ( -0.807 -2.117 2.844) 3.636 4.310 ( -0.378 -0.214 -8.452) 8.463 4.469 ( -7.594 -2.211 3.800) 8.774 4.546 ( 9.374 -1.803 -3.472) 10.157 4.909 ( 0.475 -12.348 1.741) 12.479 4.945 ( -0.594 -10.491 -1.656) 10.637 5.275 ( 1.594 -3.406 3.190) 4.932 5.318 ( -2.772 -4.232 0.293) 5.067 5.347 ( -1.411 -5.797 -0.306) 5.975 5.367 ( 1.024 -6.501 -0.542) 6.603 5.704 ( -4.395 -5.525 3.650) 7.948 5.724 ( 3.076 -1.527 1.283) 3.667 5.835 ( 1.981 7.725 -0.209) 7.978 5.877 ( 2.183 9.779 -3.180) 10.513 6.489 ( 1.016 5.924 4.046) 7.246 6.585 ( -1.940 4.309 -4.551) 6.561 6.794 ( -3.588 0.984 4.237) 5.639 6.899 ( 7.770 -0.745 -5.943) 9.811 8.425 ( 1.725 2.227 1.712) 3.296 8.443 ( -2.591 2.779 0.563) 3.841 8.770 ( -1.348 2.470 6.279) 6.880 8.964 ( 2.749 1.499 -11.653) 12.067 9.855 ( -6.838 1.218 3.290) 7.685 9.948 ( 6.034 2.468 -5.682) 8.648 10.307 ( -8.066 -3.903 8.157) 12.117 10.489 ( 4.681 -4.458 -9.169) 11.218 10.727 ( -6.752 -2.117 1.942) 7.338 10.765 ( 8.390 -2.137 -2.156) 8.922 11.729 ( 3.420 3.458 4.124) 6.377 11.769 ( -3.745 3.374 0.376) 5.054 19.379 ( -0.477 2.837 3.060) 4.200 19.450 ( 0.917 1.970 -3.790) 4.369 19.917 ( -2.999 0.810 2.190) 3.801 19.972 ( 3.593 0.367 -3.546) 5.062 20.378 ( 2.592 2.354 4.130) 5.414 20.490 ( -2.690 1.872 -6.334) 7.132 21.307 ( 3.738 -1.191 7.442) 8.413 21.424 ( -8.077 -3.165 -3.749) 9.450 21.831 ( -8.400 -11.112 6.260) 15.272 21.956 ( 7.577 -11.162 -5.476) 14.560 22.510 ( 1.331 6.516 4.626) 8.101 22.615 ( -0.205 6.598 -5.602) 8.658 ======================= Grid point 199 (103/128) ======================= q-point: ( 0.11 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 2.802 5.585 12.082) 13.603 1.396 ( 16.349 5.961 -14.114) 22.406 1.818 ( 2.309 10.549 -11.810) 16.003 1.921 ( 5.182 14.489 12.718) 19.963 2.341 ( -4.823 -7.880 0.292) 9.244 2.405 ( -1.001 -1.375 -8.266) 8.439 2.451 ( -1.800 -0.339 2.025) 2.731 2.509 ( 0.712 5.848 4.287) 7.286 2.681 ( -2.119 4.923 -4.546) 7.027 2.723 ( 0.575 1.235 -4.081) 4.302 2.962 ( 0.392 -0.577 0.595) 0.917 3.027 ( 3.057 4.272 -2.261) 5.719 3.200 ( -2.343 0.338 6.008) 6.458 3.270 ( 2.171 8.981 -4.745) 10.387 3.472 ( -7.122 2.185 -0.416) 7.461 3.660 ( 2.933 3.507 -3.385) 5.688 3.737 ( 1.416 -0.362 3.867) 4.134 3.823 ( 4.930 -3.692 4.459) 7.604 4.208 ( -1.032 -3.352 -5.851) 6.822 4.244 ( 1.637 -0.852 9.772) 9.945 4.370 ( -6.005 1.505 1.106) 6.289 4.640 ( 5.757 -3.539 -5.051) 8.437 4.884 ( -3.062 -8.279 -0.391) 8.835 4.953 ( 0.993 -13.060 0.792) 13.122 5.203 ( -7.672 -4.081 0.833) 8.730 5.283 ( -3.569 -4.055 0.243) 5.408 5.365 ( 0.477 -7.674 -2.971) 8.243 5.405 ( 3.980 -2.970 3.497) 6.074 5.662 ( -3.570 -0.266 1.640) 3.937 5.757 ( 1.072 -2.284 -2.074) 3.266 5.874 ( 4.069 7.932 0.666) 8.940 5.946 ( 8.934 2.830 -4.599) 10.439 6.490 ( -2.017 3.571 -1.982) 4.555 6.594 ( 3.034 5.281 3.593) 7.071 6.755 ( -4.186 1.348 1.080) 4.528 6.955 ( 8.088 -0.349 -7.806) 11.246 8.413 ( -0.498 0.859 -0.367) 1.058 8.501 ( 4.412 2.823 1.549) 5.463 8.821 ( -3.460 2.131 8.003) 8.975 8.852 ( -0.289 3.078 -9.386) 9.882 9.809 ( -4.714 1.513 5.158) 7.150 10.012 ( 8.115 1.886 -3.424) 9.007 10.303 ( -6.690 -3.714 11.314) 13.659 10.477 ( 4.498 -4.018 -5.860) 8.409 10.640 ( -4.414 -2.121 0.813) 4.964 10.881 ( 8.634 -2.739 -3.370) 9.665 11.682 ( -5.482 4.282 -1.971) 7.230 11.806 ( 1.574 2.682 1.937) 3.664 19.370 ( -1.960 -0.025 -0.236) 1.974 19.465 ( 3.002 3.302 -0.236) 4.468 19.893 ( -2.743 0.592 2.063) 3.483 19.993 ( 3.236 0.966 -2.863) 4.427 20.342 ( -5.596 0.429 -3.127) 6.425 20.500 ( 3.839 3.173 3.692) 6.200 21.218 ( -12.833 -3.134 -0.331) 13.214 21.435 ( 1.189 -1.205 6.639) 6.851 21.780 ( -5.603 -8.666 4.718) 11.347 22.032 ( 7.906 -11.409 -3.935) 14.427 22.481 ( -5.255 6.443 -2.305) 8.627 22.617 ( 2.700 6.387 0.464) 6.950 ======================= Grid point 200 (104/128) ======================= q-point: ( 0.22 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 6.838 4.251 1.750) 8.240 1.539 ( 17.747 4.053 -11.832) 21.712 1.796 ( 9.391 8.319 -6.255) 14.019 2.083 ( -2.093 0.546 -6.173) 6.541 2.179 ( -2.828 9.265 -0.616) 9.706 2.260 ( -0.606 1.126 -12.572) 12.637 2.491 ( -3.686 -2.686 7.365) 8.663 2.518 ( -4.749 9.690 -8.645) 13.827 2.554 ( -0.441 5.714 3.443) 6.686 2.701 ( 3.913 -6.273 -4.666) 8.743 2.884 ( -0.647 -0.935 -10.201) 10.264 3.112 ( 1.758 0.316 4.153) 4.521 3.188 ( -3.556 -2.002 -4.093) 5.779 3.209 ( -0.649 8.233 -2.911) 8.756 3.368 ( -3.534 3.450 -0.688) 4.986 3.671 ( 1.601 6.080 1.084) 6.380 3.868 ( 5.104 -1.681 6.442) 8.389 3.959 ( 0.687 -2.772 7.126) 7.677 4.177 ( 0.797 -1.915 2.418) 3.186 4.314 ( -0.647 2.583 0.267) 2.676 4.406 ( 4.197 -0.299 7.380) 8.495 4.601 ( -2.303 -5.329 -5.109) 7.734 4.816 ( -4.632 -6.071 -0.741) 7.672 4.977 ( -0.052 -10.447 0.850) 10.482 5.093 ( -7.998 -4.799 2.591) 9.680 5.220 ( -2.605 -2.729 -0.798) 3.856 5.318 ( 0.211 -6.511 -5.750) 8.689 5.515 ( 3.343 -3.674 4.377) 6.621 5.633 ( -0.942 2.954 0.086) 3.101 5.758 ( 2.924 -5.090 -2.804) 6.505 5.936 ( 2.349 1.979 -0.324) 3.089 6.035 ( 9.158 0.946 -6.132) 11.061 6.449 ( -0.680 3.427 -1.007) 3.636 6.651 ( -3.044 -1.186 2.877) 4.353 6.719 ( 1.216 6.379 -0.891) 6.554 6.974 ( 6.699 0.882 -9.755) 11.867 8.419 ( 1.604 -0.573 -0.296) 1.729 8.593 ( 5.322 2.405 -0.850) 5.902 8.756 ( -1.187 3.835 -3.100) 5.072 8.840 ( -4.162 2.829 5.834) 7.705 9.822 ( -2.523 1.274 7.326) 7.852 10.126 ( 8.918 0.582 -1.982) 9.154 10.338 ( -6.318 -3.647 12.538) 14.506 10.494 ( 1.589 -0.836 0.684) 1.921 10.635 ( 2.915 -4.592 0.647) 5.477 10.956 ( 6.418 -3.190 -5.331) 8.933 11.552 ( -5.916 6.134 -3.371) 9.164 11.827 ( 0.015 2.298 -0.560) 2.365 19.337 ( -0.467 -1.912 -1.536) 2.497 19.515 ( 1.775 1.660 1.319) 2.765 19.881 ( -1.638 1.066 2.327) 3.039 20.001 ( 1.673 1.106 -3.418) 3.963 20.228 ( -4.743 0.388 -0.200) 4.764 20.613 ( 3.061 2.333 5.430) 6.655 21.009 ( -12.607 -1.195 0.943) 12.699 21.496 ( -1.790 -1.483 4.290) 4.879 21.755 ( -3.474 -7.357 3.839) 8.996 22.113 ( 6.379 -12.492 -2.981) 14.340 22.344 ( -6.216 6.989 -4.026) 10.183 22.645 ( 0.085 6.964 -0.394) 6.976 ======================= Grid point 201 (105/128) ======================= q-point: ( 0.33 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 7.386 6.712 -8.702) 13.241 1.614 ( 5.894 3.074 -12.857) 14.474 1.819 ( -4.878 3.262 -19.242) 20.117 1.939 ( 3.944 5.802 -2.172) 7.344 2.027 ( 0.496 4.876 -8.346) 9.678 2.190 ( 2.883 3.654 -6.099) 7.672 2.451 ( -6.455 -4.163 2.556) 8.095 2.480 ( 2.408 5.574 -0.004) 6.072 2.593 ( -2.116 6.334 7.357) 9.936 2.737 ( 5.139 -1.746 -4.259) 6.899 2.767 ( 1.211 -3.703 -10.626) 11.318 2.998 ( -4.962 -1.174 -9.736) 10.990 3.058 ( -3.129 3.684 -2.162) 5.295 3.264 ( -5.658 5.185 5.936) 9.702 3.386 ( 7.499 -4.217 2.626) 8.995 3.751 ( 4.792 9.735 3.808) 11.499 3.974 ( -2.942 -1.743 6.035) 6.937 4.017 ( 0.627 -2.035 4.191) 4.701 4.258 ( 2.039 2.103 4.458) 5.334 4.331 ( -1.407 -0.902 1.755) 2.424 4.492 ( -2.221 -2.631 -2.302) 4.142 4.538 ( 3.109 -0.677 1.445) 3.495 4.713 ( -4.341 -5.147 -2.781) 7.285 4.939 ( -4.380 -6.302 -0.621) 7.700 5.016 ( -5.928 -5.535 4.854) 9.452 5.217 ( 1.844 -7.263 -0.657) 7.522 5.247 ( 0.286 -0.633 -4.168) 4.225 5.607 ( 0.172 -2.286 4.891) 5.401 5.630 ( 1.470 -1.284 -1.088) 2.234 5.783 ( 4.150 -9.313 -3.462) 10.768 5.947 ( -0.094 1.047 -0.145) 1.061 6.096 ( 7.218 0.337 -6.874) 9.973 6.439 ( -0.444 3.258 0.632) 3.348 6.616 ( -2.903 -1.859 1.693) 3.840 6.706 ( -0.232 6.196 -4.409) 7.608 6.946 ( 4.533 2.095 -11.171) 12.237 8.451 ( 2.065 -0.814 0.228) 2.232 8.610 ( 1.011 2.549 -4.251) 5.059 8.773 ( 1.433 1.428 3.641) 4.166 8.843 ( -0.588 3.803 2.652) 4.673 9.903 ( 0.401 0.778 9.623) 9.663 10.237 ( 5.920 -1.249 -0.983) 6.130 10.381 ( -5.635 -2.621 11.818) 13.352 10.561 ( 1.592 0.943 5.882) 6.166 10.713 ( 4.343 -5.967 -0.089) 7.381 10.964 ( 3.564 -3.968 -7.213) 8.971 11.439 ( -2.995 7.962 -1.593) 8.654 11.794 ( -1.102 1.932 -3.465) 4.118 19.325 ( 1.044 -2.664 -1.049) 3.047 19.530 ( -1.807 -2.389 0.220) 3.003 19.896 ( 0.162 2.535 1.910) 3.179 19.965 ( -0.504 0.752 -2.732) 2.878 20.214 ( 0.425 0.760 4.153) 4.243 20.710 ( -2.016 -2.432 5.946) 6.733 20.846 ( -5.801 5.250 1.169) 7.911 21.464 ( -5.457 -0.949 -0.064) 5.539 21.755 ( -2.235 -6.579 4.015) 8.025 22.104 ( -0.883 -11.567 -9.321) 14.881 22.263 ( 0.965 6.882 1.702) 7.155 22.609 ( -1.677 6.697 -3.019) 7.535 ======================= Grid point 202 (106/128) ======================= q-point: ( 0.44 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -7.084 5.058 -7.022) 11.184 1.511 ( -1.746 9.898 -19.501) 21.938 1.564 ( 6.754 6.984 -8.143) 12.677 1.709 ( -9.548 11.970 -8.247) 17.391 2.181 ( 9.179 -2.701 0.237) 9.571 2.247 ( 5.458 1.664 -2.145) 6.096 2.371 ( -2.484 -5.604 -0.162) 6.132 2.453 ( -5.073 2.064 -0.336) 5.487 2.630 ( -2.378 -4.945 -7.718) 9.470 2.696 ( 3.429 0.154 3.531) 4.925 2.706 ( 1.551 2.379 -7.034) 7.586 2.878 ( -4.776 0.011 -0.319) 4.787 3.064 ( 6.979 4.562 -0.817) 8.377 3.185 ( -8.662 7.036 2.528) 11.443 3.589 ( 8.631 -4.695 7.188) 12.174 3.891 ( 5.319 2.302 -0.444) 5.812 3.991 ( -4.272 0.246 8.155) 9.209 4.031 ( -1.215 -1.222 2.192) 2.788 4.249 ( -6.126 -1.560 0.089) 6.322 4.338 ( 0.922 3.976 4.176) 5.839 4.426 ( -3.467 2.752 -5.089) 6.744 4.530 ( 1.177 0.881 -6.289) 6.458 4.714 ( 3.832 -5.978 3.776) 8.042 4.861 ( -4.584 -5.184 0.837) 6.971 5.001 ( -3.570 -4.743 4.988) 7.754 5.154 ( 1.565 -1.521 -8.156) 8.443 5.333 ( 3.531 -7.020 6.202) 10.011 5.582 ( -2.292 -5.131 -3.589) 6.668 5.680 ( -0.334 -4.177 4.418) 6.089 5.797 ( 2.720 -10.970 -4.059) 12.009 5.948 ( -1.497 3.481 2.908) 4.777 6.105 ( 4.007 0.496 -7.631) 8.634 6.454 ( 0.529 3.972 2.037) 4.495 6.584 ( -3.110 1.924 -1.224) 3.856 6.648 ( 0.271 3.890 -1.541) 4.193 6.866 ( 2.927 1.528 -12.316) 12.751 8.486 ( 0.881 -0.086 1.292) 1.566 8.570 ( -0.391 2.464 -3.062) 3.950 8.823 ( -1.811 0.874 5.105) 5.487 8.889 ( 3.898 1.873 -1.081) 4.458 10.055 ( 3.527 -0.334 10.152) 10.753 10.276 ( -0.849 -3.450 0.165) 3.556 10.431 ( -3.615 0.345 9.315) 9.998 10.661 ( 2.733 0.418 3.587) 4.529 10.726 ( -0.702 -3.636 -2.256) 4.336 10.932 ( 3.928 -4.778 -7.860) 10.001 11.441 ( 1.068 6.628 4.307) 7.977 11.710 ( -1.995 1.668 -6.571) 7.067 19.351 ( 2.549 -2.739 0.542) 3.781 19.462 ( -4.792 -4.058 -1.325) 6.418 19.901 ( -2.754 2.012 2.771) 4.394 19.964 ( 4.047 0.807 -3.113) 5.169 20.326 ( 4.642 0.522 7.012) 8.426 20.607 ( -9.261 -1.292 -0.802) 9.385 20.929 ( 4.561 5.853 8.236) 11.086 21.315 ( -8.182 1.318 -5.403) 9.893 21.771 ( -2.064 -6.451 4.810) 8.307 21.973 ( -0.001 -7.422 -9.092) 11.737 22.339 ( 3.276 3.656 3.377) 5.958 22.529 ( -2.260 5.490 -4.772) 7.617 ======================= Grid point 203 (107/128) ======================= q-point: (-0.44 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -11.138 8.624 8.747) 16.581 1.298 ( -7.311 12.679 -1.839) 14.751 1.523 ( -0.522 8.037 -6.076) 10.089 1.671 ( 11.383 10.818 -3.639) 16.119 2.196 ( -6.216 -3.943 -0.991) 7.427 2.225 ( -6.965 3.713 -0.109) 7.894 2.391 ( 1.905 -5.795 -3.165) 6.872 2.411 ( 4.314 -1.878 2.811) 5.481 2.565 ( -1.275 -2.034 2.167) 3.234 2.603 ( -2.012 -1.752 -4.234) 5.004 2.799 ( -0.456 1.015 -2.429) 2.672 2.870 ( 8.493 0.445 0.718) 8.535 3.042 ( -8.933 6.594 1.587) 11.216 3.218 ( 9.405 5.759 -0.324) 11.033 3.722 ( -9.339 -4.840 -0.480) 10.529 3.838 ( 4.054 -4.851 -1.168) 6.429 4.007 ( -4.793 0.508 3.432) 5.917 4.074 ( -0.635 1.525 2.210) 2.760 4.243 ( 1.875 2.935 6.563) 7.430 4.355 ( 6.879 3.328 -5.662) 9.511 4.400 ( -0.027 2.737 4.589) 5.343 4.459 ( -0.230 2.507 -6.443) 6.918 4.783 ( -5.098 -5.396 -1.357) 7.547 4.846 ( 4.539 -5.390 3.853) 8.031 5.016 ( -1.056 -4.028 4.912) 6.439 5.109 ( 3.247 -2.365 -6.005) 7.225 5.461 ( -1.340 -9.092 -0.379) 9.198 5.470 ( 0.138 -7.965 0.822) 8.008 5.703 ( -3.155 -5.632 4.436) 7.833 5.779 ( 0.832 -7.369 -4.342) 8.593 5.958 ( -3.644 3.077 5.533) 7.305 6.056 ( 1.035 1.049 -6.856) 7.013 6.482 ( -1.664 4.928 1.160) 5.329 6.540 ( 3.406 4.896 -1.376) 6.121 6.679 ( -0.082 3.569 5.076) 6.206 6.769 ( 2.096 -0.434 -10.833) 11.043 8.501 ( -2.030 1.209 1.788) 2.963 8.535 ( 0.198 1.897 -1.633) 2.510 8.833 ( -3.372 1.158 3.908) 5.290 8.917 ( 2.550 0.752 -3.469) 4.370 10.191 ( -2.467 -2.295 3.118) 4.590 10.235 ( 0.821 -1.766 -1.888) 2.713 10.479 ( -3.667 0.715 11.024) 11.640 10.657 ( 4.884 -2.662 -9.981) 11.426 10.757 ( -2.352 -1.774 8.158) 8.674 10.898 ( 4.192 -3.210 -9.830) 11.158 11.539 ( -0.122 3.639 6.259) 7.242 11.586 ( -1.136 3.168 -6.158) 7.017 19.370 ( -3.978 -3.098 -1.061) 5.153 19.420 ( 3.461 -2.564 2.448) 4.954 19.890 ( -2.877 1.350 3.388) 4.645 19.990 ( 4.402 0.162 -4.957) 6.632 20.437 ( -6.699 0.829 -1.860) 7.002 20.522 ( 7.311 0.387 5.577) 9.203 21.099 ( -7.611 3.330 -7.244) 11.022 21.140 ( 6.753 3.575 11.090) 13.467 21.800 ( -2.356 -6.870 6.487) 9.738 21.900 ( 2.278 -7.716 -6.948) 10.630 22.417 ( -1.745 4.392 -1.000) 4.830 22.450 ( 2.705 5.147 -0.449) 5.832 ======================= Grid point 204 (108/128) ======================= q-point: (-0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -8.140 11.347 13.911) 19.711 1.234 ( -8.620 12.692 19.560) 24.860 1.557 ( 3.909 2.482 3.593) 5.861 1.810 ( 2.258 13.684 5.451) 14.902 2.026 ( -8.826 -3.460 -4.103) 10.330 2.116 ( -3.032 4.749 1.236) 5.768 2.443 ( 3.928 -5.216 3.342) 7.335 2.481 ( -0.446 1.059 0.367) 1.206 2.572 ( -2.020 -2.158 4.528) 5.408 2.609 ( 1.453 -5.002 4.037) 6.590 2.782 ( 3.934 2.295 -4.430) 6.353 2.876 ( -5.229 6.454 1.037) 8.371 3.060 ( 7.650 1.643 -1.914) 8.055 3.342 ( 5.729 3.223 -1.185) 6.679 3.480 ( -10.634 -4.583 -5.403) 12.778 3.794 ( -6.088 7.073 -1.438) 9.442 4.020 ( -0.030 -3.450 4.231) 5.459 4.077 ( 0.579 -0.559 -2.789) 2.903 4.349 ( 1.814 -2.027 -0.860) 2.853 4.372 ( 2.534 3.222 -3.561) 5.430 4.450 ( -1.068 0.713 3.163) 3.414 4.490 ( 5.233 3.059 1.982) 6.377 4.683 ( -1.177 -6.229 -0.776) 6.387 4.937 ( 3.743 -4.572 0.161) 5.911 5.088 ( 2.820 -3.270 4.396) 6.162 5.117 ( 3.563 -4.119 -2.708) 6.083 5.326 ( -3.583 -8.254 -5.700) 10.652 5.564 ( -0.248 -6.725 5.144) 8.471 5.689 ( -3.781 -10.222 3.917) 11.581 5.717 ( -2.022 -3.175 -4.269) 5.692 5.943 ( -5.131 2.733 4.121) 7.125 6.002 ( -1.191 0.299 -1.941) 2.297 6.464 ( 0.240 4.303 -1.065) 4.439 6.619 ( 3.311 4.917 2.288) 6.355 6.686 ( 1.456 -1.951 -5.453) 5.972 6.766 ( 1.406 6.208 5.955) 8.717 8.463 ( -2.552 1.675 -0.484) 3.090 8.534 ( -1.833 2.283 2.525) 3.866 8.806 ( -3.335 2.265 1.126) 4.185 8.907 ( 2.326 0.928 -3.742) 4.502 10.093 ( -2.050 -0.869 -7.151) 7.490 10.201 ( -6.320 0.308 1.202) 6.441 10.572 ( 2.395 -4.246 2.497) 5.477 10.630 ( 1.897 -3.673 -4.741) 6.291 10.761 ( -2.181 -4.282 -3.128) 5.733 10.860 ( 0.964 -0.820 -2.350) 2.669 11.449 ( -2.151 6.018 -3.232) 7.162 11.673 ( 1.253 3.446 7.569) 8.410 19.316 ( -1.684 -1.484 -0.091) 2.247 19.504 ( 2.068 -1.656 2.821) 3.870 19.890 ( -1.346 1.344 2.897) 3.466 19.991 ( 3.160 -0.729 -5.466) 6.356 20.310 ( -2.850 3.048 -4.405) 6.067 20.726 ( 8.014 -1.869 5.317) 9.797 20.907 ( -5.374 5.013 -5.839) 9.387 21.397 ( 8.822 -0.129 8.047) 11.942 21.839 ( 0.479 -7.882 1.109) 7.974 21.898 ( 1.130 -9.901 4.108) 10.779 22.326 ( -2.324 4.840 -4.268) 6.859 22.544 ( 4.004 7.662 2.964) 9.139 ======================= Grid point 205 (109/128) ======================= q-point: (-0.22 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -7.848 14.336 13.293) 21.067 1.321 ( -12.244 6.306 12.377) 18.517 1.675 ( -2.705 7.848 22.182) 23.684 1.813 ( -8.257 4.101 -5.525) 10.749 1.961 ( 5.055 1.578 11.854) 12.983 2.216 ( 6.729 6.508 4.245) 10.278 2.419 ( -4.764 4.039 -1.016) 6.328 2.533 ( -1.697 -3.101 4.869) 6.016 2.630 ( 5.048 -7.356 2.740) 9.333 2.663 ( -0.732 -4.683 0.663) 4.786 2.740 ( 2.012 9.499 -4.849) 10.853 2.971 ( 4.925 0.851 11.551) 12.586 3.139 ( 4.606 4.855 -0.631) 6.722 3.225 ( -11.366 -0.601 -1.441) 11.473 3.424 ( 4.770 1.696 -4.741) 6.935 3.705 ( -3.359 7.857 -0.872) 8.589 3.989 ( -3.972 -1.642 -4.775) 6.425 4.071 ( 1.684 -3.585 -2.862) 4.887 4.267 ( -2.263 -0.350 -5.009) 5.508 4.363 ( -1.040 1.186 -4.519) 4.787 4.450 ( -2.631 0.480 3.476) 4.386 4.545 ( 2.104 -3.473 0.087) 4.061 4.775 ( 5.712 -6.493 2.854) 9.107 4.982 ( 1.164 -6.070 0.125) 6.182 5.153 ( 4.840 -4.896 -2.573) 7.350 5.193 ( 2.901 -4.800 3.264) 6.490 5.248 ( 1.008 -5.981 -1.419) 6.229 5.560 ( -4.841 -4.141 1.576) 6.562 5.638 ( -1.558 1.868 -1.832) 3.045 5.692 ( -1.462 -13.464 3.503) 13.989 5.897 ( -6.278 3.044 4.162) 8.125 5.960 ( -2.191 1.825 -0.463) 2.889 6.453 ( 0.181 5.124 -1.638) 5.382 6.664 ( 0.326 -1.342 2.533) 2.885 6.706 ( 3.332 2.200 -0.765) 4.065 6.845 ( 0.812 6.386 2.795) 7.018 8.418 ( -2.071 1.309 -0.349) 2.475 8.523 ( -4.195 3.677 4.024) 6.879 8.759 ( -1.781 2.995 -1.198) 3.684 8.939 ( 6.493 1.486 -3.146) 7.366 9.991 ( 0.990 0.518 -8.289) 8.364 10.086 ( -8.980 0.401 1.552) 9.122 10.535 ( -3.488 -7.078 -5.936) 9.875 10.603 ( 0.576 -0.800 -6.785) 6.856 10.665 ( 0.448 -4.781 -4.707) 6.724 10.853 ( -3.936 -1.448 3.912) 5.735 11.468 ( 3.248 7.271 4.088) 8.951 11.761 ( -0.174 3.238 5.639) 6.505 19.310 ( 0.359 0.281 0.809) 0.929 19.532 ( -1.024 0.786 0.361) 1.341 19.915 ( 0.002 1.225 2.706) 2.970 19.973 ( 2.161 -1.131 -4.690) 5.286 20.255 ( 1.470 3.294 -2.700) 4.506 20.737 ( -3.312 1.590 -6.005) 7.040 20.950 ( 7.263 0.712 5.952) 9.417 21.555 ( 4.771 -2.180 -0.917) 5.325 21.849 ( 4.192 -8.920 -4.765) 10.948 21.994 ( -4.099 -18.248 9.875) 21.150 22.288 ( 2.858 9.409 0.155) 9.835 22.636 ( 4.057 8.874 0.600) 9.776 ======================= Grid point 206 (110/128) ======================= q-point: (-0.11 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -18.814 8.267 13.251) 24.453 1.331 ( 2.887 13.825 2.562) 14.354 1.625 ( -5.675 8.142 -0.418) 9.933 1.997 ( 2.422 6.033 22.513) 23.433 2.175 ( 3.199 -4.485 8.778) 10.363 2.211 ( -3.729 7.676 -3.665) 9.288 2.465 ( 1.528 6.090 8.713) 10.740 2.551 ( -0.917 -1.096 0.491) 1.511 2.613 ( 0.834 -3.364 0.295) 3.479 2.687 ( 4.464 1.054 -4.669) 6.545 2.847 ( 4.170 -1.216 6.672) 7.961 3.039 ( -7.865 1.957 -0.058) 8.105 3.166 ( 1.778 5.423 6.839) 8.907 3.242 ( 3.451 4.296 3.067) 6.307 3.438 ( 3.527 4.057 -0.267) 5.382 3.644 ( -2.770 4.257 -0.948) 5.166 3.838 ( -4.803 -3.199 -5.761) 8.154 3.966 ( -5.274 -0.992 -8.597) 10.134 4.187 ( -1.114 -3.324 -3.776) 5.153 4.385 ( 4.990 -0.106 -0.298) 5.000 4.408 ( -0.421 2.389 -2.858) 3.749 4.559 ( -2.363 -4.064 1.091) 4.826 4.865 ( 2.239 -10.059 1.672) 10.440 4.975 ( -0.725 -10.037 -1.057) 10.118 5.203 ( 3.089 -4.405 0.873) 5.451 5.286 ( 5.814 -4.766 0.127) 7.520 5.297 ( 1.557 -5.070 2.604) 5.909 5.462 ( -6.070 -5.996 -1.483) 8.660 5.650 ( 2.220 3.425 1.754) 4.442 5.712 ( -0.675 -10.645 2.733) 11.011 5.837 ( -5.533 4.584 3.377) 7.939 5.918 ( -1.775 7.057 -1.508) 7.431 6.447 ( 0.175 6.326 0.998) 6.407 6.668 ( -2.189 3.075 -1.639) 4.115 6.758 ( 2.338 -0.418 2.346) 3.339 6.865 ( 1.773 2.631 -1.489) 3.505 8.397 ( -0.362 1.497 0.667) 1.679 8.488 ( -4.780 4.109 2.884) 6.932 8.738 ( -0.654 2.825 1.518) 3.273 9.002 ( 7.300 1.068 -8.185) 11.019 9.937 ( 1.552 1.566 -5.312) 5.751 9.960 ( -6.412 0.848 0.116) 6.469 10.388 ( -9.212 -4.679 2.139) 10.551 10.534 ( 3.621 -3.276 -10.035) 11.160 10.671 ( 5.120 -2.690 -2.862) 6.453 10.811 ( -6.263 -1.798 3.376) 7.339 11.602 ( 4.749 5.100 5.601) 8.940 11.795 ( -1.859 3.156 3.000) 4.735 19.340 ( 1.182 2.006 1.744) 2.909 19.495 ( -1.490 2.245 -2.132) 3.436 19.933 ( -2.234 1.360 2.964) 3.953 19.961 ( 3.394 -0.786 -4.713) 5.861 20.291 ( 3.520 2.753 1.119) 4.607 20.613 ( -3.012 2.042 -6.225) 7.210 21.139 ( 6.296 -0.726 6.680) 9.208 21.551 ( -0.922 -2.360 -4.566) 5.222 21.869 ( 2.287 -10.599 -1.850) 10.999 21.954 ( -6.061 -15.070 2.265) 16.401 22.402 ( 4.852 6.375 4.290) 9.088 22.668 ( 1.556 7.964 -3.604) 8.879 ======================= Grid point 207 (111/128) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -7.412 13.221 10.930) 18.687 1.510 ( 7.974 8.835 -11.993) 16.896 1.980 ( 0.707 7.201 10.140) 12.457 2.117 ( 0.575 1.500 -3.219) 3.597 2.178 ( -2.939 -3.420 8.379) 9.515 2.318 ( 0.301 -1.831 -2.529) 3.137 2.483 ( -0.191 -0.458 3.920) 3.951 2.575 ( 2.057 -1.318 -3.616) 4.364 2.737 ( 3.051 10.147 10.008) 14.574 2.856 ( 0.057 7.175 1.613) 7.354 3.009 ( -0.328 5.279 4.002) 6.633 3.097 ( 1.388 6.627 -2.625) 7.262 3.308 ( 0.128 8.009 5.440) 9.683 3.443 ( 0.729 8.043 -2.691) 8.513 3.613 ( 0.614 3.557 1.168) 3.794 3.650 ( -1.763 3.417 -0.414) 3.867 3.746 ( 0.888 1.929 1.689) 2.714 3.801 ( -2.947 2.747 -5.784) 7.049 4.080 ( -0.140 -4.857 2.498) 5.463 4.231 ( -3.861 -7.488 -7.690) 11.406 4.442 ( -3.650 -1.735 1.053) 4.177 4.477 ( 6.932 -4.763 -2.752) 8.849 4.667 ( -2.197 -10.257 3.381) 11.021 4.737 ( 2.441 -9.327 -3.335) 10.202 5.209 ( 2.900 -6.679 2.069) 7.569 5.220 ( -2.957 -4.880 1.016) 5.795 5.229 ( -1.218 -4.992 1.016) 5.238 5.242 ( -0.606 -4.381 -0.195) 4.427 5.580 ( -1.747 -5.892 2.401) 6.598 5.604 ( 2.902 -6.624 -0.137) 7.233 6.003 ( 1.648 7.027 0.987) 7.285 6.047 ( 1.335 6.094 -2.576) 6.749 6.597 ( 1.657 4.326 2.850) 5.439 6.658 ( -2.424 2.346 -1.862) 3.853 6.831 ( -0.046 2.466 0.956) 2.645 6.889 ( 4.396 -0.092 -4.161) 6.053 8.479 ( 2.187 2.738 0.902) 3.618 8.499 ( -3.103 2.427 -0.381) 3.958 8.840 ( -1.552 4.324 5.464) 7.139 8.991 ( 2.529 0.815 -8.542) 8.946 9.902 ( -7.306 3.599 4.859) 9.484 10.022 ( 6.692 5.013 -6.350) 10.499 10.215 ( -7.238 -5.090 7.840) 11.823 10.396 ( 3.617 -4.751 -9.555) 11.267 10.658 ( -1.818 -4.272 2.124) 5.106 10.699 ( 3.456 -4.030 -2.337) 5.800 11.810 ( 1.886 4.099 3.519) 5.722 11.841 ( -2.605 3.384 0.493) 4.298 19.446 ( -0.735 3.434 1.712) 3.907 19.495 ( 0.745 2.144 -3.100) 3.842 19.937 ( -2.501 1.220 2.469) 3.719 19.986 ( 2.963 0.834 -2.252) 3.814 20.439 ( 1.491 3.498 2.589) 4.600 20.534 ( -1.570 2.081 -6.192) 6.719 21.258 ( 1.388 -3.861 6.430) 7.628 21.315 ( -8.733 -6.877 1.540) 11.222 21.662 ( -2.672 -5.013 2.703) 6.291 21.748 ( 6.053 -8.492 -4.856) 11.503 22.629 ( 1.853 5.017 3.418) 6.347 22.712 ( -0.635 2.919 -4.630) 5.510 ======================= Grid point 208 (112/128) ======================= q-point: ( 0.11 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -0.342 10.239 9.530) 13.992 1.560 ( 13.873 9.994 -10.726) 20.185 2.020 ( -2.393 1.725 -1.038) 3.127 2.099 ( 1.755 3.678 -2.242) 4.651 2.248 ( -1.035 -0.922 7.479) 7.607 2.308 ( 3.824 -2.661 -4.027) 6.158 2.486 ( -1.746 0.366 -0.502) 1.853 2.581 ( 2.826 -1.075 -2.270) 3.781 2.768 ( -2.232 8.375 -6.736) 10.977 2.876 ( 0.748 11.055 0.648) 11.100 2.976 ( -3.928 2.684 -0.287) 4.766 3.140 ( 4.488 5.829 -2.811) 7.876 3.252 ( -7.717 6.357 -0.238) 10.001 3.483 ( 4.010 9.168 -2.343) 10.277 3.530 ( -6.124 3.737 0.680) 7.206 3.714 ( 2.993 2.257 -0.994) 3.878 3.763 ( 1.535 3.683 0.170) 3.993 3.793 ( 2.778 1.707 7.048) 7.765 4.097 ( -2.214 -7.036 -3.472) 8.152 4.189 ( 2.240 -4.873 10.090) 11.427 4.393 ( -1.963 -0.297 -0.391) 2.024 4.530 ( 2.990 -6.324 -3.819) 7.970 4.677 ( -1.492 -10.072 2.588) 10.505 4.750 ( 4.035 -7.727 -2.940) 9.199 5.118 ( -7.392 -4.745 1.216) 8.868 5.187 ( -3.453 -7.374 -0.213) 8.145 5.235 ( -1.299 -4.116 -0.942) 4.418 5.311 ( 4.351 -5.617 2.017) 7.386 5.548 ( -1.216 -5.374 -1.023) 5.604 5.663 ( 3.146 -6.760 -1.004) 7.523 6.041 ( 2.212 6.625 -0.857) 7.037 6.055 ( 4.496 5.705 -3.424) 8.030 6.561 ( -3.923 3.465 -1.493) 5.443 6.652 ( -1.606 0.697 2.144) 2.768 6.822 ( 1.526 4.474 -1.602) 4.991 6.948 ( 7.025 -0.363 -4.696) 8.458 8.449 ( -1.756 2.583 -0.317) 3.139 8.544 ( 3.185 1.157 1.775) 3.825 8.881 ( -2.356 3.600 6.409) 7.720 8.919 ( 0.733 3.160 -7.512) 8.182 9.861 ( -5.650 3.841 6.332) 9.315 10.072 ( 7.493 4.174 -4.964) 9.910 10.212 ( -6.422 -5.339 10.348) 13.297 10.385 ( 5.299 -4.842 -4.633) 8.543 10.595 ( -3.475 -1.802 -0.068) 3.915 10.793 ( 7.458 -5.860 -2.388) 9.780 11.780 ( -4.026 5.001 -1.166) 6.525 11.862 ( 0.505 2.481 1.791) 3.101 19.395 ( -4.544 2.358 0.081) 5.120 19.509 ( 1.115 0.878 0.048) 1.420 19.925 ( -1.542 2.679 1.750) 3.552 20.011 ( 3.128 0.756 -2.318) 3.966 20.367 ( -7.525 2.087 -0.890) 7.859 20.551 ( 2.911 0.847 1.719) 3.485 21.143 ( -11.579 -2.932 3.737) 12.515 21.386 ( 2.038 -4.028 5.136) 6.838 21.649 ( -1.671 -3.961 1.408) 4.524 21.799 ( 7.061 -10.350 -5.339) 13.619 22.610 ( -3.702 5.655 -2.826) 7.326 22.709 ( 1.905 2.780 1.036) 3.526 ======================= Grid point 209 (113/128) ======================= q-point: ( 0.22 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 3.848 7.043 6.078) 10.068 1.682 ( 14.347 10.019 -10.215) 20.262 1.969 ( 0.472 1.818 -4.775) 5.132 2.068 ( 1.826 4.629 -6.478) 8.169 2.253 ( 0.053 -2.890 -4.687) 5.506 2.328 ( -2.954 1.540 0.358) 3.350 2.462 ( -0.477 1.112 -0.932) 1.527 2.555 ( 3.972 -3.959 -6.860) 8.861 2.671 ( -2.151 4.469 -8.463) 9.809 2.825 ( 0.360 14.508 -3.089) 14.837 2.882 ( -3.724 2.477 -4.542) 6.374 3.115 ( -6.534 3.064 0.941) 7.278 3.176 ( -0.236 0.911 -3.544) 3.667 3.394 ( -4.214 9.104 -2.490) 10.337 3.454 ( -2.438 2.695 -4.951) 6.142 3.793 ( 3.156 3.742 4.033) 6.343 3.861 ( 5.165 2.342 5.374) 7.813 3.930 ( 0.625 1.572 6.951) 7.154 4.113 ( 4.729 -3.536 3.664) 6.949 4.331 ( 1.224 -5.167 6.936) 8.735 4.385 ( 0.992 1.043 1.079) 1.799 4.492 ( -1.117 -3.952 -3.736) 5.552 4.672 ( -1.850 -7.554 1.821) 7.987 4.781 ( 0.585 -8.127 -0.329) 8.154 5.006 ( -8.538 -3.819 2.200) 9.608 5.147 ( 1.491 -9.470 -2.579) 9.928 5.173 ( -2.689 -3.693 -3.136) 5.541 5.401 ( 3.006 -7.704 2.652) 8.684 5.524 ( 0.755 -5.330 -2.720) 6.031 5.678 ( 1.158 -4.819 -2.001) 5.344 6.061 ( 1.695 6.214 -1.703) 6.662 6.095 ( 6.082 4.019 -5.027) 8.856 6.498 ( -2.193 2.139 -0.311) 3.079 6.613 ( -3.613 -2.033 0.315) 4.158 6.839 ( 2.584 4.925 -3.383) 6.509 6.990 ( 5.311 0.250 -5.722) 7.811 8.438 ( 0.044 2.446 0.825) 2.582 8.612 ( 2.353 -0.670 1.133) 2.696 8.849 ( -0.496 5.021 -3.679) 6.244 8.910 ( -1.780 3.527 3.911) 5.560 9.865 ( -3.346 3.268 7.378) 8.735 10.145 ( 5.471 0.801 -1.995) 5.878 10.246 ( -3.359 -4.656 9.961) 11.497 10.458 ( 5.684 -3.769 1.018) 6.896 10.569 ( 0.282 -0.277 0.419) 0.577 10.864 ( 5.574 -5.811 -4.059) 9.017 11.688 ( -4.415 6.831 -2.186) 8.422 11.867 ( -1.036 1.271 -0.234) 1.657 19.326 ( -3.543 0.955 0.010) 3.669 19.507 ( -2.498 -2.291 1.234) 3.607 19.934 ( 0.974 3.849 0.522) 4.005 20.022 ( 1.520 0.854 -3.239) 3.679 20.252 ( -6.662 2.314 3.011) 7.669 20.603 ( -1.672 -4.289 4.986) 6.786 21.029 ( -6.330 4.330 2.692) 8.128 21.448 ( -0.778 -3.675 3.338) 5.025 21.642 ( -0.980 -3.673 1.186) 3.982 21.846 ( 6.163 -12.260 -5.938) 14.952 22.508 ( -3.956 7.914 -2.930) 9.320 22.730 ( -0.495 1.733 -0.008) 1.802 ======================= Grid point 210 (114/128) ======================= q-point: ( 0.33 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 3.657 7.334 -1.364) 8.308 1.727 ( 2.967 7.631 -7.644) 11.201 1.915 ( 3.810 5.090 -14.237) 15.592 2.033 ( 5.957 5.880 -7.564) 11.282 2.183 ( -2.289 4.919 -3.979) 6.728 2.225 ( -2.773 -0.497 -4.248) 5.097 2.366 ( -6.403 -0.356 -4.355) 7.752 2.570 ( 2.582 0.312 -5.245) 5.855 2.588 ( 4.267 -6.243 -4.661) 8.883 2.707 ( -2.885 2.113 -8.619) 9.331 2.892 ( 0.328 11.465 4.122) 12.188 2.970 ( -6.343 0.603 -5.011) 8.106 3.111 ( -2.624 1.707 -0.825) 3.237 3.358 ( -4.257 2.956 1.309) 5.345 3.406 ( 4.841 5.846 0.139) 7.592 3.863 ( 1.241 -1.844 1.270) 2.560 3.966 ( -0.111 0.476 4.923) 4.947 4.020 ( 1.654 5.929 4.926) 7.883 4.231 ( 0.345 -1.167 4.547) 4.707 4.393 ( 1.629 1.787 2.187) 3.260 4.436 ( 2.638 -2.761 1.273) 4.026 4.464 ( 0.137 -4.108 1.940) 4.545 4.650 ( -1.984 -1.028 -2.041) 3.026 4.756 ( -4.191 -10.394 2.439) 11.469 4.908 ( -6.821 -4.436 4.154) 9.136 5.096 ( 0.273 -6.333 -5.444) 8.356 5.176 ( 4.661 -7.173 -2.379) 8.879 5.461 ( -0.127 -8.058 1.726) 8.242 5.508 ( 2.153 -6.469 -2.639) 7.311 5.666 ( -0.080 -4.009 -1.429) 4.257 6.058 ( 0.768 5.830 -1.720) 6.127 6.129 ( 5.261 2.370 -5.637) 8.067 6.482 ( -0.272 1.496 0.808) 1.722 6.571 ( -1.838 -2.277 0.747) 3.020 6.806 ( 0.926 4.234 -6.634) 7.924 6.982 ( 2.321 0.726 -6.767) 7.190 8.464 ( 0.832 2.100 2.005) 3.020 8.632 ( 0.256 -0.652 -1.413) 1.577 8.831 ( -0.075 4.190 1.264) 4.378 8.920 ( -0.050 3.243 0.661) 3.310 9.930 ( -0.294 2.108 8.787) 9.041 10.189 ( -0.568 -3.937 2.913) 4.931 10.335 ( 1.639 -0.918 6.723) 6.981 10.573 ( 4.717 -5.450 2.297) 7.565 10.608 ( 2.689 1.798 1.642) 3.627 10.879 ( 2.971 -4.577 -5.279) 7.593 11.600 ( -3.014 7.620 -1.483) 8.327 11.823 ( -2.346 0.482 -2.528) 3.483 19.287 ( -1.154 -0.692 0.308) 1.380 19.455 ( -5.223 -4.559 1.098) 7.019 19.960 ( 2.719 3.169 -2.299) 4.766 19.983 ( -1.510 0.969 -1.834) 2.566 20.247 ( -1.721 2.766 7.652) 8.317 20.607 ( -5.586 -6.858 5.863) 10.612 21.005 ( 0.065 9.415 2.025) 9.630 21.435 ( -3.352 -2.262 0.110) 4.045 21.645 ( -0.818 -4.097 1.703) 4.512 21.847 ( 3.350 -12.050 -7.639) 14.656 22.434 ( -1.569 8.481 -0.844) 8.666 22.690 ( -2.424 1.445 -2.433) 3.726 ======================= Grid point 211 (115/128) ======================= q-point: ( 0.44 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -5.602 10.230 -3.635) 12.216 1.695 ( 0.962 9.255 -12.989) 15.977 1.771 ( 6.834 10.974 -8.906) 15.699 1.951 ( -10.651 9.138 -5.433) 15.048 2.114 ( 4.510 -3.197 -2.341) 6.003 2.240 ( -0.744 -4.943 -5.811) 7.665 2.278 ( 4.303 0.738 1.466) 4.605 2.482 ( -3.986 -4.576 -8.270) 10.258 2.554 ( -1.014 1.986 0.139) 2.235 2.666 ( 2.970 -0.945 -5.250) 6.105 2.829 ( -3.188 6.135 -0.655) 6.945 2.902 ( -1.856 3.748 -0.699) 4.240 3.145 ( 3.693 2.565 3.378) 5.624 3.297 ( -3.374 3.121 -0.851) 4.674 3.548 ( 6.375 1.403 5.799) 8.731 3.834 ( -3.361 -4.953 -4.281) 7.359 4.011 ( -1.395 1.702 6.258) 6.633 4.077 ( 0.684 3.946 1.973) 4.465 4.254 ( -2.613 2.140 5.887) 6.787 4.426 ( -0.120 1.819 0.476) 1.884 4.471 ( -0.723 3.055 0.616) 3.199 4.540 ( 1.367 -4.625 0.571) 4.857 4.569 ( 1.830 -3.666 -1.643) 4.415 4.711 ( -4.030 -8.152 1.407) 9.202 4.886 ( -3.300 -6.089 4.919) 8.495 5.056 ( 4.066 -7.673 -8.318) 12.025 5.236 ( 3.528 -4.372 1.410) 5.793 5.415 ( -2.549 -5.182 -3.713) 6.866 5.554 ( 2.256 -8.636 2.136) 9.178 5.639 ( -1.491 -5.747 -0.940) 6.012 6.052 ( -0.519 5.298 0.289) 5.332 6.132 ( 2.706 1.824 -5.162) 6.107 6.502 ( 1.363 0.721 0.768) 1.723 6.563 ( -0.721 -1.942 0.570) 2.148 6.750 ( 1.516 5.202 -4.268) 6.898 6.908 ( -0.108 1.675 -8.575) 8.737 8.504 ( 0.274 1.804 2.854) 3.388 8.604 ( -0.357 0.647 -2.514) 2.621 8.855 ( -1.148 2.414 3.625) 4.504 8.928 ( 1.774 1.667 -1.698) 2.968 10.051 ( 2.078 0.098 8.578) 8.826 10.196 ( -2.962 -4.250 3.160) 6.068 10.434 ( 1.156 0.235 5.474) 5.599 10.622 ( 2.667 -5.422 -4.039) 7.268 10.692 ( 1.198 1.897 5.070) 5.544 10.853 ( 2.476 -3.081 -5.714) 6.948 11.572 ( -0.313 6.034 1.737) 6.286 11.736 ( -3.021 0.577 -4.389) 5.360 19.299 ( 1.834 -2.018 0.763) 2.831 19.375 ( -4.881 -4.149 0.300) 6.413 19.931 ( -2.741 1.107 0.931) 3.099 19.984 ( 3.091 0.649 -3.556) 4.757 20.352 ( 1.974 2.285 9.027) 9.518 20.561 ( -5.380 -3.126 2.035) 6.547 21.074 ( 3.305 7.955 4.739) 9.832 21.338 ( -5.709 0.612 -3.567) 6.760 21.653 ( -1.167 -4.822 2.476) 5.545 21.791 ( 1.626 -9.312 -7.674) 12.176 22.446 ( 2.087 5.833 1.750) 6.438 22.604 ( -2.816 1.917 -4.245) 5.443 ======================= Grid point 212 (116/128) ======================= q-point: (-0.44 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -8.044 13.412 7.637) 17.405 1.555 ( 1.057 12.414 -7.025) 14.303 1.737 ( -7.301 11.483 -3.184) 13.975 1.891 ( 10.232 8.810 -0.328) 13.506 2.095 ( -5.349 -5.312 -0.189) 7.541 2.220 ( 6.039 -6.869 -4.566) 10.222 2.294 ( -8.312 -2.214 1.508) 8.733 2.370 ( -0.527 -1.571 1.547) 2.267 2.558 ( -0.364 0.173 -0.046) 0.406 2.617 ( 0.429 5.405 -3.137) 6.264 2.858 ( 1.952 3.603 -1.043) 4.228 2.893 ( 5.880 3.144 -0.539) 6.690 3.177 ( -5.902 4.770 1.813) 7.802 3.285 ( 4.869 0.488 -0.571) 4.926 3.641 ( -8.106 -1.526 -0.231) 8.251 3.754 ( 5.577 -2.613 0.517) 6.180 4.041 ( -3.272 2.479 2.624) 4.872 4.099 ( 1.562 1.300 0.541) 2.103 4.298 ( -3.865 1.673 7.728) 8.801 4.405 ( 3.094 0.313 -3.594) 4.752 4.475 ( 0.117 3.952 1.844) 4.362 4.499 ( -0.350 0.817 -1.457) 1.707 4.632 ( -4.749 -8.422 -2.030) 9.879 4.700 ( 5.503 -8.003 3.044) 10.178 4.905 ( -0.695 -6.152 4.335) 7.558 5.027 ( 5.347 -6.586 -9.334) 12.613 5.299 ( -3.922 -4.280 -1.307) 5.951 5.329 ( 1.268 -4.008 1.775) 4.564 5.581 ( -3.149 -6.844 0.367) 7.542 5.622 ( 1.709 -8.153 0.374) 8.339 6.043 ( -2.869 4.569 2.705) 6.035 6.101 ( 0.137 2.548 -3.883) 4.646 6.510 ( -1.933 -0.492 0.496) 2.056 6.578 ( 4.666 -1.245 -2.177) 5.297 6.782 ( 2.525 5.118 2.111) 6.085 6.798 ( -0.584 3.119 -7.151) 7.823 8.533 ( -1.440 1.847 3.031) 3.830 8.571 ( 0.319 1.401 -2.406) 2.802 8.868 ( -2.322 2.184 3.508) 4.740 8.933 ( 1.908 0.657 -2.968) 3.589 10.147 ( -2.871 -1.883 2.404) 4.191 10.186 ( 1.710 -2.740 1.720) 3.660 10.488 ( -2.748 0.007 5.475) 6.126 10.581 ( 0.513 -4.214 -5.779) 7.171 10.743 ( -1.002 0.333 2.960) 3.143 10.839 ( 4.050 -2.423 -6.399) 7.951 11.615 ( -1.493 3.489 2.516) 4.553 11.647 ( 0.406 2.559 -1.165) 2.841 19.316 ( -1.845 -1.918 -0.496) 2.707 19.364 ( 4.334 -2.794 1.258) 5.308 19.908 ( -2.900 0.642 3.096) 4.290 19.984 ( 2.055 -0.959 -3.695) 4.336 20.458 ( -3.344 1.497 2.078) 4.212 20.531 ( 4.993 0.254 2.115) 5.428 21.181 ( -6.189 4.365 -4.784) 8.958 21.216 ( 4.233 3.431 7.665) 9.404 21.666 ( -1.750 -5.729 3.846) 7.119 21.739 ( 1.688 -7.643 -5.734) 9.702 22.502 ( -1.636 3.728 -1.836) 4.466 22.538 ( 3.996 3.225 0.203) 5.139 ======================= Grid point 213 (117/128) ======================= q-point: (-0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -4.906 12.537 13.761) 19.252 1.553 ( -7.141 15.824 9.035) 19.571 1.671 ( 2.764 7.970 2.017) 8.673 1.962 ( -8.417 -0.959 -1.909) 8.683 2.084 ( 8.232 8.947 5.286) 13.257 2.178 ( -4.543 -0.127 1.467) 4.776 2.306 ( 5.185 -7.385 3.439) 9.656 2.420 ( -1.335 -9.311 5.440) 10.866 2.521 ( -2.574 1.288 -0.023) 2.878 2.618 ( -1.071 7.804 1.904) 8.104 2.877 ( 3.648 7.014 0.337) 7.913 3.004 ( 5.194 1.275 -3.583) 6.437 3.125 ( 1.719 6.197 -0.391) 6.443 3.358 ( 3.760 -2.800 0.628) 4.730 3.457 ( -8.999 4.505 -2.742) 10.431 3.844 ( 0.699 -3.079 1.743) 3.606 4.003 ( -3.027 2.487 2.139) 4.464 4.109 ( 1.060 3.700 -3.960) 5.523 4.309 ( 0.316 -1.029 0.772) 1.325 4.426 ( -1.683 -1.606 -1.633) 2.842 4.456 ( -1.208 -0.560 0.857) 1.583 4.499 ( -4.990 -7.973 -3.296) 9.966 4.571 ( 4.804 3.295 3.317) 6.703 4.807 ( 4.720 -7.493 -0.963) 8.908 4.957 ( 0.862 -8.100 3.851) 9.011 5.032 ( 6.129 -5.264 -5.567) 9.812 5.181 ( -4.817 -5.391 -2.041) 7.512 5.399 ( 0.041 -3.652 5.101) 6.273 5.517 ( -3.681 -9.207 -0.776) 9.946 5.640 ( -0.663 -5.046 0.675) 5.134 6.021 ( -4.474 4.373 4.091) 7.475 6.060 ( -0.525 3.604 -1.836) 4.078 6.493 ( 0.098 0.170 0.013) 0.197 6.621 ( 3.122 -3.778 -3.950) 6.295 6.726 ( 0.398 5.520 -0.833) 5.597 6.879 ( 2.846 3.358 3.752) 5.784 8.510 ( -1.460 2.736 -1.494) 3.443 8.574 ( -0.874 1.483 2.507) 3.042 8.863 ( -1.526 3.151 0.762) 3.583 8.929 ( 1.924 1.167 -1.824) 2.897 10.083 ( -1.801 0.151 -4.005) 4.394 10.196 ( -3.216 -1.099 -0.182) 3.403 10.474 ( -0.614 -4.677 -3.073) 5.630 10.537 ( -3.449 -5.001 2.818) 6.697 10.715 ( -0.597 -0.283 -5.438) 5.478 10.830 ( 1.014 -1.981 -2.430) 3.295 11.578 ( -0.461 6.294 0.409) 6.324 11.731 ( 1.911 1.834 5.734) 6.316 19.306 ( 1.824 0.728 -1.258) 2.332 19.459 ( 4.843 -2.706 1.209) 5.678 19.908 ( -1.654 0.459 3.395) 3.804 19.968 ( 0.250 -1.459 -1.979) 2.472 20.390 ( -0.475 4.736 -5.119) 6.990 20.666 ( 6.048 -3.794 1.442) 7.284 21.042 ( -4.357 7.699 -2.510) 9.195 21.379 ( 3.989 -2.117 6.878) 8.228 21.686 ( -2.604 -7.113 5.656) 9.454 21.709 ( 1.328 -7.351 -3.843) 8.401 22.449 ( 0.138 6.453 -2.322) 6.860 22.642 ( 5.215 2.170 1.883) 5.954 ======================= Grid point 214 (118/128) ======================= q-point: (-0.22 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -13.912 11.947 9.245) 20.536 1.517 ( -0.095 12.477 6.324) 13.989 1.821 ( -3.460 7.260 11.340) 13.902 1.859 ( 2.159 0.272 4.484) 4.984 2.127 ( -2.139 8.448 3.886) 9.542 2.315 ( 7.006 0.278 4.567) 8.367 2.396 ( -7.566 -5.919 8.266) 12.673 2.465 ( 6.485 -5.966 4.456) 9.875 2.496 ( -1.733 0.840 1.937) 2.732 2.647 ( -0.428 6.434 5.765) 8.650 2.966 ( 2.345 8.678 -5.246) 10.408 3.019 ( 5.969 3.309 5.042) 8.485 3.182 ( 2.048 3.526 -1.039) 4.208 3.332 ( -2.581 8.942 1.307) 9.398 3.435 ( 4.923 -0.607 -0.247) 4.967 3.818 ( -4.813 0.854 1.049) 5.000 3.994 ( 0.040 -2.435 -3.079) 3.925 4.029 ( -2.673 6.225 -5.633) 8.811 4.236 ( -5.295 -1.287 -7.009) 8.878 4.392 ( -0.127 -7.543 1.425) 7.677 4.415 ( -1.099 1.657 -1.616) 2.562 4.453 ( -0.535 -3.887 -0.562) 3.963 4.672 ( 2.409 -2.970 2.116) 4.371 4.807 ( -1.558 -9.635 -2.882) 10.177 5.023 ( 3.334 -6.958 1.780) 7.918 5.095 ( 5.149 -6.970 -0.555) 8.684 5.143 ( 1.810 -3.058 0.682) 3.618 5.419 ( -5.598 -7.083 2.603) 9.396 5.473 ( 0.703 -7.137 1.060) 7.250 5.625 ( -2.717 -3.707 2.229) 5.108 5.995 ( -4.153 5.568 3.821) 7.928 6.048 ( 0.486 4.467 -0.321) 4.505 6.507 ( 1.809 1.408 -0.863) 2.449 6.616 ( 1.737 -2.651 -0.712) 3.248 6.769 ( 1.795 3.771 2.185) 4.714 6.935 ( 0.324 1.818 0.655) 1.960 8.470 ( -0.621 3.455 -2.044) 4.062 8.581 ( -2.754 1.738 3.348) 4.671 8.833 ( -1.063 4.199 -1.361) 4.540 8.971 ( 4.794 1.276 -1.427) 5.162 10.016 ( 1.509 2.226 -6.290) 6.840 10.101 ( -7.824 1.250 1.173) 8.010 10.388 ( -4.578 -6.697 -3.414) 8.802 10.531 ( 0.196 -7.806 -0.519) 7.825 10.617 ( -0.641 1.634 -7.804) 7.999 10.808 ( -2.391 -2.900 0.287) 3.769 11.623 ( 2.348 7.561 3.799) 8.781 11.815 ( 0.649 1.660 4.623) 4.955 19.341 ( 4.212 2.841 -1.548) 5.311 19.529 ( 2.384 -1.113 -0.041) 2.631 19.932 ( 1.205 0.060 0.790) 1.442 19.953 ( -1.730 -0.497 1.924) 2.635 20.345 ( 2.871 5.591 -5.313) 8.230 20.718 ( 1.847 -3.835 -4.651) 6.305 21.016 ( 1.328 5.905 3.039) 6.773 21.477 ( 1.008 -6.371 1.946) 6.738 21.689 ( -0.686 -7.939 -0.648) 7.995 21.705 ( -2.238 -8.208 4.226) 9.499 22.466 ( 2.917 8.243 0.736) 8.774 22.733 ( 4.132 1.359 -0.314) 4.361 ======================= Grid point 215 (119/128) ======================= q-point: (-0.11 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -13.954 12.962 9.342) 21.213 1.545 ( 3.856 8.896 -7.841) 12.470 1.856 ( -3.219 10.960 12.051) 16.605 2.037 ( 4.549 -4.114 6.545) 8.969 2.169 ( -2.759 0.766 6.547) 7.146 2.362 ( -4.592 4.093 1.127) 6.254 2.394 ( 0.772 -3.597 7.904) 8.718 2.557 ( 4.717 -3.384 -4.889) 7.590 2.612 ( 1.345 6.253 10.800) 12.552 2.744 ( 1.309 5.552 10.136) 11.631 2.947 ( 2.764 8.198 -1.711) 8.819 3.145 ( -2.445 7.801 -0.988) 8.235 3.204 ( 5.837 3.032 4.695) 8.081 3.397 ( 2.067 6.385 5.119) 8.441 3.517 ( 5.748 3.706 0.924) 6.901 3.733 ( -5.964 2.614 0.687) 6.548 3.826 ( -6.018 4.167 -8.050) 10.880 3.960 ( -3.174 1.138 -7.594) 8.309 4.098 ( -0.951 -4.182 -3.786) 5.721 4.354 ( -2.691 -5.751 -2.516) 6.830 4.420 ( 3.952 -3.382 -4.462) 6.853 4.457 ( -0.992 -1.820 3.100) 3.729 4.689 ( -3.408 -7.366 2.038) 8.368 4.744 ( 0.154 -11.175 -2.744) 11.508 5.111 ( 4.669 -5.339 1.754) 7.307 5.173 ( 3.950 -5.580 0.630) 6.865 5.210 ( 2.886 -3.755 1.279) 4.906 5.328 ( -6.626 -7.327 0.748) 9.907 5.520 ( 2.393 -6.434 1.793) 7.095 5.612 ( -3.013 -5.010 3.276) 6.702 5.982 ( -1.630 7.242 2.433) 7.811 6.053 ( 0.664 5.212 -0.963) 5.341 6.536 ( 2.515 3.281 0.348) 4.149 6.665 ( 1.898 -1.923 1.776) 3.233 6.806 ( 1.153 3.530 -0.020) 3.714 6.913 ( -1.330 1.631 -1.735) 2.727 8.452 ( 0.812 3.534 -0.901) 3.736 8.555 ( -3.868 2.082 1.499) 4.642 8.816 ( -1.043 4.825 1.880) 5.282 9.017 ( 5.060 0.059 -5.951) 7.811 9.987 ( -7.230 2.255 1.865) 7.800 9.998 ( 3.736 4.494 -5.097) 7.755 10.276 ( -7.428 -5.902 2.474) 9.804 10.475 ( 2.365 -4.417 -11.472) 12.518 10.592 ( 2.636 -2.985 0.669) 4.038 10.756 ( -4.287 -3.556 0.413) 5.585 11.720 ( 2.921 6.118 4.502) 8.138 11.854 ( -1.031 2.247 2.552) 3.553 19.400 ( 4.140 3.774 -0.693) 5.645 19.533 ( -0.508 1.130 -1.589) 2.015 19.943 ( -0.697 -0.266 0.916) 1.182 19.966 ( 0.714 1.081 0.697) 1.471 20.368 ( 4.666 4.937 -1.584) 6.975 20.646 ( -1.802 0.373 -6.272) 6.537 21.123 ( 4.687 -0.315 5.010) 6.868 21.447 ( -6.090 -8.657 0.458) 10.594 21.673 ( -3.153 -7.009 3.452) 8.425 21.717 ( 2.748 -7.616 -2.296) 8.416 22.544 ( 3.457 6.938 2.774) 8.233 22.758 ( 1.289 1.462 -3.166) 3.718 ======================= Grid point 216 (120/128) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -5.578 13.066 6.255) 15.523 1.673 ( 4.339 4.412 -6.179) 8.745 1.907 ( -3.745 -5.735 4.823) 8.377 1.984 ( 5.694 -9.030 -1.944) 10.851 2.268 ( -0.164 5.611 8.097) 9.852 2.337 ( -3.538 -0.214 2.403) 4.282 2.458 ( 1.608 0.239 1.280) 2.069 2.511 ( 3.599 -3.857 -2.615) 5.888 2.948 ( 2.922 8.469 5.871) 10.711 3.009 ( -0.588 4.233 4.013) 5.863 3.111 ( 0.267 4.970 0.228) 4.982 3.178 ( -1.177 0.257 -3.268) 3.483 3.447 ( 3.419 5.954 8.268) 10.747 3.530 ( 2.619 -0.515 5.545) 6.154 3.682 ( 0.324 2.784 -1.232) 3.061 3.720 ( -0.463 0.003 -2.205) 2.253 3.818 ( -2.328 5.698 -0.400) 6.168 3.893 ( -3.090 3.431 -6.318) 7.825 4.081 ( 0.002 5.886 -1.804) 6.157 4.099 ( -3.275 1.053 -2.915) 4.509 4.300 ( -5.247 -12.199 2.561) 13.524 4.336 ( 3.763 -10.012 -1.103) 10.753 4.571 ( 0.705 -0.096 0.162) 0.730 4.604 ( 2.657 -3.614 -2.756) 5.265 5.070 ( -1.064 -4.051 1.560) 4.470 5.091 ( -1.928 -5.440 -0.426) 5.788 5.191 ( 1.792 -0.955 0.747) 2.163 5.192 ( -0.027 -1.145 0.679) 1.332 5.499 ( 0.412 -1.771 1.456) 2.329 5.510 ( 0.380 -2.695 0.331) 2.742 6.101 ( 1.339 2.868 -0.189) 3.171 6.118 ( 1.513 1.241 -1.579) 2.514 6.658 ( 1.424 1.955 1.981) 3.126 6.678 ( -0.350 -0.092 0.548) 0.657 6.873 ( 1.531 1.539 -1.164) 2.463 6.890 ( 1.549 -0.188 -2.572) 3.008 8.521 ( 0.578 1.353 0.123) 1.476 8.529 ( -1.715 0.551 -0.425) 1.851 8.927 ( -0.433 3.966 1.959) 4.445 8.984 ( 1.256 -1.640 -3.377) 3.959 9.995 ( -7.244 5.499 6.429) 11.138 10.108 ( -6.614 -5.516 7.622) 11.501 10.145 ( 6.128 6.940 -7.351) 11.821 10.286 ( 4.456 -6.600 -9.092) 12.087 10.598 ( 0.469 -0.945 0.670) 1.249 10.623 ( 0.233 -3.061 -1.937) 3.630 11.874 ( 0.238 2.093 2.500) 3.269 11.886 ( -1.201 0.904 1.338) 2.012 19.503 ( -0.561 2.073 -0.070) 2.148 19.521 ( 0.155 0.278 -1.925) 1.951 19.966 ( -0.892 1.671 2.534) 3.163 19.992 ( 1.040 -0.531 0.294) 1.204 20.508 ( 0.112 3.147 -0.692) 3.224 20.551 ( -0.645 -0.771 -4.589) 4.698 21.184 ( -4.374 -1.937 5.120) 7.007 21.205 ( -1.423 -3.726 3.085) 5.042 21.612 ( 0.570 -0.563 -0.374) 0.884 21.635 ( 2.899 -3.103 -2.461) 4.908 22.705 ( 1.127 2.701 0.935) 3.073 22.736 ( 0.136 -0.323 -2.021) 2.052 ======================= Grid point 217 (121/128) ======================= q-point: ( 0.11 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -1.036 11.877 5.684) 13.208 1.728 ( 8.473 0.996 -3.155) 9.096 1.903 ( -0.490 -1.125 0.408) 1.293 2.056 ( 7.801 -9.660 -4.755) 13.296 2.290 ( -2.574 5.677 -0.414) 6.247 2.338 ( -0.869 0.804 5.178) 5.312 2.473 ( 0.745 -0.240 -2.646) 2.760 2.516 ( 2.660 -4.025 -6.010) 7.707 2.950 ( -3.401 7.748 -5.185) 9.924 3.017 ( -2.980 1.273 -0.256) 3.251 3.086 ( -1.291 7.442 1.825) 7.770 3.188 ( 2.475 -1.694 0.523) 3.044 3.440 ( -6.003 9.332 -6.865) 13.048 3.549 ( -0.698 -1.661 -5.954) 6.220 3.623 ( -3.928 6.007 -0.722) 7.214 3.730 ( 1.036 -2.174 2.266) 3.307 3.846 ( 1.261 1.901 0.958) 2.474 3.875 ( 2.952 0.833 8.770) 9.290 4.020 ( -1.939 5.259 3.448) 6.580 4.168 ( 5.717 6.275 2.415) 8.826 4.267 ( -2.080 -11.215 2.807) 11.747 4.397 ( 3.872 -8.976 -0.656) 9.798 4.582 ( 1.167 -0.130 -0.692) 1.363 4.621 ( 3.783 -4.106 -3.772) 6.738 5.020 ( -5.487 -3.550 1.156) 6.637 5.039 ( -5.462 -5.592 1.551) 7.969 5.193 ( -0.298 -0.090 -1.112) 1.155 5.225 ( 1.975 -3.058 -0.603) 3.690 5.495 ( 0.254 0.003 -0.854) 0.891 5.542 ( 2.192 -4.559 -0.261) 5.065 6.126 ( 2.542 2.198 -1.342) 3.619 6.132 ( 3.195 1.720 -2.715) 4.532 6.619 ( -4.220 2.253 -1.566) 5.034 6.649 ( -3.522 -0.806 -0.398) 3.635 6.896 ( 3.872 2.801 -2.106) 5.222 6.934 ( 5.422 -1.195 -2.585) 6.124 8.504 ( -1.168 2.578 0.463) 2.868 8.543 ( 0.787 -1.192 1.374) 1.982 8.944 ( -0.545 2.287 2.131) 3.174 8.960 ( 0.645 0.710 -3.208) 3.349 9.962 ( -6.592 6.099 7.378) 11.622 10.091 ( -6.885 -6.505 8.400) 12.660 10.174 ( 6.554 5.643 -5.335) 10.162 10.286 ( 5.551 -5.317 -4.518) 8.917 10.592 ( 0.723 1.923 -0.409) 2.094 10.671 ( 5.029 -5.651 -0.918) 7.620 11.862 ( -2.545 2.891 -0.023) 3.852 11.890 ( -1.000 0.073 1.045) 1.448 19.451 ( -4.787 2.930 0.316) 5.621 19.499 ( -2.496 -1.687 0.275) 3.025 19.984 ( 0.567 2.632 0.981) 2.865 20.016 ( 2.173 -0.535 -0.935) 2.425 20.426 ( -7.383 3.857 0.525) 8.347 20.512 ( -3.389 -4.177 1.335) 5.542 21.154 ( -3.144 4.079 3.747) 6.369 21.272 ( 2.249 -6.833 3.209) 7.877 21.614 ( 0.836 0.127 -1.249) 1.509 21.654 ( 3.520 -4.231 -3.454) 6.498 22.696 ( -1.442 3.048 -1.727) 3.788 22.731 ( 0.503 -0.434 -0.122) 0.675 ======================= Grid point 218 (122/128) ======================= q-point: ( 0.22 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 2.137 10.046 4.705) 11.297 1.834 ( 3.142 -9.048 1.220) 9.656 1.912 ( 7.691 10.778 -6.794) 14.882 2.122 ( 6.451 -9.007 -5.298) 12.281 2.256 ( 1.821 9.401 -4.295) 10.495 2.351 ( -2.942 0.649 0.881) 3.139 2.424 ( 0.225 -3.087 -7.479) 8.094 2.458 ( 3.013 -6.154 -9.378) 11.615 2.809 ( -6.049 8.005 -5.698) 11.539 2.909 ( -6.369 -1.189 -2.722) 7.027 3.039 ( -2.686 8.003 -4.490) 9.561 3.163 ( -2.273 -3.021 -5.978) 7.074 3.298 ( -5.306 10.390 -0.484) 11.676 3.435 ( -2.485 -3.797 -6.044) 7.558 3.566 ( -1.616 8.364 0.829) 8.559 3.731 ( 0.081 -7.542 0.242) 7.546 3.944 ( 2.086 4.664 4.538) 6.834 4.012 ( 1.512 0.566 7.170) 7.349 4.118 ( 4.817 5.410 7.464) 10.401 4.276 ( 2.407 -0.911 2.986) 3.942 4.309 ( 3.682 -3.201 2.041) 5.289 4.440 ( 2.509 -4.080 -0.588) 4.826 4.596 ( 0.217 -0.212 1.392) 1.425 4.640 ( 1.697 -5.249 -1.453) 5.704 4.936 ( -6.354 -2.712 1.129) 7.000 4.960 ( -3.305 -6.170 -1.140) 7.092 5.151 ( -2.015 1.645 -1.912) 3.228 5.244 ( 1.302 -7.184 -0.351) 7.309 5.496 ( 1.336 1.787 -1.591) 2.740 5.570 ( 1.822 -5.148 -0.902) 5.535 6.144 ( 2.234 2.193 -2.581) 4.057 6.152 ( 3.732 1.309 -3.870) 5.533 6.540 ( -2.875 1.999 -1.046) 3.654 6.576 ( -3.243 -1.729 -1.126) 3.844 6.920 ( 2.923 3.412 -4.327) 6.238 6.974 ( 3.894 -1.869 -4.232) 6.047 8.504 ( -0.361 3.734 1.597) 4.077 8.573 ( 0.417 -2.978 1.783) 3.496 8.933 ( -0.089 2.940 -2.006) 3.560 8.956 ( -0.469 0.711 1.061) 1.360 9.954 ( -4.443 5.589 7.237) 10.166 10.078 ( -4.814 -6.382 6.424) 10.255 10.250 ( 6.083 4.215 0.139) 7.401 10.355 ( 5.482 -5.778 0.079) 7.965 10.623 ( 3.057 4.807 0.069) 5.697 10.739 ( 4.818 -6.434 -1.828) 8.244 11.804 ( -3.429 4.590 -1.172) 5.848 11.866 ( -2.322 -1.561 -0.481) 2.839 19.370 ( -5.664 3.224 1.113) 6.612 19.443 ( -5.414 -3.790 1.482) 6.773 20.003 ( 1.967 2.532 -1.694) 3.626 20.029 ( 1.679 -0.258 -2.851) 3.319 20.330 ( -7.335 5.705 5.476) 10.786 20.470 ( -6.081 -7.818 5.872) 11.514 21.165 ( 0.030 8.431 2.057) 8.678 21.334 ( 1.198 -7.773 1.985) 8.111 21.611 ( 0.802 0.517 -1.600) 1.863 21.667 ( 3.363 -5.524 -4.234) 7.730 22.642 ( -2.241 5.464 -2.100) 6.268 22.721 ( -1.107 -2.400 -0.937) 2.803 ======================= Grid point 219 (123/128) ======================= q-point: ( 0.33 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 2.898 7.876 1.087) 8.462 1.832 ( -0.285 -1.172 -2.297) 2.595 1.987 ( 5.304 4.954 -4.216) 8.394 2.126 ( -0.809 -5.231 -2.180) 5.725 2.195 ( 1.311 6.548 -15.942) 17.284 2.239 ( 1.499 4.207 -10.478) 11.390 2.368 ( 2.161 -3.941 -7.312) 8.583 2.419 ( 5.162 -8.798 -7.831) 12.860 2.648 ( -6.681 8.470 -1.369) 10.874 2.763 ( -7.789 -0.844 -0.506) 7.850 2.958 ( -2.683 3.563 -1.346) 4.659 3.044 ( -1.367 -1.761 -6.625) 6.990 3.217 ( -4.289 8.014 0.327) 9.095 3.335 ( -1.872 -3.847 -4.273) 6.047 3.586 ( 0.149 10.065 3.980) 10.824 3.759 ( 0.597 -6.926 1.782) 7.176 3.998 ( 0.367 3.606 3.248) 4.866 4.100 ( 0.827 -3.082 3.818) 4.976 4.276 ( 2.951 4.255 6.778) 8.529 4.327 ( 0.891 0.813 1.241) 1.731 4.381 ( 4.518 -1.548 -2.219) 5.267 4.469 ( 0.699 -3.408 0.457) 3.509 4.613 ( -5.387 -1.509 2.574) 6.158 4.632 ( 0.360 -1.579 2.777) 3.215 4.853 ( -4.517 -0.962 0.815) 4.690 4.915 ( 1.401 -8.232 -4.717) 9.590 5.124 ( 1.399 3.441 0.325) 3.729 5.277 ( 2.417 -10.194 1.521) 10.586 5.486 ( -0.115 2.969 -2.491) 3.877 5.572 ( -0.143 -5.021 -1.537) 5.253 6.142 ( 1.529 2.507 -2.771) 4.037 6.161 ( 2.892 0.458 -3.949) 4.916 6.507 ( -0.285 1.143 -0.522) 1.289 6.532 ( -0.950 -1.571 -0.394) 1.878 6.891 ( 1.319 4.210 -5.994) 7.442 6.962 ( 1.673 -2.622 -5.521) 6.337 8.524 ( -0.042 3.547 2.208) 4.178 8.592 ( -0.211 -3.012 1.067) 3.202 8.914 ( -0.355 3.546 -0.464) 3.594 8.953 ( -0.325 -0.135 -0.327) 0.481 9.991 ( -1.677 4.084 7.644) 8.828 10.089 ( -2.970 -5.499 6.297) 8.872 10.361 ( 5.047 3.228 2.342) 6.433 10.451 ( 4.859 -5.620 1.066) 7.505 10.684 ( 3.433 4.702 0.691) 5.863 10.783 ( 3.412 -5.047 -2.336) 6.525 11.729 ( -3.411 5.205 -1.516) 6.405 11.805 ( -3.247 -2.367 -1.852) 4.424 19.302 ( -4.074 2.144 1.573) 4.865 19.366 ( -5.802 -4.082 1.880) 7.339 19.999 ( 0.043 0.768 -3.856) 3.932 20.001 ( 1.302 0.708 -3.331) 3.646 20.331 ( -3.315 5.702 9.312) 11.412 20.463 ( -4.556 -7.262 7.836) 11.615 21.192 ( 1.034 9.117 0.878) 9.218 21.352 ( -0.526 -6.417 0.075) 6.439 21.604 ( 0.487 0.274 -1.303) 1.418 21.663 ( 2.446 -5.982 -4.620) 7.944 22.581 ( -1.933 6.165 -1.870) 6.726 22.673 ( -2.251 -2.943 -2.248) 4.334 ======================= Grid point 220 (124/128) ======================= q-point: ( 0.44 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -1.537 10.877 -2.261) 11.215 1.833 ( 3.700 1.938 -2.928) 5.101 1.954 ( 1.126 5.656 -9.924) 11.478 1.999 ( -4.965 1.422 -4.154) 6.628 2.033 ( -4.613 -5.234 -3.956) 8.020 2.142 ( 0.950 -5.872 -12.871) 14.179 2.358 ( 2.733 4.453 -2.451) 5.771 2.412 ( 2.710 -0.734 -5.721) 6.373 2.591 ( -0.111 2.068 0.553) 2.144 2.651 ( -4.551 -1.942 -0.088) 4.949 2.922 ( -1.255 4.827 1.038) 5.094 2.987 ( 1.919 0.836 -4.268) 4.754 3.181 ( -1.969 3.002 2.408) 4.323 3.276 ( -0.329 -4.720 -3.335) 5.788 3.650 ( 0.630 7.608 5.317) 9.303 3.765 ( -1.460 -3.082 0.389) 3.432 4.052 ( 1.889 2.882 2.772) 4.422 4.124 ( -1.117 -1.457 0.471) 1.895 4.307 ( -5.443 3.269 6.081) 8.792 4.398 ( 3.126 -0.740 0.619) 3.271 4.415 ( -1.749 -5.292 1.806) 5.859 4.451 ( -0.201 -5.760 0.592) 5.794 4.568 ( -0.321 3.994 -0.434) 4.030 4.641 ( -0.480 -2.325 -2.114) 3.179 4.814 ( -1.439 -0.084 1.216) 1.886 4.888 ( 2.767 -7.364 -5.461) 9.576 5.210 ( 4.688 3.827 3.937) 7.220 5.361 ( 3.789 -9.768 3.336) 10.995 5.427 ( -2.661 3.796 -3.669) 5.912 5.526 ( -2.532 -5.666 -2.375) 6.645 6.133 ( 0.215 2.580 -1.309) 2.901 6.155 ( 1.174 0.198 -2.835) 3.075 6.508 ( 0.957 0.402 -0.704) 1.254 6.527 ( 0.722 -1.517 -0.843) 1.880 6.847 ( 1.326 4.273 -4.102) 6.069 6.909 ( 0.242 -1.676 -5.771) 6.014 8.549 ( -0.262 2.486 2.312) 3.405 8.592 ( -0.476 -1.641 0.109) 1.712 8.909 ( -0.596 2.587 0.775) 2.766 8.942 ( 0.209 -0.494 -1.191) 1.306 10.067 ( 0.051 1.613 6.848) 7.036 10.118 ( -2.053 -3.437 5.149) 6.522 10.455 ( 2.789 2.100 2.012) 4.029 10.520 ( 2.857 -4.422 -0.960) 5.352 10.742 ( 2.009 2.861 1.050) 3.650 10.798 ( 2.073 -2.722 -2.548) 4.266 11.671 ( -1.913 3.877 -0.179) 4.327 11.726 ( -3.004 -1.613 -2.143) 4.027 19.281 ( -0.528 0.246 1.385) 1.502 19.308 ( -3.209 -2.474 1.362) 4.275 19.954 ( -1.654 1.300 -1.036) 2.345 19.979 ( 0.709 -1.003 -3.181) 3.410 20.414 ( 0.089 3.718 8.287) 9.083 20.491 ( -1.925 -3.809 5.332) 6.830 21.221 ( 1.030 6.465 1.281) 6.671 21.318 ( -2.294 -3.010 -1.654) 4.131 21.598 ( 0.055 -0.427 -0.518) 0.674 21.643 ( 1.423 -5.048 -4.070) 6.639 22.548 ( 0.130 4.188 -0.833) 4.272 22.606 ( -1.741 -1.573 -2.895) 3.726 ======================= Grid point 221 (125/128) ======================= q-point: (-0.44 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -4.920 13.355 4.867) 15.042 1.776 ( 0.632 8.020 -6.887) 10.590 1.897 ( -3.364 3.844 -2.930) 5.889 1.948 ( 3.531 -4.447 0.305) 5.687 1.988 ( 0.465 -2.828 1.232) 3.119 2.056 ( 3.441 -8.240 -3.744) 9.682 2.286 ( -10.124 2.677 2.847) 10.852 2.351 ( -7.940 -2.010 1.263) 8.287 2.609 ( 4.875 5.378 -2.214) 7.589 2.699 ( 10.059 -0.793 -3.750) 10.764 2.928 ( -0.405 5.255 1.336) 5.437 2.983 ( 2.987 2.544 -3.948) 5.566 3.197 ( -1.196 -0.913 3.822) 4.107 3.239 ( 0.447 -4.055 -2.422) 4.744 3.699 ( -3.198 5.600 2.750) 7.011 3.747 ( 1.389 0.778 0.431) 1.649 4.081 ( -3.255 1.354 -0.014) 3.526 4.117 ( 2.558 -0.439 1.082) 2.812 4.299 ( -5.439 -1.364 7.628) 9.467 4.322 ( -7.870 -5.936 3.230) 10.374 4.448 ( 0.748 -0.082 0.568) 0.943 4.510 ( 1.887 -5.155 -0.799) 5.547 4.572 ( 2.118 3.479 -1.680) 4.406 4.613 ( 3.693 -1.227 -2.319) 4.530 4.827 ( 1.233 -0.695 0.529) 1.511 4.884 ( 4.430 -6.023 -5.118) 9.060 5.308 ( -4.093 4.043 -4.064) 7.043 5.332 ( 2.529 3.506 3.268) 5.419 5.439 ( -3.861 -6.877 -3.025) 8.448 5.462 ( 2.542 -7.456 3.752) 8.726 6.115 ( -1.821 2.386 0.613) 3.064 6.134 ( -0.748 0.494 -1.300) 1.579 6.507 ( -0.139 0.610 -0.616) 0.878 6.536 ( 2.490 -2.162 -2.124) 3.922 6.849 ( 0.379 1.647 -3.493) 3.881 6.851 ( 1.929 1.536 -1.097) 2.699 8.567 ( -0.836 1.402 2.062) 2.629 8.583 ( -0.175 -0.158 -0.459) 0.516 8.911 ( -0.631 1.907 1.356) 2.424 8.936 ( 0.826 -0.495 -1.289) 1.609 10.125 ( -1.598 -0.233 2.682) 3.131 10.139 ( 0.256 -1.692 2.744) 3.234 10.487 ( -1.260 0.305 0.713) 1.479 10.512 ( -0.720 -2.426 -3.139) 4.032 10.764 ( -0.222 1.613 0.036) 1.628 10.799 ( 1.938 -1.794 -2.956) 3.964 11.667 ( -0.908 1.659 1.391) 2.348 11.679 ( 0.159 0.500 0.823) 0.975 19.299 ( 1.125 0.124 0.012) 1.132 19.318 ( 3.533 -1.710 0.553) 3.964 19.924 ( -2.365 1.134 1.643) 3.095 19.954 ( -0.526 -1.753 -1.203) 2.190 20.494 ( -0.092 1.911 2.527) 3.170 20.525 ( 2.672 -0.978 1.387) 3.166 21.250 ( -3.290 2.095 -1.496) 4.178 21.260 ( 0.456 0.933 3.295) 3.455 21.595 ( -0.409 -1.186 0.488) 1.346 21.621 ( 0.891 -3.831 -2.798) 4.827 22.558 ( 0.276 1.869 -1.310) 2.299 22.574 ( 2.659 0.384 -0.468) 2.727 ======================= Grid point 222 (126/128) ======================= q-point: (-0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -3.105 11.619 6.724) 13.778 1.783 ( -0.107 3.089 5.054) 5.924 1.835 ( -4.140 9.474 2.607) 10.663 1.985 ( -1.638 0.653 3.809) 4.197 2.055 ( -1.970 -4.884 2.383) 5.781 2.120 ( 4.645 -3.740 1.289) 6.101 2.207 ( 0.279 -3.590 6.912) 7.793 2.245 ( -8.947 -6.993 7.467) 13.591 2.674 ( 5.561 11.189 -2.848) 12.815 2.791 ( 4.376 5.049 -2.675) 7.197 2.950 ( 2.694 -1.482 0.155) 3.079 2.994 ( 3.087 1.181 -2.298) 4.026 3.225 ( 2.509 2.134 0.788) 3.387 3.262 ( 2.205 -4.349 2.470) 5.466 3.642 ( -3.941 11.103 -0.136) 11.783 3.778 ( 0.255 -2.960 -0.121) 2.973 4.035 ( -2.230 1.564 0.055) 2.724 4.152 ( 1.671 -5.574 -1.669) 6.054 4.254 ( -5.916 -2.296 4.922) 8.031 4.298 ( -4.673 -2.919 6.285) 8.358 4.419 ( -1.879 1.963 -4.313) 5.098 4.475 ( -2.333 -2.477 -0.184) 3.408 4.630 ( 4.321 2.337 -0.686) 4.960 4.689 ( 5.122 -4.070 -1.206) 6.652 4.857 ( 2.247 -0.924 -0.174) 2.435 4.909 ( 4.514 -5.487 -3.522) 7.931 5.174 ( -3.517 4.563 -4.536) 7.333 5.323 ( -3.913 -9.209 -2.795) 10.389 5.419 ( 0.134 3.672 3.989) 5.423 5.523 ( -0.194 -6.178 3.090) 6.910 6.092 ( -2.626 2.400 2.076) 4.119 6.108 ( -1.249 0.904 0.214) 1.557 6.504 ( 0.930 1.316 -0.455) 1.674 6.549 ( 2.048 -3.136 -2.122) 4.305 6.829 ( 0.820 4.470 -0.564) 4.580 6.893 ( 1.816 -1.621 1.182) 2.706 8.560 ( -0.706 2.036 -0.606) 2.238 8.585 ( -0.546 -0.421 1.297) 1.469 8.918 ( 0.161 2.187 0.121) 2.196 8.942 ( 1.206 -0.158 -0.056) 1.217 10.105 ( -0.602 2.024 -1.860) 2.814 10.156 ( -0.455 -2.689 -0.297) 2.744 10.419 ( -4.211 -0.500 -3.142) 5.278 10.450 ( -4.785 -3.326 0.400) 5.841 10.737 ( -0.468 2.076 -3.659) 4.233 10.785 ( 0.181 -2.498 -2.675) 3.664 11.684 ( 0.964 4.110 2.628) 4.973 11.737 ( 1.782 -1.212 4.251) 4.766 19.342 ( 5.080 2.642 -1.752) 5.988 19.401 ( 6.255 -3.068 -0.800) 7.013 19.916 ( -2.291 0.612 3.603) 4.314 19.937 ( -1.687 -1.470 1.652) 2.782 20.489 ( 1.899 5.030 -4.472) 6.993 20.584 ( 4.148 -4.491 -2.239) 6.511 21.188 ( -3.301 6.685 0.614) 7.481 21.305 ( -1.093 -5.051 4.527) 6.870 21.595 ( -0.805 -1.739 1.177) 2.248 21.609 ( 0.704 -2.952 -1.451) 3.364 22.565 ( 2.204 4.988 -0.503) 5.476 22.639 ( 4.085 -2.243 0.791) 4.727 ======================= Grid point 223 (127/128) ======================= q-point: (-0.22 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -1.722 10.087 1.190) 10.301 1.764 ( -10.138 12.056 6.017) 16.862 1.839 ( 1.892 -2.837 2.455) 4.202 1.967 ( -8.268 2.665 8.980) 12.494 2.059 ( -2.740 -5.248 7.786) 9.781 2.194 ( -0.816 -8.740 8.943) 12.532 2.329 ( 4.788 -1.678 6.626) 8.346 2.359 ( 5.909 -3.994 4.560) 8.466 2.727 ( 3.583 14.842 0.847) 15.292 2.820 ( 0.840 7.444 2.700) 7.963 2.995 ( 2.305 -2.399 -0.180) 3.332 3.049 ( 3.642 -2.635 2.878) 5.338 3.309 ( 5.742 5.097 0.407) 7.689 3.357 ( 4.882 -2.008 2.327) 5.769 3.587 ( -1.759 11.248 -0.305) 11.389 3.748 ( -2.241 -5.673 -1.145) 6.207 4.001 ( -1.658 3.212 -1.055) 3.765 4.128 ( -0.339 -5.082 -4.403) 6.733 4.218 ( -4.201 1.990 0.897) 4.734 4.284 ( -3.499 1.802 1.067) 4.078 4.337 ( -1.813 -3.595 -1.355) 4.248 4.424 ( -3.653 -4.568 -0.030) 5.849 4.651 ( -0.125 0.055 -2.297) 2.301 4.667 ( -2.831 -2.922 -4.809) 6.299 4.923 ( 5.036 -1.655 1.269) 5.451 4.968 ( 6.029 -5.332 -0.519) 8.066 5.132 ( 1.699 2.528 -0.824) 3.155 5.246 ( -2.645 -8.438 -0.832) 8.882 5.448 ( -1.516 2.548 3.308) 4.442 5.530 ( -2.827 -5.082 2.837) 6.471 6.083 ( -1.662 2.916 2.336) 4.089 6.104 ( -0.115 0.894 0.842) 1.234 6.531 ( 2.550 1.283 0.016) 2.855 6.566 ( 2.447 -2.244 -0.505) 3.358 6.853 ( 0.776 4.291 1.541) 4.624 6.924 ( 0.271 -2.482 0.827) 2.630 8.538 ( -0.330 3.148 -1.406) 3.463 8.585 ( -1.218 -1.286 0.899) 1.986 8.916 ( 0.103 3.867 -0.504) 3.901 8.972 ( 2.141 -1.412 -0.287) 2.581 10.077 ( 1.825 3.491 -4.216) 5.770 10.123 ( -3.305 -0.144 0.565) 3.356 10.302 ( -5.248 -0.728 -3.058) 6.118 10.375 ( -3.580 -6.915 -0.523) 7.805 10.670 ( -1.189 3.378 -4.940) 6.101 10.742 ( -1.570 -3.642 -2.648) 4.769 11.750 ( 1.890 4.973 3.926) 6.611 11.816 ( 1.367 -1.648 4.180) 4.697 19.413 ( 6.470 4.039 -2.875) 8.151 19.487 ( 5.776 -3.089 -2.141) 6.891 19.930 ( -1.285 0.271 3.440) 3.682 19.943 ( -2.052 -0.772 4.784) 5.262 20.471 ( 4.183 6.880 -6.512) 10.355 20.608 ( 4.594 -6.639 -5.699) 9.882 21.155 ( -2.957 7.623 2.558) 8.567 21.315 ( -4.087 -8.554 4.130) 10.340 21.596 ( -0.260 -1.388 0.689) 1.571 21.611 ( 0.584 -2.692 -0.245) 2.765 22.611 ( 2.916 6.273 0.656) 6.949 22.709 ( 3.348 -3.391 0.124) 4.767 ======================= Grid point 224 (128/128) ======================= q-point: (-0.11 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -9.077 13.485 3.919) 16.721 1.712 ( -0.075 6.506 -4.566) 7.949 1.910 ( 3.783 -6.939 0.669) 7.931 1.921 ( -7.282 -6.732 8.261) 12.907 2.157 ( -1.267 5.751 11.989) 13.357 2.307 ( -2.231 -7.270 11.871) 14.098 2.417 ( 2.703 2.177 -0.987) 3.608 2.469 ( 5.393 -3.759 -2.033) 6.881 2.832 ( 3.465 11.423 5.229) 13.032 2.912 ( 1.374 6.408 9.156) 11.260 3.046 ( 2.732 3.734 3.024) 5.527 3.171 ( 3.561 -4.252 4.807) 7.340 3.364 ( 0.883 7.451 -0.042) 7.503 3.437 ( 1.617 -0.855 2.204) 2.864 3.615 ( 5.122 5.367 0.308) 7.426 3.718 ( -0.454 -4.438 1.299) 4.647 3.927 ( -4.165 6.390 -4.295) 8.753 4.040 ( -2.927 1.696 -6.491) 7.320 4.125 ( -1.233 7.703 -5.879) 9.769 4.210 ( -5.159 -1.347 -0.696) 5.377 4.319 ( 0.500 -8.572 -1.840) 8.782 4.366 ( -5.299 -9.302 2.398) 10.971 4.576 ( -2.211 -1.360 -0.926) 2.756 4.611 ( 0.050 -3.272 -2.503) 4.120 5.021 ( 4.835 -1.763 0.471) 5.168 5.068 ( 5.422 -5.312 -0.464) 7.605 5.163 ( 0.707 -0.169 1.326) 1.512 5.203 ( -2.870 -4.316 1.114) 5.302 5.464 ( -0.038 0.413 2.314) 2.351 5.515 ( -2.375 -4.171 2.427) 5.378 6.088 ( -0.313 3.342 1.149) 3.548 6.113 ( 0.502 0.812 -0.178) 0.971 6.588 ( 3.553 2.067 1.151) 4.268 6.626 ( 3.472 -1.894 1.685) 4.299 6.872 ( -0.034 3.008 0.311) 3.025 6.917 ( -1.044 -1.206 -0.772) 1.773 8.521 ( 0.151 3.071 -1.129) 3.276 8.564 ( -1.765 -1.055 -0.163) 2.062 8.916 ( -0.253 4.808 0.788) 4.878 8.992 ( 1.993 -2.628 -2.311) 4.028 10.047 ( -4.255 3.757 1.451) 5.858 10.099 ( 0.734 2.405 0.306) 2.533 10.190 ( -4.238 0.332 -1.934) 4.670 10.325 ( 1.949 -9.050 -6.173) 11.127 10.603 ( -0.929 2.924 -2.362) 3.872 10.677 ( -2.515 -4.162 -2.180) 5.329 11.824 ( 1.415 3.953 3.599) 5.530 11.871 ( 0.129 -0.744 2.886) 2.983 19.477 ( 4.577 3.622 -2.227) 6.247 19.530 ( 2.515 -1.511 -2.322) 3.742 19.950 ( -1.176 0.954 3.288) 3.620 19.971 ( -0.699 -0.721 3.139) 3.296 20.483 ( 5.031 6.401 -4.558) 9.330 20.602 ( 2.758 -4.784 -6.113) 8.238 21.153 ( -1.564 3.647 3.672) 5.406 21.268 ( -7.067 -7.853 3.979) 11.289 21.604 ( 0.406 -1.026 0.334) 1.153 21.620 ( 1.473 -2.645 -1.076) 3.214 22.665 ( 2.254 5.120 0.996) 5.682 22.743 ( 1.495 -2.608 -1.154) 3.220 =================== 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 3/26460 10.0 225.728 272.130 368.545 0.000 29.679 0.000 3/26460 20.0 50.364 76.408 73.800 0.000 6.519 0.000 3/26460 30.0 22.459 35.942 34.010 0.000 2.820 0.000 3/26460 40.0 13.264 21.389 20.258 0.000 1.619 0.000 3/26460 50.0 9.094 14.694 13.892 0.000 1.085 0.000 3/26460 60.0 6.831 11.057 10.415 0.000 0.800 0.000 3/26460 70.0 5.447 8.830 8.286 0.000 0.627 0.000 3/26460 80.0 4.525 7.344 6.870 0.000 0.512 0.000 3/26460 90.0 3.872 6.288 5.869 0.000 0.430 0.000 3/26460 100.0 3.386 5.501 5.126 0.000 0.370 0.000 3/26460 110.0 3.013 4.893 4.555 0.000 0.323 0.000 3/26460 120.0 2.716 4.409 4.104 0.000 0.286 0.000 3/26460 130.0 2.476 4.016 3.737 0.000 0.256 0.000 3/26460 140.0 2.278 3.690 3.435 0.000 0.231 0.000 3/26460 150.0 2.111 3.416 3.180 0.000 0.210 0.000 3/26460 160.0 1.969 3.182 2.964 0.000 0.192 0.000 3/26460 170.0 1.846 2.979 2.777 0.000 0.177 0.000 3/26460 180.0 1.740 2.803 2.614 0.000 0.164 0.000 3/26460 190.0 1.646 2.648 2.470 0.000 0.152 0.000 3/26460 200.0 1.563 2.510 2.343 0.000 0.142 0.000 3/26460 210.0 1.489 2.387 2.229 0.000 0.133 0.000 3/26460 220.0 1.423 2.277 2.127 0.000 0.124 0.000 3/26460 230.0 1.363 2.177 2.034 0.000 0.117 0.000 3/26460 240.0 1.308 2.086 1.950 0.000 0.110 0.000 3/26460 250.0 1.258 2.002 1.873 0.000 0.105 0.000 3/26460 260.0 1.211 1.926 1.802 0.000 0.099 0.000 3/26460 270.0 1.169 1.856 1.737 0.000 0.094 0.000 3/26460 280.0 1.130 1.791 1.677 0.000 0.090 0.000 3/26460 290.0 1.093 1.730 1.621 0.000 0.085 0.000 3/26460 300.0 1.059 1.674 1.568 0.000 0.082 0.000 3/26460 310.0 1.027 1.621 1.519 0.000 0.078 0.000 3/26460 320.0 0.997 1.572 1.474 0.000 0.075 0.000 3/26460 330.0 0.969 1.526 1.431 0.000 0.072 0.000 3/26460 340.0 0.942 1.482 1.390 0.000 0.069 0.000 3/26460 350.0 0.917 1.441 1.352 0.000 0.066 0.000 3/26460 360.0 0.893 1.403 1.316 0.000 0.064 0.000 3/26460 370.0 0.871 1.366 1.282 0.000 0.062 0.000 3/26460 380.0 0.850 1.331 1.249 0.000 0.060 0.000 3/26460 390.0 0.829 1.298 1.219 0.000 0.058 0.000 3/26460 400.0 0.810 1.267 1.189 0.000 0.056 0.000 3/26460 410.0 0.791 1.237 1.161 0.000 0.054 0.000 3/26460 420.0 0.774 1.209 1.135 0.000 0.052 0.000 3/26460 430.0 0.757 1.182 1.110 0.000 0.051 0.000 3/26460 440.0 0.741 1.156 1.085 0.000 0.049 0.000 3/26460 450.0 0.725 1.131 1.062 0.000 0.048 0.000 3/26460 460.0 0.711 1.107 1.040 0.000 0.047 0.000 3/26460 470.0 0.696 1.085 1.019 0.000 0.045 0.000 3/26460 480.0 0.683 1.063 0.998 0.000 0.044 0.000 3/26460 490.0 0.670 1.042 0.979 0.000 0.043 0.000 3/26460 500.0 0.657 1.022 0.960 0.000 0.042 0.000 3/26460 510.0 0.645 1.002 0.942 0.000 0.041 0.000 3/26460 520.0 0.633 0.984 0.924 0.000 0.040 0.000 3/26460 530.0 0.622 0.966 0.907 0.000 0.039 0.000 3/26460 540.0 0.611 0.948 0.891 0.000 0.038 0.000 3/26460 550.0 0.600 0.931 0.875 0.000 0.038 0.000 3/26460 560.0 0.590 0.915 0.860 0.000 0.037 0.000 3/26460 570.0 0.580 0.900 0.846 0.000 0.036 0.000 3/26460 580.0 0.571 0.885 0.831 0.000 0.035 0.000 3/26460 590.0 0.562 0.870 0.818 0.000 0.035 0.000 3/26460 600.0 0.553 0.856 0.805 0.000 0.034 0.000 3/26460 610.0 0.544 0.842 0.792 0.000 0.033 0.000 3/26460 620.0 0.536 0.829 0.779 0.000 0.033 0.000 3/26460 630.0 0.528 0.816 0.767 0.000 0.032 0.000 3/26460 640.0 0.520 0.804 0.756 0.000 0.031 0.000 3/26460 650.0 0.512 0.792 0.744 0.000 0.031 0.000 3/26460 660.0 0.505 0.780 0.733 0.000 0.030 0.000 3/26460 670.0 0.497 0.769 0.723 0.000 0.030 0.000 3/26460 680.0 0.490 0.758 0.712 0.000 0.029 0.000 3/26460 690.0 0.484 0.747 0.702 0.000 0.029 0.000 3/26460 700.0 0.477 0.737 0.692 0.000 0.028 0.000 3/26460 710.0 0.470 0.726 0.683 0.000 0.028 0.000 3/26460 720.0 0.464 0.717 0.674 0.000 0.027 0.000 3/26460 730.0 0.458 0.707 0.665 0.000 0.027 0.000 3/26460 740.0 0.452 0.698 0.656 0.000 0.027 0.000 3/26460 750.0 0.446 0.689 0.647 0.000 0.026 0.000 3/26460 760.0 0.441 0.680 0.639 0.000 0.026 0.000 3/26460 770.0 0.435 0.671 0.631 0.000 0.025 0.000 3/26460 780.0 0.430 0.663 0.623 0.000 0.025 0.000 3/26460 790.0 0.424 0.654 0.615 0.000 0.025 0.000 3/26460 800.0 0.419 0.646 0.608 0.000 0.024 0.000 3/26460 810.0 0.414 0.639 0.600 0.000 0.024 0.000 3/26460 820.0 0.409 0.631 0.593 0.000 0.024 0.000 3/26460 830.0 0.404 0.623 0.586 0.000 0.023 0.000 3/26460 840.0 0.400 0.616 0.579 0.000 0.023 0.000 3/26460 850.0 0.395 0.609 0.573 0.000 0.023 0.000 3/26460 860.0 0.391 0.602 0.566 0.000 0.022 0.000 3/26460 870.0 0.386 0.595 0.560 0.000 0.022 0.000 3/26460 880.0 0.382 0.589 0.553 0.000 0.022 0.000 3/26460 890.0 0.378 0.582 0.547 0.000 0.022 0.000 3/26460 900.0 0.374 0.576 0.541 0.000 0.021 0.000 3/26460 910.0 0.370 0.569 0.536 0.000 0.021 0.000 3/26460 920.0 0.366 0.563 0.530 0.000 0.021 0.000 3/26460 930.0 0.362 0.557 0.524 0.000 0.021 0.000 3/26460 940.0 0.358 0.552 0.519 0.000 0.020 0.000 3/26460 950.0 0.355 0.546 0.513 0.000 0.020 0.000 3/26460 960.0 0.351 0.540 0.508 0.000 0.020 0.000 3/26460 970.0 0.348 0.535 0.503 0.000 0.020 0.000 3/26460 980.0 0.344 0.529 0.498 0.000 0.019 0.000 3/26460 990.0 0.341 0.524 0.493 0.000 0.019 0.000 3/26460 1000.0 0.337 0.519 0.488 0.000 0.019 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m977.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:33:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|