----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:36:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.508579810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.387698820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.437632250000000 Atomic positions (fractional): *1 B 0.04661998036972 0.24280130158950 0.50000000000000 10.811 2 B 0.45338001963028 0.74280130158950 0.00000000000000 10.811 3 B 0.95338001963028 0.75719869841050 0.50000000000000 10.811 4 B 0.54661998036972 0.25719869841050 0.00000000000000 10.811 *5 O 0.29768378898706 0.79576575678076 0.13933641804430 15.999 6 O 0.79768378898706 0.70423424321924 0.36066358195569 15.999 7 O 0.29768378898706 0.79576575678076 0.86066358195570 15.999 8 O 0.70231621101294 0.20423424321924 0.86066358195570 15.999 9 O 0.79768378898706 0.70423424321924 0.63933641804430 15.999 10 O 0.20231621101294 0.29576575678076 0.63933641804430 15.999 *11 O 0.25051182831842 0.32338440508642 0.00000000000000 15.999 12 O 0.75051182831842 0.17661559491358 0.50000000000000 15.999 13 O 0.24948817168158 0.82338440508642 0.50000000000000 15.999 14 O 0.74948817168158 0.67661559491358 0.00000000000000 15.999 15 O 0.70231621101294 0.20423424321924 0.13933641804430 15.999 16 O 0.20231621101294 0.29576575678076 0.36066358195569 15.999 *17 Mg 0.00000000000000 0.50000000000000 0.81320711917466 24.305 18 Mg 0.50000000000000 0.00000000000000 0.68679288082534 24.305 19 Mg 0.00000000000000 0.50000000000000 0.18679288082534 24.305 20 Mg 0.50000000000000 0.00000000000000 0.31320711917466 24.305 *21 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 22 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.508579810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.387698820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.437632250000000 Atomic positions (fractional): *1 B 0.04661998036972 0.24280130158950 0.50000000000000 10.811 > 1 2 B 0.45338001963028 0.74280130158950 0.00000000000000 10.811 > 2 3 B 0.95338001963028 0.75719869841050 0.50000000000000 10.811 > 3 4 B 0.54661998036972 0.25719869841050 0.00000000000000 10.811 > 4 *5 O 0.29768378898706 0.79576575678076 0.13933641804430 15.999 > 5 6 O 0.79768378898706 0.70423424321924 0.36066358195569 15.999 > 6 7 O 0.29768378898706 0.79576575678076 0.86066358195570 15.999 > 7 8 O 0.70231621101294 0.20423424321924 0.86066358195570 15.999 > 8 9 O 0.79768378898706 0.70423424321924 0.63933641804430 15.999 > 9 10 O 0.20231621101294 0.29576575678076 0.63933641804430 15.999 > 10 *11 O 0.25051182831842 0.32338440508642 0.00000000000000 15.999 > 11 12 O 0.75051182831842 0.17661559491358 0.50000000000000 15.999 > 12 13 O 0.24948817168158 0.82338440508642 0.50000000000000 15.999 > 13 14 O 0.74948817168158 0.67661559491358 0.00000000000000 15.999 > 14 15 O 0.70231621101294 0.20423424321924 0.13933641804430 15.999 > 15 16 O 0.20231621101294 0.29576575678076 0.36066358195569 15.999 > 16 *17 Mg 0.00000000000000 0.50000000000000 0.81320711917466 24.305 > 17 18 Mg 0.50000000000000 0.00000000000000 0.68679288082534 24.305 > 18 19 Mg 0.00000000000000 0.50000000000000 0.18679288082534 24.305 > 19 20 Mg 0.50000000000000 0.00000000000000 0.31320711917466 24.305 > 20 *21 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 21 22 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.017159619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.775397640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.437632250000000 Atomic positions (fractional): *1 B 0.02330999018486 0.12140065079475 0.50000000000000 10.811 > 1 2 B 0.52330999018486 0.12140065079475 0.50000000000000 10.811 > 1 3 B 0.02330999018486 0.62140065079475 0.50000000000000 10.811 > 1 4 B 0.52330999018486 0.62140065079475 0.50000000000000 10.811 > 1 5 B 0.22669000981514 0.37140065079475 0.00000000000000 10.811 > 2 6 B 0.72669000981514 0.37140065079475 0.00000000000000 10.811 > 2 7 B 0.22669000981514 0.87140065079475 0.00000000000000 10.811 > 2 8 B 0.72669000981514 0.87140065079475 0.00000000000000 10.811 > 2 9 B 0.47669000981514 0.37859934920525 0.50000000000000 10.811 > 3 10 B 0.97669000981514 0.37859934920525 0.50000000000000 10.811 > 3 11 B 0.47669000981514 0.87859934920525 0.50000000000000 10.811 > 3 12 B 0.97669000981514 0.87859934920525 0.50000000000000 10.811 > 3 13 B 0.27330999018486 0.12859934920525 0.00000000000000 10.811 > 4 14 B 0.77330999018486 0.12859934920525 0.00000000000000 10.811 > 4 15 B 0.27330999018486 0.62859934920525 0.00000000000000 10.811 > 4 16 B 0.77330999018486 0.62859934920525 0.00000000000000 10.811 > 4 *17 O 0.14884189449353 0.39788287839038 0.13933641804430 15.999 > 5 18 O 0.64884189449353 0.39788287839038 0.13933641804430 15.999 > 5 19 O 0.14884189449353 0.89788287839038 0.13933641804430 15.999 > 5 20 O 0.64884189449353 0.89788287839038 0.13933641804430 15.999 > 5 21 O 0.39884189449353 0.35211712160962 0.36066358195569 15.999 > 6 22 O 0.89884189449353 0.35211712160962 0.36066358195569 15.999 > 6 23 O 0.39884189449353 0.85211712160962 0.36066358195569 15.999 > 6 24 O 0.89884189449353 0.85211712160962 0.36066358195569 15.999 > 6 25 O 0.14884189449353 0.39788287839038 0.86066358195570 15.999 > 7 26 O 0.64884189449353 0.39788287839038 0.86066358195570 15.999 > 7 27 O 0.14884189449353 0.89788287839038 0.86066358195570 15.999 > 7 28 O 0.64884189449353 0.89788287839038 0.86066358195570 15.999 > 7 29 O 0.35115810550647 0.10211712160962 0.86066358195570 15.999 > 8 30 O 0.85115810550647 0.10211712160962 0.86066358195570 15.999 > 8 31 O 0.35115810550647 0.60211712160962 0.86066358195570 15.999 > 8 32 O 0.85115810550647 0.60211712160962 0.86066358195570 15.999 > 8 33 O 0.39884189449353 0.35211712160962 0.63933641804430 15.999 > 9 34 O 0.89884189449353 0.35211712160962 0.63933641804430 15.999 > 9 35 O 0.39884189449353 0.85211712160962 0.63933641804430 15.999 > 9 36 O 0.89884189449353 0.85211712160962 0.63933641804430 15.999 > 9 37 O 0.10115810550647 0.14788287839038 0.63933641804430 15.999 > 10 38 O 0.60115810550647 0.14788287839038 0.63933641804430 15.999 > 10 39 O 0.10115810550647 0.64788287839038 0.63933641804430 15.999 > 10 40 O 0.60115810550647 0.64788287839038 0.63933641804430 15.999 > 10 *41 O 0.12525591415921 0.16169220254321 0.00000000000000 15.999 > 11 42 O 0.62525591415921 0.16169220254321 0.00000000000000 15.999 > 11 43 O 0.12525591415921 0.66169220254321 0.00000000000000 15.999 > 11 44 O 0.62525591415921 0.66169220254321 0.00000000000000 15.999 > 11 45 O 0.37525591415921 0.08830779745679 0.50000000000000 15.999 > 12 46 O 0.87525591415921 0.08830779745679 0.50000000000000 15.999 > 12 47 O 0.37525591415921 0.58830779745679 0.50000000000000 15.999 > 12 48 O 0.87525591415921 0.58830779745679 0.50000000000000 15.999 > 12 49 O 0.12474408584079 0.41169220254321 0.50000000000000 15.999 > 13 50 O 0.62474408584079 0.41169220254321 0.50000000000000 15.999 > 13 51 O 0.12474408584079 0.91169220254321 0.50000000000000 15.999 > 13 52 O 0.62474408584079 0.91169220254321 0.50000000000000 15.999 > 13 53 O 0.37474408584079 0.33830779745679 0.00000000000000 15.999 > 14 54 O 0.87474408584079 0.33830779745679 0.00000000000000 15.999 > 14 55 O 0.37474408584079 0.83830779745679 0.00000000000000 15.999 > 14 56 O 0.87474408584079 0.83830779745679 0.00000000000000 15.999 > 14 57 O 0.35115810550647 0.10211712160962 0.13933641804430 15.999 > 15 58 O 0.85115810550647 0.10211712160962 0.13933641804430 15.999 > 15 59 O 0.35115810550647 0.60211712160962 0.13933641804430 15.999 > 15 60 O 0.85115810550647 0.60211712160962 0.13933641804430 15.999 > 15 61 O 0.10115810550647 0.14788287839038 0.36066358195569 15.999 > 16 62 O 0.60115810550647 0.14788287839038 0.36066358195569 15.999 > 16 63 O 0.10115810550647 0.64788287839038 0.36066358195569 15.999 > 16 64 O 0.60115810550647 0.64788287839038 0.36066358195569 15.999 > 16 *65 Mg 0.00000000000000 0.25000000000000 0.81320711917466 24.305 > 17 66 Mg 0.50000000000000 0.25000000000000 0.81320711917466 24.305 > 17 67 Mg 0.00000000000000 0.75000000000000 0.81320711917466 24.305 > 17 68 Mg 0.50000000000000 0.75000000000000 0.81320711917466 24.305 > 17 69 Mg 0.25000000000000 0.00000000000000 0.68679288082534 24.305 > 18 70 Mg 0.75000000000000 0.00000000000000 0.68679288082534 24.305 > 18 71 Mg 0.25000000000000 0.50000000000000 0.68679288082534 24.305 > 18 72 Mg 0.75000000000000 0.50000000000000 0.68679288082534 24.305 > 18 73 Mg 0.00000000000000 0.25000000000000 0.18679288082534 24.305 > 19 74 Mg 0.50000000000000 0.25000000000000 0.18679288082534 24.305 > 19 75 Mg 0.00000000000000 0.75000000000000 0.18679288082534 24.305 > 19 76 Mg 0.50000000000000 0.75000000000000 0.18679288082534 24.305 > 19 77 Mg 0.25000000000000 0.00000000000000 0.31320711917466 24.305 > 20 78 Mg 0.75000000000000 0.00000000000000 0.31320711917466 24.305 > 20 79 Mg 0.25000000000000 0.50000000000000 0.31320711917466 24.305 > 20 80 Mg 0.75000000000000 0.50000000000000 0.31320711917466 24.305 > 20 *81 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 21 82 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 21 83 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 21 84 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 21 85 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 22 86 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 22 87 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 22 88 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9767513 0.0000000 0.0000000 0.0000000 2.9180653 0.0000000 0.0000000 0.0000000 2.9064311 -------------------------- Born effective charges -------------------------- 1 B 2.4592540 0.4041349 0.0000000 0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 2 B 2.4592540 -0.4041349 0.0000000 -0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 3 B 2.4592540 0.4041349 0.0000000 0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 4 B 2.4592540 -0.4041349 0.0000000 -0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 5 O -1.6309047 0.0130369 0.3209103 0.0442516 -1.4595627 -0.2346994 0.3211040 -0.0925799 -2.0455929 6 O -1.6309047 -0.0130369 -0.3209103 -0.0442516 -1.4595627 -0.2346994 -0.3211040 -0.0925799 -2.0455929 7 O -1.6309047 0.0130369 -0.3209103 0.0442516 -1.4595627 0.2346994 -0.3211040 0.0925799 -2.0455929 8 O -1.6309047 0.0130369 0.3209103 0.0442516 -1.4595627 -0.2346994 0.3211040 -0.0925799 -2.0455929 9 O -1.6309047 -0.0130369 0.3209103 -0.0442516 -1.4595627 0.2346994 0.3211040 0.0925799 -2.0455929 10 O -1.6309047 -0.0130369 -0.3209103 -0.0442516 -1.4595627 -0.2346994 -0.3211040 -0.0925799 -2.0455929 11 O -2.4055382 0.1515095 0.0000000 0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 12 O -2.4055382 -0.1515095 0.0000000 -0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 13 O -2.4055382 -0.1515095 0.0000000 -0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 14 O -2.4055382 0.1515095 0.0000000 0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 15 O -1.6309047 0.0130369 -0.3209103 0.0442516 -1.4595627 0.2346994 -0.3211040 0.0925799 -2.0455929 16 O -1.6309047 -0.0130369 0.3209103 -0.0442516 -1.4595627 0.2346994 0.3211040 0.0925799 -2.0455929 17 Mg 2.0752316 0.0386097 0.0000000 -0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 18 Mg 2.0752316 -0.0386097 0.0000000 0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 19 Mg 2.0752316 0.0386097 0.0000000 -0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 20 Mg 2.0752316 -0.0386097 0.0000000 0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 21 Mg 2.2657241 -0.0466247 0.0000000 0.0820721 2.1464695 0.0000000 0.0000000 0.0000000 1.6015893 22 Mg 2.2657241 0.0466247 0.0000000 -0.0820721 2.1464695 0.0000000 0.0000000 0.0000000 1.6015893 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1187 Number of blocks in projector: 1187 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: 298 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 171 Use standard eigh solver. Tree of FC basis block matrices: - (1187, 1158), data: False |-- (171, 166), data: True |-- (171, 166), data: True |-- (171, 166), data: True |-- (188, 186), data: True |-- (188, 186), data: True |-- (298, 288), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.087 Solver_block: 200 / 400 - Time: 1.077 Solver_block: 300 / 400 - Time: 1.074 Solver_block: 400 / 400 - Time: 1.074 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.339 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1187 Number of blocks in projector: 1187 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: 298 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 171 Use standard eigh solver. Tree of FC basis block matrices: - (1187, 1158), data: False |-- (171, 166), data: True |-- (171, 166), data: True |-- (171, 166), data: True |-- (188, 186), data: True |-- (188, 186), data: True |-- (298, 288), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:36:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:36:22]------------------------- 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: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.508579810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.387698820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.437632250000000 Atomic positions (fractional): 1 B 0.04661998036972 0.24280130158950 0.50000000000000 10.811 2 B 0.45338001963028 0.74280130158950 0.00000000000000 10.811 3 B 0.95338001963028 0.75719869841050 0.50000000000000 10.811 4 B 0.54661998036972 0.25719869841050 0.00000000000000 10.811 5 O 0.29768378898706 0.79576575678076 0.13933641804430 15.999 6 O 0.79768378898706 0.70423424321924 0.36066358195569 15.999 7 O 0.29768378898706 0.79576575678076 0.86066358195570 15.999 8 O 0.70231621101294 0.20423424321924 0.86066358195570 15.999 9 O 0.79768378898706 0.70423424321924 0.63933641804430 15.999 10 O 0.20231621101294 0.29576575678076 0.63933641804430 15.999 11 O 0.25051182831842 0.32338440508642 0.00000000000000 15.999 12 O 0.75051182831842 0.17661559491358 0.50000000000000 15.999 13 O 0.24948817168158 0.82338440508642 0.50000000000000 15.999 14 O 0.74948817168158 0.67661559491358 0.00000000000000 15.999 15 O 0.70231621101294 0.20423424321924 0.13933641804430 15.999 16 O 0.20231621101294 0.29576575678076 0.36066358195569 15.999 17 Mg 0.00000000000000 0.50000000000000 0.81320711917466 24.305 18 Mg 0.50000000000000 0.00000000000000 0.68679288082534 24.305 19 Mg 0.00000000000000 0.50000000000000 0.18679288082534 24.305 20 Mg 0.50000000000000 0.00000000000000 0.31320711917466 24.305 21 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 22 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.017159619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.775397640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.437632250000000 Atomic positions (fractional): 1 B 0.02330999018486 0.12140065079475 0.50000000000000 10.811 > 1 2 B 0.52330999018486 0.12140065079475 0.50000000000000 10.811 > 1 3 B 0.02330999018486 0.62140065079475 0.50000000000000 10.811 > 1 4 B 0.52330999018486 0.62140065079475 0.50000000000000 10.811 > 1 5 B 0.22669000981514 0.37140065079475 0.00000000000000 10.811 > 5 6 B 0.72669000981514 0.37140065079475 0.00000000000000 10.811 > 5 7 B 0.22669000981514 0.87140065079475 0.00000000000000 10.811 > 5 8 B 0.72669000981514 0.87140065079475 0.00000000000000 10.811 > 5 9 B 0.47669000981514 0.37859934920525 0.50000000000000 10.811 > 9 10 B 0.97669000981514 0.37859934920525 0.50000000000000 10.811 > 9 11 B 0.47669000981514 0.87859934920525 0.50000000000000 10.811 > 9 12 B 0.97669000981514 0.87859934920525 0.50000000000000 10.811 > 9 13 B 0.27330999018486 0.12859934920525 0.00000000000000 10.811 > 13 14 B 0.77330999018486 0.12859934920525 0.00000000000000 10.811 > 13 15 B 0.27330999018486 0.62859934920525 0.00000000000000 10.811 > 13 16 B 0.77330999018486 0.62859934920525 0.00000000000000 10.811 > 13 17 O 0.14884189449353 0.39788287839038 0.13933641804430 15.999 > 17 18 O 0.64884189449353 0.39788287839038 0.13933641804430 15.999 > 17 19 O 0.14884189449353 0.89788287839038 0.13933641804430 15.999 > 17 20 O 0.64884189449353 0.89788287839038 0.13933641804430 15.999 > 17 21 O 0.39884189449353 0.35211712160962 0.36066358195569 15.999 > 21 22 O 0.89884189449353 0.35211712160962 0.36066358195569 15.999 > 21 23 O 0.39884189449353 0.85211712160962 0.36066358195569 15.999 > 21 24 O 0.89884189449353 0.85211712160962 0.36066358195569 15.999 > 21 25 O 0.14884189449353 0.39788287839038 0.86066358195570 15.999 > 25 26 O 0.64884189449353 0.39788287839038 0.86066358195570 15.999 > 25 27 O 0.14884189449353 0.89788287839038 0.86066358195570 15.999 > 25 28 O 0.64884189449353 0.89788287839038 0.86066358195570 15.999 > 25 29 O 0.35115810550647 0.10211712160962 0.86066358195570 15.999 > 29 30 O 0.85115810550647 0.10211712160962 0.86066358195570 15.999 > 29 31 O 0.35115810550647 0.60211712160962 0.86066358195570 15.999 > 29 32 O 0.85115810550647 0.60211712160962 0.86066358195570 15.999 > 29 33 O 0.39884189449353 0.35211712160962 0.63933641804430 15.999 > 33 34 O 0.89884189449353 0.35211712160962 0.63933641804430 15.999 > 33 35 O 0.39884189449353 0.85211712160962 0.63933641804430 15.999 > 33 36 O 0.89884189449353 0.85211712160962 0.63933641804430 15.999 > 33 37 O 0.10115810550647 0.14788287839038 0.63933641804430 15.999 > 37 38 O 0.60115810550647 0.14788287839038 0.63933641804430 15.999 > 37 39 O 0.10115810550647 0.64788287839038 0.63933641804430 15.999 > 37 40 O 0.60115810550647 0.64788287839038 0.63933641804430 15.999 > 37 41 O 0.12525591415921 0.16169220254321 0.00000000000000 15.999 > 41 42 O 0.62525591415921 0.16169220254321 0.00000000000000 15.999 > 41 43 O 0.12525591415921 0.66169220254321 0.00000000000000 15.999 > 41 44 O 0.62525591415921 0.66169220254321 0.00000000000000 15.999 > 41 45 O 0.37525591415921 0.08830779745679 0.50000000000000 15.999 > 45 46 O 0.87525591415921 0.08830779745679 0.50000000000000 15.999 > 45 47 O 0.37525591415921 0.58830779745679 0.50000000000000 15.999 > 45 48 O 0.87525591415921 0.58830779745679 0.50000000000000 15.999 > 45 49 O 0.12474408584079 0.41169220254321 0.50000000000000 15.999 > 49 50 O 0.62474408584079 0.41169220254321 0.50000000000000 15.999 > 49 51 O 0.12474408584079 0.91169220254321 0.50000000000000 15.999 > 49 52 O 0.62474408584079 0.91169220254321 0.50000000000000 15.999 > 49 53 O 0.37474408584079 0.33830779745679 0.00000000000000 15.999 > 53 54 O 0.87474408584079 0.33830779745679 0.00000000000000 15.999 > 53 55 O 0.37474408584079 0.83830779745679 0.00000000000000 15.999 > 53 56 O 0.87474408584079 0.83830779745679 0.00000000000000 15.999 > 53 57 O 0.35115810550647 0.10211712160962 0.13933641804430 15.999 > 57 58 O 0.85115810550647 0.10211712160962 0.13933641804430 15.999 > 57 59 O 0.35115810550647 0.60211712160962 0.13933641804430 15.999 > 57 60 O 0.85115810550647 0.60211712160962 0.13933641804430 15.999 > 57 61 O 0.10115810550647 0.14788287839038 0.36066358195569 15.999 > 61 62 O 0.60115810550647 0.14788287839038 0.36066358195569 15.999 > 61 63 O 0.10115810550647 0.64788287839038 0.36066358195569 15.999 > 61 64 O 0.60115810550647 0.64788287839038 0.36066358195569 15.999 > 61 65 Mg 0.00000000000000 0.25000000000000 0.81320711917466 24.305 > 65 66 Mg 0.50000000000000 0.25000000000000 0.81320711917466 24.305 > 65 67 Mg 0.00000000000000 0.75000000000000 0.81320711917466 24.305 > 65 68 Mg 0.50000000000000 0.75000000000000 0.81320711917466 24.305 > 65 69 Mg 0.25000000000000 0.00000000000000 0.68679288082534 24.305 > 69 70 Mg 0.75000000000000 0.00000000000000 0.68679288082534 24.305 > 69 71 Mg 0.25000000000000 0.50000000000000 0.68679288082534 24.305 > 69 72 Mg 0.75000000000000 0.50000000000000 0.68679288082534 24.305 > 69 73 Mg 0.00000000000000 0.25000000000000 0.18679288082534 24.305 > 73 74 Mg 0.50000000000000 0.25000000000000 0.18679288082534 24.305 > 73 75 Mg 0.00000000000000 0.75000000000000 0.18679288082534 24.305 > 73 76 Mg 0.50000000000000 0.75000000000000 0.18679288082534 24.305 > 73 77 Mg 0.25000000000000 0.00000000000000 0.31320711917466 24.305 > 77 78 Mg 0.75000000000000 0.00000000000000 0.31320711917466 24.305 > 77 79 Mg 0.25000000000000 0.50000000000000 0.31320711917466 24.305 > 77 80 Mg 0.75000000000000 0.50000000000000 0.31320711917466 24.305 > 77 81 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 81 82 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 81 83 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 81 84 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 81 85 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 85 86 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 85 87 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 85 88 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9767513 0.0000000 0.0000000 0.0000000 2.9180653 0.0000000 0.0000000 0.0000000 2.9064311 -------------------------- Born effective charges -------------------------- 1 B 2.4592540 0.4041349 0.0000000 0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 2 B 2.4592540 -0.4041349 0.0000000 -0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 3 B 2.4592540 0.4041349 0.0000000 0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 4 B 2.4592540 -0.4041349 0.0000000 -0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 5 O -1.6309047 0.0130369 0.3209103 0.0442516 -1.4595627 -0.2346994 0.3211040 -0.0925799 -2.0455929 6 O -1.6309047 -0.0130369 -0.3209103 -0.0442516 -1.4595627 -0.2346994 -0.3211040 -0.0925799 -2.0455929 7 O -1.6309047 0.0130369 -0.3209103 0.0442516 -1.4595627 0.2346994 -0.3211040 0.0925799 -2.0455929 8 O -1.6309047 0.0130369 0.3209103 0.0442516 -1.4595627 -0.2346994 0.3211040 -0.0925799 -2.0455929 9 O -1.6309047 -0.0130369 0.3209103 -0.0442516 -1.4595627 0.2346994 0.3211040 0.0925799 -2.0455929 10 O -1.6309047 -0.0130369 -0.3209103 -0.0442516 -1.4595627 -0.2346994 -0.3211040 -0.0925799 -2.0455929 11 O -2.4055382 0.1515095 0.0000000 0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 12 O -2.4055382 -0.1515095 0.0000000 -0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 13 O -2.4055382 -0.1515095 0.0000000 -0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 14 O -2.4055382 0.1515095 0.0000000 0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 15 O -1.6309047 0.0130369 -0.3209103 0.0442516 -1.4595627 0.2346994 -0.3211040 0.0925799 -2.0455929 16 O -1.6309047 -0.0130369 0.3209103 -0.0442516 -1.4595627 0.2346994 0.3211040 0.0925799 -2.0455929 17 Mg 2.0752316 0.0386097 0.0000000 -0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 18 Mg 2.0752316 -0.0386097 0.0000000 0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 19 Mg 2.0752316 0.0386097 0.0000000 -0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 20 Mg 2.0752316 -0.0386097 0.0000000 0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 21 Mg 2.2657241 -0.0466247 0.0000000 0.0820721 2.1464695 0.0000000 0.0000000 0.0000000 1.6015893 22 Mg 2.2657241 0.0466247 0.0000000 -0.0820721 2.1464695 0.0000000 0.0000000 0.0000000 1.6015893 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (xyx) 0.00000006 (xyx) 0.00000006 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yx) -0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:36:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:36:36]------------------------- 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: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.508579810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.387698820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.437632250000000 Atomic positions (fractional): 1 B 0.04661998036972 0.24280130158950 0.50000000000000 10.811 2 B 0.45338001963028 0.74280130158950 0.00000000000000 10.811 3 B 0.95338001963028 0.75719869841050 0.50000000000000 10.811 4 B 0.54661998036972 0.25719869841050 0.00000000000000 10.811 5 O 0.29768378898706 0.79576575678076 0.13933641804430 15.999 6 O 0.79768378898706 0.70423424321924 0.36066358195569 15.999 7 O 0.29768378898706 0.79576575678076 0.86066358195570 15.999 8 O 0.70231621101294 0.20423424321924 0.86066358195570 15.999 9 O 0.79768378898706 0.70423424321924 0.63933641804430 15.999 10 O 0.20231621101294 0.29576575678076 0.63933641804430 15.999 11 O 0.25051182831842 0.32338440508642 0.00000000000000 15.999 12 O 0.75051182831842 0.17661559491358 0.50000000000000 15.999 13 O 0.24948817168158 0.82338440508642 0.50000000000000 15.999 14 O 0.74948817168158 0.67661559491358 0.00000000000000 15.999 15 O 0.70231621101294 0.20423424321924 0.13933641804430 15.999 16 O 0.20231621101294 0.29576575678076 0.36066358195569 15.999 17 Mg 0.00000000000000 0.50000000000000 0.81320711917466 24.305 18 Mg 0.50000000000000 0.00000000000000 0.68679288082534 24.305 19 Mg 0.00000000000000 0.50000000000000 0.18679288082534 24.305 20 Mg 0.50000000000000 0.00000000000000 0.31320711917466 24.305 21 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 22 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.017159619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.775397640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.437632250000000 Atomic positions (fractional): 1 B 0.02330999018486 0.12140065079475 0.50000000000000 10.811 > 1 2 B 0.52330999018486 0.12140065079475 0.50000000000000 10.811 > 1 3 B 0.02330999018486 0.62140065079475 0.50000000000000 10.811 > 1 4 B 0.52330999018486 0.62140065079475 0.50000000000000 10.811 > 1 5 B 0.22669000981514 0.37140065079475 0.00000000000000 10.811 > 5 6 B 0.72669000981514 0.37140065079475 0.00000000000000 10.811 > 5 7 B 0.22669000981514 0.87140065079475 0.00000000000000 10.811 > 5 8 B 0.72669000981514 0.87140065079475 0.00000000000000 10.811 > 5 9 B 0.47669000981514 0.37859934920525 0.50000000000000 10.811 > 9 10 B 0.97669000981514 0.37859934920525 0.50000000000000 10.811 > 9 11 B 0.47669000981514 0.87859934920525 0.50000000000000 10.811 > 9 12 B 0.97669000981514 0.87859934920525 0.50000000000000 10.811 > 9 13 B 0.27330999018486 0.12859934920525 0.00000000000000 10.811 > 13 14 B 0.77330999018486 0.12859934920525 0.00000000000000 10.811 > 13 15 B 0.27330999018486 0.62859934920525 0.00000000000000 10.811 > 13 16 B 0.77330999018486 0.62859934920525 0.00000000000000 10.811 > 13 17 O 0.14884189449353 0.39788287839038 0.13933641804430 15.999 > 17 18 O 0.64884189449353 0.39788287839038 0.13933641804430 15.999 > 17 19 O 0.14884189449353 0.89788287839038 0.13933641804430 15.999 > 17 20 O 0.64884189449353 0.89788287839038 0.13933641804430 15.999 > 17 21 O 0.39884189449353 0.35211712160962 0.36066358195569 15.999 > 21 22 O 0.89884189449353 0.35211712160962 0.36066358195569 15.999 > 21 23 O 0.39884189449353 0.85211712160962 0.36066358195569 15.999 > 21 24 O 0.89884189449353 0.85211712160962 0.36066358195569 15.999 > 21 25 O 0.14884189449353 0.39788287839038 0.86066358195570 15.999 > 25 26 O 0.64884189449353 0.39788287839038 0.86066358195570 15.999 > 25 27 O 0.14884189449353 0.89788287839038 0.86066358195570 15.999 > 25 28 O 0.64884189449353 0.89788287839038 0.86066358195570 15.999 > 25 29 O 0.35115810550647 0.10211712160962 0.86066358195570 15.999 > 29 30 O 0.85115810550647 0.10211712160962 0.86066358195570 15.999 > 29 31 O 0.35115810550647 0.60211712160962 0.86066358195570 15.999 > 29 32 O 0.85115810550647 0.60211712160962 0.86066358195570 15.999 > 29 33 O 0.39884189449353 0.35211712160962 0.63933641804430 15.999 > 33 34 O 0.89884189449353 0.35211712160962 0.63933641804430 15.999 > 33 35 O 0.39884189449353 0.85211712160962 0.63933641804430 15.999 > 33 36 O 0.89884189449353 0.85211712160962 0.63933641804430 15.999 > 33 37 O 0.10115810550647 0.14788287839038 0.63933641804430 15.999 > 37 38 O 0.60115810550647 0.14788287839038 0.63933641804430 15.999 > 37 39 O 0.10115810550647 0.64788287839038 0.63933641804430 15.999 > 37 40 O 0.60115810550647 0.64788287839038 0.63933641804430 15.999 > 37 41 O 0.12525591415921 0.16169220254321 0.00000000000000 15.999 > 41 42 O 0.62525591415921 0.16169220254321 0.00000000000000 15.999 > 41 43 O 0.12525591415921 0.66169220254321 0.00000000000000 15.999 > 41 44 O 0.62525591415921 0.66169220254321 0.00000000000000 15.999 > 41 45 O 0.37525591415921 0.08830779745679 0.50000000000000 15.999 > 45 46 O 0.87525591415921 0.08830779745679 0.50000000000000 15.999 > 45 47 O 0.37525591415921 0.58830779745679 0.50000000000000 15.999 > 45 48 O 0.87525591415921 0.58830779745679 0.50000000000000 15.999 > 45 49 O 0.12474408584079 0.41169220254321 0.50000000000000 15.999 > 49 50 O 0.62474408584079 0.41169220254321 0.50000000000000 15.999 > 49 51 O 0.12474408584079 0.91169220254321 0.50000000000000 15.999 > 49 52 O 0.62474408584079 0.91169220254321 0.50000000000000 15.999 > 49 53 O 0.37474408584079 0.33830779745679 0.00000000000000 15.999 > 53 54 O 0.87474408584079 0.33830779745679 0.00000000000000 15.999 > 53 55 O 0.37474408584079 0.83830779745679 0.00000000000000 15.999 > 53 56 O 0.87474408584079 0.83830779745679 0.00000000000000 15.999 > 53 57 O 0.35115810550647 0.10211712160962 0.13933641804430 15.999 > 57 58 O 0.85115810550647 0.10211712160962 0.13933641804430 15.999 > 57 59 O 0.35115810550647 0.60211712160962 0.13933641804430 15.999 > 57 60 O 0.85115810550647 0.60211712160962 0.13933641804430 15.999 > 57 61 O 0.10115810550647 0.14788287839038 0.36066358195569 15.999 > 61 62 O 0.60115810550647 0.14788287839038 0.36066358195569 15.999 > 61 63 O 0.10115810550647 0.64788287839038 0.36066358195569 15.999 > 61 64 O 0.60115810550647 0.64788287839038 0.36066358195569 15.999 > 61 65 Mg 0.00000000000000 0.25000000000000 0.81320711917466 24.305 > 65 66 Mg 0.50000000000000 0.25000000000000 0.81320711917466 24.305 > 65 67 Mg 0.00000000000000 0.75000000000000 0.81320711917466 24.305 > 65 68 Mg 0.50000000000000 0.75000000000000 0.81320711917466 24.305 > 65 69 Mg 0.25000000000000 0.00000000000000 0.68679288082534 24.305 > 69 70 Mg 0.75000000000000 0.00000000000000 0.68679288082534 24.305 > 69 71 Mg 0.25000000000000 0.50000000000000 0.68679288082534 24.305 > 69 72 Mg 0.75000000000000 0.50000000000000 0.68679288082534 24.305 > 69 73 Mg 0.00000000000000 0.25000000000000 0.18679288082534 24.305 > 73 74 Mg 0.50000000000000 0.25000000000000 0.18679288082534 24.305 > 73 75 Mg 0.00000000000000 0.75000000000000 0.18679288082534 24.305 > 73 76 Mg 0.50000000000000 0.75000000000000 0.18679288082534 24.305 > 73 77 Mg 0.25000000000000 0.00000000000000 0.31320711917466 24.305 > 77 78 Mg 0.75000000000000 0.00000000000000 0.31320711917466 24.305 > 77 79 Mg 0.25000000000000 0.50000000000000 0.31320711917466 24.305 > 77 80 Mg 0.75000000000000 0.50000000000000 0.31320711917466 24.305 > 77 81 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 81 82 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 81 83 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 81 84 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 81 85 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 85 86 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 85 87 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 85 88 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9767513 0.0000000 0.0000000 0.0000000 2.9180653 0.0000000 0.0000000 0.0000000 2.9064311 -------------------------- Born effective charges -------------------------- 1 B 2.4592540 0.4041349 0.0000000 0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 2 B 2.4592540 -0.4041349 0.0000000 -0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 3 B 2.4592540 0.4041349 0.0000000 0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 4 B 2.4592540 -0.4041349 0.0000000 -0.4648982 1.5268502 0.0000000 0.0000000 0.0000000 2.2820652 5 O -1.6309047 0.0130369 0.3209103 0.0442516 -1.4595627 -0.2346994 0.3211040 -0.0925799 -2.0455929 6 O -1.6309047 -0.0130369 -0.3209103 -0.0442516 -1.4595627 -0.2346994 -0.3211040 -0.0925799 -2.0455929 7 O -1.6309047 0.0130369 -0.3209103 0.0442516 -1.4595627 0.2346994 -0.3211040 0.0925799 -2.0455929 8 O -1.6309047 0.0130369 0.3209103 0.0442516 -1.4595627 -0.2346994 0.3211040 -0.0925799 -2.0455929 9 O -1.6309047 -0.0130369 0.3209103 -0.0442516 -1.4595627 0.2346994 0.3211040 0.0925799 -2.0455929 10 O -1.6309047 -0.0130369 -0.3209103 -0.0442516 -1.4595627 -0.2346994 -0.3211040 -0.0925799 -2.0455929 11 O -2.4055382 0.1515095 0.0000000 0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 12 O -2.4055382 -0.1515095 0.0000000 -0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 13 O -2.4055382 -0.1515095 0.0000000 -0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 14 O -2.4055382 0.1515095 0.0000000 0.1892466 -1.7136015 0.0000000 0.0000000 0.0000000 -1.2577450 15 O -1.6309047 0.0130369 -0.3209103 0.0442516 -1.4595627 0.2346994 -0.3211040 0.0925799 -2.0455929 16 O -1.6309047 -0.0130369 0.3209103 -0.0442516 -1.4595627 0.2346994 0.3211040 0.0925799 -2.0455929 17 Mg 2.0752316 0.0386097 0.0000000 -0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 18 Mg 2.0752316 -0.0386097 0.0000000 0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 19 Mg 2.0752316 0.0386097 0.0000000 -0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 20 Mg 2.0752316 -0.0386097 0.0000000 0.0120114 2.0326419 0.0000000 0.0000000 0.0000000 2.2660708 21 Mg 2.2657241 -0.0466247 0.0000000 0.0820721 2.1464695 0.0000000 0.0000000 0.0000000 1.6015893 22 Mg 2.2657241 0.0466247 0.0000000 -0.0820721 2.1464695 0.0000000 0.0000000 0.0000000 1.6015893 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xyx) 0.00000006 (xyx) 0.00000006 (xxy) 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 ... [ 11 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.70, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 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 4.536 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 7.407 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.832 ( 0.000 0.000 0.000) 0.000 8.946 ( 0.000 0.000 0.000) 0.000 9.121 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.682 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 11.929 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.186 ( 0.000 0.000 0.000) 0.000 12.257 ( 0.000 0.000 0.000) 0.000 12.493 ( 0.000 0.000 0.000) 0.000 12.568 ( 0.000 0.000 0.000) 0.000 12.632 ( 0.000 0.000 0.000) 0.000 13.336 ( 0.000 0.000 0.000) 0.000 13.580 ( 0.000 0.000 0.000) 0.000 14.240 ( 0.000 0.000 0.000) 0.000 14.781 ( 0.000 0.000 0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 16.760 ( 0.000 0.000 0.000) 0.000 16.821 ( 0.000 0.000 0.000) 0.000 17.551 ( 0.000 0.000 0.000) 0.000 18.275 ( 0.000 0.000 0.000) 0.000 18.311 ( 0.000 0.000 0.000) 0.000 19.956 ( 0.000 0.000 0.000) 0.000 20.017 ( 0.000 0.000 0.000) 0.000 20.176 ( 0.000 0.000 0.000) 0.000 20.349 ( 0.000 0.000 0.000) 0.000 22.175 ( 0.000 0.000 0.000) 0.000 22.179 ( 0.000 0.000 0.000) 0.000 26.388 ( 0.000 0.000 0.000) 0.000 26.394 ( 0.000 0.000 0.000) 0.000 26.833 ( 0.000 0.000 0.000) 0.000 27.155 ( 0.000 0.000 0.000) 0.000 34.441 ( 0.000 0.000 0.000) 0.000 35.101 ( 0.000 0.000 0.000) 0.000 35.135 ( 0.000 0.000 0.000) 0.000 37.493 ( 0.000 0.000 0.000) 0.000 37.862 ( 0.000 0.000 0.000) 0.000 37.998 ( 0.000 0.000 0.000) 0.000 38.647 ( 0.000 0.000 0.000) 0.000 38.985 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 48.740 0.000 0.000) 48.740 1.119 ( 55.020 0.000 0.000) 55.020 2.027 ( 99.070 0.000 0.000) 99.070 4.734 ( 7.627 0.000 0.000) 7.627 5.454 ( 24.432 0.000 0.000) 24.432 5.601 ( 0.498 0.000 0.000) 0.498 5.739 ( -16.615 0.000 0.000) 16.615 6.409 ( 8.547 0.000 0.000) 8.547 6.472 ( 4.515 0.000 0.000) 4.515 7.511 ( 8.460 0.000 0.000) 8.460 7.786 ( -8.902 0.000 0.000) 8.902 7.808 ( -11.305 0.000 0.000) 11.305 8.194 ( -9.185 0.000 0.000) 9.185 8.251 ( -8.762 0.000 0.000) 8.762 8.274 ( 6.152 0.000 0.000) 6.152 8.655 ( 5.279 0.000 0.000) 5.279 8.743 ( -15.487 0.000 0.000) 15.487 8.849 ( 1.359 0.000 0.000) 1.359 8.960 ( -14.305 0.000 0.000) 14.305 9.470 ( 6.880 0.000 0.000) 6.880 9.572 ( -6.726 0.000 0.000) 6.726 9.794 ( -0.581 0.000 0.000) 0.581 9.912 ( -6.650 0.000 0.000) 6.650 10.063 ( -4.658 0.000 0.000) 4.658 10.144 ( 6.793 0.000 0.000) 6.793 10.367 ( -7.254 0.000 0.000) 7.254 10.482 ( 5.353 0.000 0.000) 5.353 10.554 ( -2.595 0.000 0.000) 2.595 10.857 ( -0.550 0.000 0.000) 0.550 11.449 ( -1.097 0.000 0.000) 1.097 11.518 ( 4.427 0.000 0.000) 4.427 11.892 ( -3.130 0.000 0.000) 3.130 12.128 ( -12.974 0.000 0.000) 12.974 12.207 ( 1.965 0.000 0.000) 1.965 12.303 ( 3.700 0.000 0.000) 3.700 12.509 ( 3.405 0.000 0.000) 3.405 12.547 ( -1.964 0.000 0.000) 1.964 13.322 ( -0.952 0.000 0.000) 0.952 13.765 ( 15.454 0.000 0.000) 15.454 14.203 ( -3.479 0.000 0.000) 3.479 14.445 ( -13.684 0.000 0.000) 13.684 16.115 ( 9.002 0.000 0.000) 9.002 16.714 ( -11.900 0.000 0.000) 11.900 16.779 ( 1.806 0.000 0.000) 1.806 16.881 ( 5.754 0.000 0.000) 5.754 17.559 ( 0.704 0.000 0.000) 0.704 18.263 ( -1.052 0.000 0.000) 1.052 18.332 ( -1.820 0.000 0.000) 1.820 19.913 ( -4.069 0.000 0.000) 4.069 20.047 ( -12.500 0.000 0.000) 12.500 20.290 ( -0.674 0.000 0.000) 0.674 20.295 ( -4.698 0.000 0.000) 4.698 22.179 ( 0.397 0.000 0.000) 0.397 22.186 ( 0.641 0.000 0.000) 0.641 26.408 ( 1.885 0.000 0.000) 1.885 26.428 ( 3.053 0.000 0.000) 3.053 26.856 ( 2.185 0.000 0.000) 2.185 27.167 ( 1.115 0.000 0.000) 1.115 34.489 ( 4.603 0.000 0.000) 4.603 35.101 ( -0.021 0.000 0.000) 0.021 35.176 ( 4.178 0.000 0.000) 4.178 37.556 ( 6.028 0.000 0.000) 6.028 37.981 ( -0.274 0.000 0.000) 0.274 38.846 ( -13.492 0.000 0.000) 13.492 38.877 ( 20.671 0.000 0.000) 20.671 41.758 ( -0.599 0.000 0.000) 0.599 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 47.450 0.000 0.000) 47.450 2.209 ( 52.882 0.000 0.000) 52.882 3.954 ( 90.087 0.000 0.000) 90.087 4.975 ( 17.122 0.000 0.000) 17.122 5.377 ( -17.965 0.000 0.000) 17.965 5.620 ( 1.472 0.000 0.000) 1.472 6.068 ( 33.206 0.000 0.000) 33.206 6.573 ( 7.386 0.000 0.000) 7.386 6.600 ( 7.851 0.000 0.000) 7.851 7.504 ( -18.011 0.000 0.000) 18.011 7.548 ( -10.513 0.000 0.000) 10.513 7.554 ( -13.462 0.000 0.000) 13.462 8.100 ( 3.651 0.000 0.000) 3.651 8.114 ( -4.407 0.000 0.000) 4.407 8.345 ( -10.151 0.000 0.000) 10.151 8.432 ( -5.648 0.000 0.000) 5.648 8.630 ( -15.633 0.000 0.000) 15.633 8.655 ( -6.172 0.000 0.000) 6.172 8.871 ( 0.543 0.000 0.000) 0.543 9.220 ( -17.855 0.000 0.000) 17.855 9.565 ( -18.330 0.000 0.000) 18.330 9.761 ( 13.168 0.000 0.000) 13.168 9.921 ( 4.045 0.000 0.000) 4.045 9.960 ( -4.706 0.000 0.000) 4.706 10.236 ( -3.705 0.000 0.000) 3.705 10.267 ( 4.237 0.000 0.000) 4.237 10.488 ( -3.692 0.000 0.000) 3.692 10.635 ( 9.705 0.000 0.000) 9.705 10.842 ( -0.922 0.000 0.000) 0.922 11.435 ( 1.131 0.000 0.000) 1.131 11.637 ( 4.755 0.000 0.000) 4.755 11.816 ( -14.858 0.000 0.000) 14.858 11.831 ( -2.332 0.000 0.000) 2.332 12.260 ( 3.051 0.000 0.000) 3.051 12.390 ( 4.492 0.000 0.000) 4.492 12.497 ( -2.724 0.000 0.000) 2.724 12.607 ( 5.357 0.000 0.000) 5.357 13.315 ( 0.509 0.000 0.000) 0.509 14.059 ( -23.722 0.000 0.000) 23.722 14.083 ( 13.714 0.000 0.000) 13.714 14.107 ( -5.807 0.000 0.000) 5.807 16.341 ( 12.375 0.000 0.000) 12.375 16.365 ( -22.485 0.000 0.000) 22.485 16.827 ( 2.717 0.000 0.000) 2.717 17.036 ( 9.047 0.000 0.000) 9.047 17.575 ( 0.855 0.000 0.000) 0.855 18.237 ( -1.437 0.000 0.000) 1.437 18.287 ( -2.463 0.000 0.000) 2.463 19.719 ( -18.374 0.000 0.000) 18.374 19.803 ( -6.572 0.000 0.000) 6.572 20.178 ( -6.540 0.000 0.000) 6.540 20.255 ( -2.944 0.000 0.000) 2.944 22.190 ( 0.654 0.000 0.000) 0.654 22.203 ( 0.932 0.000 0.000) 0.932 26.460 ( 3.099 0.000 0.000) 3.099 26.501 ( 3.836 0.000 0.000) 3.836 26.916 ( 3.576 0.000 0.000) 3.576 27.194 ( 1.365 0.000 0.000) 1.365 34.611 ( 6.970 0.000 0.000) 6.970 35.099 ( -0.242 0.000 0.000) 0.242 35.310 ( 9.330 0.000 0.000) 9.330 37.723 ( 10.066 0.000 0.000) 10.066 38.019 ( 4.053 0.000 0.000) 4.053 38.469 ( -23.005 0.000 0.000) 23.005 39.397 ( 29.231 0.000 0.000) 29.231 41.735 ( -1.822 0.000 0.000) 1.822 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 45.536 0.000 0.000) 45.536 3.242 ( 49.260 0.000 0.000) 49.260 5.064 ( -11.972 0.000 0.000) 11.972 5.202 ( 25.080 0.000 0.000) 25.080 5.661 ( 2.347 0.000 0.000) 2.347 5.796 ( 68.488 0.000 0.000) 68.488 6.662 ( 23.176 0.000 0.000) 23.176 6.669 ( -0.145 0.000 0.000) 0.145 6.749 ( 3.806 0.000 0.000) 3.806 7.145 ( -13.741 0.000 0.000) 13.741 7.198 ( -17.894 0.000 0.000) 17.894 7.300 ( -8.991 0.000 0.000) 8.991 7.921 ( -25.382 0.000 0.000) 25.382 8.056 ( -12.605 0.000 0.000) 12.605 8.079 ( 0.552 0.000 0.000) 0.552 8.376 ( -8.162 0.000 0.000) 8.162 8.406 ( -17.388 0.000 0.000) 17.388 8.553 ( 9.643 0.000 0.000) 9.643 8.847 ( -4.835 0.000 0.000) 4.835 8.932 ( -7.978 0.000 0.000) 7.978 9.160 ( -19.054 0.000 0.000) 19.054 9.889 ( -2.446 0.000 0.000) 2.446 10.004 ( 3.899 0.000 0.000) 3.899 10.022 ( 12.371 0.000 0.000) 12.371 10.273 ( 7.270 0.000 0.000) 7.270 10.296 ( -1.216 0.000 0.000) 1.216 10.414 ( -3.308 0.000 0.000) 3.308 10.816 ( -1.726 0.000 0.000) 1.726 10.872 ( 13.659 0.000 0.000) 13.659 11.451 ( -11.303 0.000 0.000) 11.303 11.517 ( 4.094 0.000 0.000) 4.094 11.807 ( 5.925 0.000 0.000) 5.925 11.814 ( 0.650 0.000 0.000) 0.650 12.323 ( 3.013 0.000 0.000) 3.013 12.448 ( -1.967 0.000 0.000) 1.967 12.468 ( 2.725 0.000 0.000) 2.725 12.705 ( 4.188 0.000 0.000) 4.188 13.349 ( 2.921 0.000 0.000) 2.921 13.535 ( -26.763 0.000 0.000) 26.763 13.977 ( -6.928 0.000 0.000) 6.928 14.252 ( 2.290 0.000 0.000) 2.290 15.823 ( -30.681 0.000 0.000) 30.681 16.582 ( 11.053 0.000 0.000) 11.053 16.881 ( 2.557 0.000 0.000) 2.557 17.223 ( 8.922 0.000 0.000) 8.922 17.588 ( 0.296 0.000 0.000) 0.296 18.213 ( -0.750 0.000 0.000) 0.750 18.240 ( -2.015 0.000 0.000) 2.015 19.377 ( -13.996 0.000 0.000) 13.996 19.658 ( -7.556 0.000 0.000) 7.556 20.044 ( -6.402 0.000 0.000) 6.402 20.168 ( -5.621 0.000 0.000) 5.621 22.205 ( 0.721 0.000 0.000) 0.721 22.221 ( 0.786 0.000 0.000) 0.786 26.526 ( 3.307 0.000 0.000) 3.307 26.572 ( 3.002 0.000 0.000) 3.002 26.993 ( 3.938 0.000 0.000) 3.938 27.214 ( 0.533 0.000 0.000) 0.533 34.751 ( 6.582 0.000 0.000) 6.582 35.089 ( -0.771 0.000 0.000) 0.771 35.557 ( 15.212 0.000 0.000) 15.212 37.940 ( 10.944 0.000 0.000) 10.944 37.954 ( -27.243 0.000 0.000) 27.243 38.128 ( 6.182 0.000 0.000) 6.182 40.003 ( 29.805 0.000 0.000) 29.805 41.677 ( -4.172 0.000 0.000) 4.172 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.792 ( 42.858 0.000 0.000) 42.858 4.180 ( 43.074 0.000 0.000) 43.074 4.927 ( -1.210 0.000 0.000) 1.210 5.545 ( 6.791 0.000 0.000) 6.791 5.691 ( -0.370 0.000 0.000) 0.370 6.476 ( -18.163 0.000 0.000) 18.163 6.521 ( -1.137 0.000 0.000) 1.137 6.604 ( -11.462 0.000 0.000) 11.462 6.970 ( 8.013 0.000 0.000) 8.013 7.157 ( 10.520 0.000 0.000) 10.520 7.257 ( -5.193 0.000 0.000) 5.193 7.378 ( 33.273 0.000 0.000) 33.273 7.406 ( -15.274 0.000 0.000) 15.274 7.819 ( -2.657 0.000 0.000) 2.657 7.927 ( -21.332 0.000 0.000) 21.332 8.123 ( -14.439 0.000 0.000) 14.439 8.188 ( 1.916 0.000 0.000) 1.916 8.543 ( -22.393 0.000 0.000) 22.393 8.830 ( 17.598 0.000 0.000) 17.598 8.880 ( 0.526 0.000 0.000) 0.526 8.962 ( -2.776 0.000 0.000) 2.776 9.854 ( -1.335 0.000 0.000) 1.335 10.077 ( 3.390 0.000 0.000) 3.390 10.217 ( 4.501 0.000 0.000) 4.501 10.237 ( -4.061 0.000 0.000) 4.061 10.389 ( 3.087 0.000 0.000) 3.087 10.404 ( 0.076 0.000 0.000) 0.076 10.766 ( -3.470 0.000 0.000) 3.470 11.176 ( 16.147 0.000 0.000) 16.147 11.343 ( 5.064 0.000 0.000) 5.064 11.655 ( 7.460 0.000 0.000) 7.460 11.842 ( 1.463 0.000 0.000) 1.463 11.914 ( 4.561 0.000 0.000) 4.561 12.375 ( 2.045 0.000 0.000) 2.045 12.421 ( -0.725 0.000 0.000) 0.725 12.464 ( -4.722 0.000 0.000) 4.722 12.772 ( 2.419 0.000 0.000) 2.419 13.056 ( -18.340 0.000 0.000) 18.340 13.430 ( 5.027 0.000 0.000) 5.027 13.833 ( -7.310 0.000 0.000) 7.310 14.194 ( -5.950 0.000 0.000) 5.950 15.158 ( -34.235 0.000 0.000) 34.235 16.773 ( 7.683 0.000 0.000) 7.683 16.923 ( 1.458 0.000 0.000) 1.458 17.382 ( 6.649 0.000 0.000) 6.649 17.584 ( -0.800 0.000 0.000) 0.800 18.207 ( -0.066 0.000 0.000) 0.066 18.209 ( -1.048 0.000 0.000) 1.048 19.195 ( -3.745 0.000 0.000) 3.745 19.504 ( -7.743 0.000 0.000) 7.743 19.934 ( -4.228 0.000 0.000) 4.228 20.040 ( -6.575 0.000 0.000) 6.575 22.219 ( 0.646 0.000 0.000) 0.646 22.233 ( 0.370 0.000 0.000) 0.370 26.587 ( 2.599 0.000 0.000) 2.599 26.619 ( 1.670 0.000 0.000) 1.670 27.070 ( 3.568 0.000 0.000) 3.568 27.212 ( -0.775 0.000 0.000) 0.775 34.869 ( 5.147 0.000 0.000) 5.147 35.066 ( -1.590 0.000 0.000) 1.590 35.916 ( 20.097 0.000 0.000) 20.097 37.397 ( -27.535 0.000 0.000) 27.535 38.142 ( 8.652 0.000 0.000) 8.652 38.245 ( 4.865 0.000 0.000) 4.865 40.566 ( 25.566 0.000 0.000) 25.566 41.557 ( -7.937 0.000 0.000) 7.937 ======================= Grid point 5 (6/120) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.617 ( 38.551 0.000 0.000) 38.551 4.896 ( 22.843 0.000 0.000) 22.843 4.991 ( 5.410 0.000 0.000) 5.410 5.306 ( -27.564 0.000 0.000) 27.564 5.666 ( 3.428 0.000 0.000) 3.428 6.017 ( -25.220 0.000 0.000) 25.220 6.537 ( 6.310 0.000 0.000) 6.310 6.672 ( 17.463 0.000 0.000) 17.463 6.825 ( -21.000 0.000 0.000) 21.000 6.989 ( -8.010 0.000 0.000) 8.010 7.403 ( 12.343 0.000 0.000) 12.343 7.480 ( -4.701 0.000 0.000) 4.701 7.519 ( 6.191 0.000 0.000) 6.191 7.527 ( -12.884 0.000 0.000) 12.884 7.885 ( -4.647 0.000 0.000) 4.647 8.097 ( -19.982 0.000 0.000) 19.982 8.146 ( 13.215 0.000 0.000) 13.215 8.238 ( 0.953 0.000 0.000) 0.953 8.903 ( 1.363 0.000 0.000) 1.363 8.929 ( -1.228 0.000 0.000) 1.228 9.331 ( 29.906 0.000 0.000) 29.906 9.777 ( -10.117 0.000 0.000) 10.117 10.144 ( 3.263 0.000 0.000) 3.263 10.164 ( -2.002 0.000 0.000) 2.002 10.207 ( -2.809 0.000 0.000) 2.809 10.240 ( -10.754 0.000 0.000) 10.754 10.530 ( 8.047 0.000 0.000) 8.047 10.672 ( -5.883 0.000 0.000) 5.883 11.488 ( 13.132 0.000 0.000) 13.132 11.565 ( 8.962 0.000 0.000) 8.962 11.771 ( 3.513 0.000 0.000) 3.513 11.843 ( -2.107 0.000 0.000) 2.107 12.017 ( 7.496 0.000 0.000) 7.496 12.251 ( -14.033 0.000 0.000) 14.033 12.404 ( 0.846 0.000 0.000) 0.846 12.413 ( -0.246 0.000 0.000) 0.246 12.806 ( 1.312 0.000 0.000) 1.312 12.849 ( -3.981 0.000 0.000) 3.981 13.547 ( 6.465 0.000 0.000) 6.465 13.686 ( -7.181 0.000 0.000) 7.181 14.157 ( 6.266 0.000 0.000) 6.266 14.512 ( -27.435 0.000 0.000) 27.435 16.889 ( 3.874 0.000 0.000) 3.874 16.933 ( -0.662 0.000 0.000) 0.662 17.490 ( 4.163 0.000 0.000) 4.163 17.554 ( -2.256 0.000 0.000) 2.256 18.199 ( -0.038 0.000 0.000) 0.038 18.203 ( -0.316 0.000 0.000) 0.316 19.214 ( 4.781 0.000 0.000) 4.781 19.347 ( -7.644 0.000 0.000) 7.644 19.886 ( -0.310 0.000 0.000) 0.310 19.926 ( -4.197 0.000 0.000) 4.197 22.230 ( 0.440 0.000 0.000) 0.440 22.235 ( -0.088 0.000 0.000) 0.088 26.627 ( 1.313 0.000 0.000) 1.313 26.638 ( 0.192 0.000 0.000) 0.192 27.135 ( 2.859 0.000 0.000) 2.859 27.184 ( -1.950 0.000 0.000) 1.950 34.959 ( 3.790 0.000 0.000) 3.790 35.023 ( -2.614 0.000 0.000) 2.614 36.357 ( 23.459 0.000 0.000) 23.459 36.856 ( -25.901 0.000 0.000) 25.901 38.274 ( 4.176 0.000 0.000) 4.176 38.307 ( 0.908 0.000 0.000) 0.908 41.021 ( 19.350 0.000 0.000) 19.350 41.347 ( -13.128 0.000 0.000) 13.128 ======================= Grid point 11 (7/120) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 42.135 0.000) 42.135 1.007 ( 0.000 48.436 0.000) 48.436 1.737 ( 0.000 83.463 0.000) 83.463 4.763 ( 0.000 21.016 0.000) 21.016 5.287 ( 0.000 -20.192 0.000) 20.192 5.306 ( 0.000 3.073 0.000) 3.073 6.074 ( 0.000 -4.136 0.000) 4.136 6.338 ( 0.000 5.138 0.000) 5.138 6.435 ( 0.000 8.329 0.000) 8.329 7.147 ( 0.000 -20.556 0.000) 20.556 7.414 ( 0.000 -24.940 0.000) 24.940 7.993 ( 0.000 -10.445 0.000) 10.445 8.239 ( 0.000 1.775 0.000) 1.775 8.344 ( 0.000 19.649 0.000) 19.649 8.614 ( 0.000 15.889 0.000) 15.889 8.643 ( 0.000 7.966 0.000) 7.966 8.658 ( 0.000 -9.026 0.000) 9.026 9.074 ( 0.000 -19.685 0.000) 19.685 9.101 ( 0.000 9.920 0.000) 9.920 9.123 ( 0.000 -1.635 0.000) 1.635 9.680 ( 0.000 -3.544 0.000) 3.544 9.689 ( 0.000 0.977 0.000) 0.977 9.887 ( 0.000 9.328 0.000) 9.328 10.123 ( 0.000 -17.724 0.000) 17.724 10.138 ( 0.000 8.842 0.000) 8.842 10.485 ( 0.000 -0.782 0.000) 0.782 10.523 ( 0.000 -5.297 0.000) 5.297 10.808 ( 0.000 -4.665 0.000) 4.665 11.135 ( 0.000 13.489 0.000) 13.489 11.333 ( 0.000 -12.600 0.000) 12.600 11.725 ( 0.000 -9.619 0.000) 9.619 11.986 ( 0.000 -14.933 0.000) 14.933 12.105 ( 0.000 6.530 0.000) 6.530 12.225 ( 0.000 3.482 0.000) 3.482 12.417 ( 0.000 -4.964 0.000) 4.964 12.623 ( 0.000 4.939 0.000) 4.939 12.816 ( 0.000 11.196 0.000) 11.196 13.204 ( 0.000 -4.880 0.000) 4.880 13.296 ( 0.000 -3.632 0.000) 3.632 14.146 ( 0.000 3.829 0.000) 3.829 14.176 ( 0.000 -5.955 0.000) 5.955 14.806 ( 0.000 2.073 0.000) 2.073 16.068 ( 0.000 4.659 0.000) 4.659 16.748 ( 0.000 -0.795 0.000) 0.795 16.863 ( 0.000 3.527 0.000) 3.527 17.533 ( 0.000 -1.676 0.000) 1.676 18.525 ( 0.000 19.569 0.000) 19.569 19.497 ( 0.000 1.126 0.000) 1.126 19.951 ( 0.000 -0.481 0.000) 0.481 20.031 ( 0.000 1.434 0.000) 1.434 20.333 ( 0.000 -1.178 0.000) 1.178 22.153 ( 0.000 -2.664 0.000) 2.664 22.201 ( 0.000 2.494 0.000) 2.494 23.147 ( 0.000 -2.844 0.000) 2.844 26.404 ( 0.000 1.532 0.000) 1.532 26.455 ( 0.000 1.138 0.000) 1.138 26.828 ( 0.000 -0.483 0.000) 0.483 27.126 ( 0.000 -2.726 0.000) 2.726 34.455 ( 0.000 1.408 0.000) 1.408 34.969 ( 0.000 -5.711 0.000) 5.711 35.351 ( 0.000 13.831 0.000) 13.831 37.509 ( 0.000 1.457 0.000) 1.457 37.829 ( 0.000 -2.518 0.000) 2.518 38.033 ( 0.000 2.733 0.000) 2.733 38.841 ( 0.000 -13.680 0.000) 13.680 39.061 ( 0.000 -5.297 0.000) 5.297 ======================= Grid point 12 (8/120) ======================= q-point: ( 0.09 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 43.259 25.688 0.000) 50.311 1.556 ( 35.752 39.574 0.000) 53.332 2.562 ( 72.952 49.112 0.000) 87.944 4.871 ( 9.236 15.407 0.000) 17.963 5.278 ( -1.284 -19.173 0.000) 19.216 5.532 ( 21.524 5.294 0.000) 22.166 5.913 ( -12.641 3.394 0.000) 13.089 6.368 ( 3.498 -3.361 0.000) 4.851 6.520 ( 5.398 5.609 0.000) 7.784 7.261 ( 10.986 -19.590 0.000) 22.460 7.349 ( -6.166 -20.848 0.000) 21.741 7.982 ( -3.825 -13.298 0.000) 13.837 8.229 ( -10.610 19.857 0.000) 22.514 8.261 ( 0.480 -4.451 0.000) 4.477 8.307 ( -17.057 4.556 0.000) 17.655 8.583 ( -5.903 -4.622 0.000) 7.498 8.879 ( 6.863 17.169 0.000) 18.490 8.968 ( -4.408 -0.768 0.000) 4.474 9.023 ( -5.698 5.555 0.000) 7.958 9.261 ( 7.245 -9.975 0.000) 12.329 9.591 ( -8.251 3.658 0.000) 9.026 9.777 ( 5.549 -15.642 0.000) 16.597 9.908 ( 1.720 7.011 0.000) 7.219 10.057 ( -7.232 9.808 0.000) 12.186 10.128 ( -1.346 -9.478 0.000) 9.573 10.433 ( -2.728 1.330 0.000) 3.035 10.498 ( -2.344 -5.028 0.000) 5.548 10.807 ( -0.126 -4.310 0.000) 4.312 10.903 ( -15.240 19.679 0.000) 24.890 11.398 ( 3.824 -3.855 0.000) 5.430 11.489 ( -6.176 -2.516 0.000) 6.669 11.934 ( -9.318 -11.819 0.000) 15.050 12.062 ( -4.608 12.203 0.000) 13.044 12.242 ( 1.681 3.236 0.000) 3.646 12.283 ( 6.700 -3.618 0.000) 7.615 12.600 ( -2.098 4.813 0.000) 5.250 12.646 ( -7.986 9.703 0.000) 12.566 13.285 ( -0.733 -3.398 0.000) 3.477 13.674 ( 19.385 -10.627 0.000) 22.106 14.142 ( -3.309 -5.785 0.000) 6.665 14.360 ( -6.458 -7.689 0.000) 10.041 15.276 ( 37.465 -43.314 0.000) 57.269 16.158 ( 8.388 4.024 0.000) 9.303 16.779 ( 2.753 -0.095 0.000) 2.755 16.910 ( 4.700 2.725 0.000) 5.433 17.543 ( 0.868 -1.510 0.000) 1.742 18.500 ( -2.419 18.840 0.000) 18.994 19.191 ( -27.000 16.884 0.000) 31.844 19.887 ( -5.695 -1.063 0.000) 5.793 20.037 ( -0.448 0.163 0.000) 0.477 20.139 ( -16.413 -0.208 0.000) 16.415 21.658 ( -62.067 61.467 0.000) 87.352 22.166 ( -2.723 1.534 0.000) 3.125 22.231 ( 0.658 4.275 0.000) 4.325 26.417 ( 1.339 1.099 0.000) 1.733 26.464 ( 2.460 2.607 0.000) 3.585 26.846 ( 1.980 -0.846 0.000) 2.154 27.139 ( 1.119 -2.638 0.000) 2.865 34.501 ( 4.372 1.207 0.000) 4.535 35.005 ( 3.576 -4.754 0.000) 5.949 35.355 ( 0.473 12.741 0.000) 12.750 37.572 ( 6.102 1.524 0.000) 6.289 38.008 ( 0.310 2.564 0.000) 2.583 38.684 ( 30.817 -18.017 0.000) 35.698 38.708 ( -12.813 -13.015 0.000) 18.264 40.251 ( 73.035 -72.028 0.000) 102.578 ======================= Grid point 13 (9/120) ======================= q-point: ( 0.18 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 40.231 31.026 0.000) 50.805 2.369 ( 48.967 14.871 0.000) 51.176 4.198 ( 82.449 23.415 0.000) 85.709 5.119 ( 16.158 13.527 0.000) 21.073 5.201 ( -7.322 -13.485 0.000) 15.344 5.685 ( -7.661 2.989 0.000) 8.223 6.089 ( 30.560 1.893 0.000) 30.619 6.446 ( 2.879 -7.072 0.000) 7.636 6.633 ( 6.880 -4.516 0.000) 8.229 7.172 ( -11.361 -10.571 0.000) 15.518 7.531 ( 13.141 -10.706 0.000) 16.950 7.783 ( -16.052 -8.227 0.000) 18.038 7.953 ( -15.630 20.047 0.000) 25.420 7.993 ( -11.987 -10.547 0.000) 15.966 8.181 ( -8.859 -13.511 0.000) 16.156 8.471 ( -6.938 3.386 0.000) 7.720 8.829 ( -5.664 16.202 0.000) 17.164 8.857 ( -6.712 -2.604 0.000) 7.200 8.984 ( -3.984 20.841 0.000) 21.219 9.268 ( -6.913 -5.165 0.000) 8.629 9.456 ( -5.451 6.171 0.000) 8.234 9.845 ( 1.215 -17.259 0.000) 17.302 9.904 ( -2.707 3.044 0.000) 4.074 9.979 ( 3.515 8.295 0.000) 9.009 10.069 ( -2.119 -2.633 0.000) 3.380 10.402 ( -1.065 1.272 0.000) 1.659 10.436 ( -3.588 -4.664 0.000) 5.884 10.753 ( 0.878 11.478 0.000) 11.512 10.803 ( -0.350 -3.480 0.000) 3.497 11.464 ( -0.309 -10.522 0.000) 10.526 11.465 ( 3.536 -0.265 0.000) 3.545 11.719 ( -9.851 -5.457 0.000) 11.261 11.998 ( -2.478 10.818 0.000) 11.098 12.287 ( 2.643 2.639 0.000) 3.735 12.417 ( 4.920 0.238 0.000) 4.926 12.547 ( -2.959 4.456 0.000) 5.349 12.569 ( 1.231 -2.145 0.000) 2.473 13.281 ( 0.671 -3.023 0.000) 3.097 13.965 ( -1.960 -10.548 0.000) 10.728 14.049 ( -5.656 -5.498 0.000) 7.888 14.064 ( -8.412 -0.910 0.000) 8.461 15.690 ( 3.047 -42.650 0.000) 42.759 16.371 ( 11.785 2.852 0.000) 12.125 16.843 ( 3.303 1.327 0.000) 3.559 17.045 ( 8.269 1.011 0.000) 8.331 17.564 ( 1.082 -1.122 0.000) 1.558 18.430 ( -4.603 16.468 0.000) 17.099 18.669 ( -20.036 20.070 0.000) 28.360 19.697 ( -14.474 -1.010 0.000) 14.509 19.832 ( -10.962 0.872 0.000) 10.996 20.004 ( -2.714 -0.938 0.000) 2.872 20.918 ( -21.051 41.711 0.000) 46.723 22.149 ( -0.087 -2.291 0.000) 2.293 22.255 ( 0.991 3.440 0.000) 3.580 26.461 ( 2.903 0.501 0.000) 2.946 26.529 ( 3.518 2.243 0.000) 4.172 26.902 ( 3.361 -1.274 0.000) 3.595 27.165 ( 1.313 -2.671 0.000) 2.976 34.617 ( 6.697 0.781 0.000) 6.742 35.101 ( 5.068 -0.460 0.000) 5.089 35.387 ( 3.702 7.961 0.000) 8.780 37.742 ( 10.309 1.853 0.000) 10.474 38.061 ( 4.860 3.996 0.000) 6.292 38.349 ( -21.943 -11.319 0.000) 24.690 39.281 ( 30.458 -10.983 0.000) 32.378 41.129 ( 21.881 -47.331 0.000) 52.145 ======================= Grid point 14 (10/120) ======================= q-point: ( 0.27 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 41.649 23.216 0.000) 47.683 3.344 ( 47.128 9.715 0.000) 48.119 5.009 ( -9.533 -5.564 0.000) 11.038 5.361 ( 22.854 14.741 0.000) 27.195 5.618 ( -0.405 -3.586 0.000) 3.608 5.889 ( 64.749 8.900 0.000) 65.358 6.454 ( -1.887 -13.260 0.000) 13.394 6.644 ( 23.057 0.132 0.000) 23.057 6.798 ( 3.551 -17.129 0.000) 17.494 6.921 ( -7.587 6.972 0.000) 10.304 7.345 ( -18.449 9.033 0.000) 20.542 7.638 ( -14.739 18.645 0.000) 23.767 7.755 ( -9.067 -16.786 0.000) 19.078 7.857 ( 10.469 -14.180 0.000) 17.626 7.914 ( -18.719 -2.017 0.000) 18.827 8.219 ( -15.174 -10.016 0.000) 18.182 8.642 ( -17.095 18.139 0.000) 24.925 8.732 ( -7.458 -5.623 0.000) 9.340 8.902 ( 1.004 21.997 0.000) 22.020 9.101 ( -8.379 5.050 0.000) 9.783 9.295 ( -7.902 15.166 0.000) 17.101 9.840 ( -0.980 -9.585 0.000) 9.635 9.932 ( 3.693 -3.909 0.000) 5.377 10.100 ( 4.295 -5.373 0.000) 6.879 10.103 ( 8.112 4.417 0.000) 9.237 10.361 ( -3.639 -4.924 0.000) 6.123 10.412 ( 2.584 2.579 0.000) 3.650 10.788 ( -1.293 -2.662 0.000) 2.960 10.878 ( 10.371 2.362 0.000) 10.637 11.340 ( -9.926 -10.431 0.000) 14.399 11.562 ( 5.592 -1.365 0.000) 5.756 11.654 ( 2.846 -1.566 0.000) 3.249 11.964 ( -0.876 6.339 0.000) 6.399 12.343 ( 2.677 2.006 0.000) 3.345 12.487 ( 2.532 1.470 0.000) 2.927 12.492 ( -2.260 3.925 0.000) 4.529 12.649 ( 4.781 -5.160 0.000) 7.034 13.317 ( 2.894 -2.908 0.000) 4.103 13.502 ( -26.678 -3.543 0.000) 26.912 13.922 ( -6.767 -5.217 0.000) 8.545 14.156 ( 1.311 -8.655 0.000) 8.754 15.490 ( -20.222 -26.899 0.000) 33.653 16.604 ( 10.766 2.038 0.000) 10.957 16.906 ( 2.782 2.150 0.000) 3.516 17.220 ( 8.496 -0.195 0.000) 8.499 17.581 ( 0.453 -0.747 0.000) 0.874 18.314 ( -5.808 10.081 0.000) 11.635 18.420 ( -6.767 11.957 0.000) 13.739 19.397 ( -12.753 1.989 0.000) 12.908 19.651 ( -8.275 -0.935 0.000) 8.327 19.947 ( -2.402 1.470 0.000) 2.816 20.592 ( -13.358 28.389 0.000) 31.375 22.156 ( 0.752 -3.081 0.000) 3.171 22.266 ( 0.078 2.714 0.000) 2.715 26.526 ( 3.305 0.259 0.000) 3.315 26.593 ( 2.679 1.760 0.000) 3.205 26.975 ( 3.673 -1.750 0.000) 4.069 27.185 ( 0.500 -2.744 0.000) 2.789 34.756 ( 6.733 0.754 0.000) 6.775 35.163 ( 0.651 6.346 0.000) 6.379 35.552 ( 12.926 -0.089 0.000) 12.927 37.857 ( -26.145 -9.233 0.000) 27.727 37.966 ( 11.413 2.621 0.000) 11.711 38.184 ( 6.734 5.297 0.000) 8.568 39.899 ( 30.013 -9.806 0.000) 31.574 41.366 ( 4.454 -27.281 0.000) 27.642 ======================= Grid point 15 (11/120) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( 40.573 18.167 0.000) 44.455 4.241 ( 40.694 5.695 0.000) 41.091 4.885 ( -1.945 -4.314 0.000) 4.732 5.610 ( -1.252 -7.386 0.000) 7.492 5.683 ( 6.469 12.895 0.000) 14.426 6.385 ( -5.913 -8.850 0.000) 10.644 6.542 ( 0.610 2.782 0.000) 2.848 6.549 ( -14.018 -3.098 0.000) 14.356 7.074 ( 7.897 8.672 0.000) 11.729 7.099 ( 12.246 -4.214 0.000) 12.951 7.324 ( -21.944 4.149 0.000) 22.332 7.372 ( 15.551 -4.120 0.000) 16.088 7.511 ( -11.563 7.975 0.000) 14.046 7.615 ( 12.875 -6.652 0.000) 14.492 7.977 ( -9.067 -8.824 0.000) 12.652 8.079 ( 8.523 -5.664 0.000) 10.234 8.214 ( -20.859 17.009 0.000) 26.914 8.456 ( -18.740 -6.490 0.000) 19.832 9.013 ( -0.347 10.926 0.000) 10.931 9.016 ( 10.400 14.688 0.000) 17.997 9.179 ( -4.364 16.404 0.000) 16.975 9.824 ( -0.777 -5.269 0.000) 5.326 10.009 ( 3.848 -5.558 0.000) 6.760 10.148 ( -0.503 -5.171 0.000) 5.196 10.227 ( -0.129 -0.293 0.000) 0.320 10.347 ( 5.887 -3.404 0.000) 6.800 10.461 ( -1.769 3.575 0.000) 3.989 10.743 ( -3.252 -2.147 0.000) 3.897 11.151 ( 15.034 -1.677 0.000) 15.128 11.246 ( 5.172 -8.777 0.000) 10.188 11.670 ( 4.540 -2.986 0.000) 5.434 11.756 ( 6.536 -1.553 0.000) 6.718 11.950 ( -0.957 0.557 0.000) 1.107 12.390 ( 1.994 1.689 0.000) 2.613 12.459 ( -1.103 3.262 0.000) 3.443 12.487 ( -4.859 1.797 0.000) 5.181 12.725 ( 2.608 -4.446 0.000) 5.155 13.024 ( -17.787 -3.245 0.000) 18.081 13.396 ( 4.821 -3.151 0.000) 5.760 13.781 ( -7.070 -4.828 0.000) 8.561 14.092 ( -5.605 -8.860 0.000) 10.484 14.969 ( -29.395 -16.640 0.000) 33.778 16.792 ( 7.679 1.776 0.000) 7.882 16.950 ( 1.446 2.392 0.000) 2.795 17.373 ( 6.513 -0.764 0.000) 6.558 17.578 ( -0.792 -0.590 0.000) 0.987 18.238 ( -1.863 4.385 0.000) 4.765 18.315 ( -4.130 6.997 0.000) 8.125 19.227 ( -3.907 2.796 0.000) 4.805 19.487 ( -7.987 -1.422 0.000) 8.112 19.927 ( 0.817 6.215 0.000) 6.268 20.345 ( -11.332 21.735 0.000) 24.512 22.177 ( 1.303 -2.890 0.000) 3.170 22.258 ( -0.792 1.305 0.000) 1.526 26.588 ( 2.726 0.291 0.000) 2.741 26.634 ( 1.369 1.274 0.000) 1.870 27.046 ( 3.341 -2.232 0.000) 4.018 27.182 ( -0.782 -2.775 0.000) 2.883 34.883 ( 5.897 1.658 0.000) 6.126 35.142 ( -2.277 7.009 0.000) 7.370 35.884 ( 19.313 -3.047 0.000) 19.552 37.320 ( -26.599 -7.287 0.000) 27.579 38.180 ( 9.262 3.722 0.000) 9.982 38.307 ( 4.940 5.867 0.000) 7.670 40.463 ( 25.325 -9.829 0.000) 27.166 41.364 ( -4.155 -17.756 0.000) 18.236 ======================= Grid point 16 (12/120) ======================= q-point: ( 0.45 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.776 ( 37.159 14.941 0.000) 40.051 4.873 ( 16.601 -2.841 0.000) 16.842 4.923 ( 4.132 -6.548 0.000) 7.742 5.445 ( -27.026 13.106 0.000) 30.036 5.642 ( 10.290 -1.457 0.000) 10.393 6.051 ( -23.535 3.106 0.000) 23.739 6.518 ( 8.357 -2.433 0.000) 8.705 6.704 ( 16.768 2.883 0.000) 17.014 6.822 ( -21.448 -0.588 0.000) 21.456 7.040 ( -12.516 3.482 0.000) 12.991 7.338 ( 9.016 -6.307 0.000) 11.003 7.405 ( 7.299 -1.993 0.000) 7.566 7.441 ( -1.069 -5.391 0.000) 5.496 7.678 ( -17.798 9.817 0.000) 20.325 7.874 ( 1.281 0.842 0.000) 1.534 8.077 ( -16.749 -1.501 0.000) 16.816 8.189 ( 11.253 4.487 0.000) 12.115 8.238 ( 4.186 0.846 0.000) 4.271 9.041 ( 2.495 11.902 0.000) 12.161 9.102 ( -3.422 14.040 0.000) 14.451 9.381 ( 24.195 4.086 0.000) 24.538 9.755 ( -9.193 -3.351 0.000) 9.785 10.087 ( 3.912 -5.017 0.000) 6.362 10.135 ( 1.807 -1.119 0.000) 2.125 10.166 ( -3.872 -3.926 0.000) 5.514 10.287 ( -12.001 3.725 0.000) 12.566 10.511 ( 8.157 -1.726 0.000) 8.338 10.653 ( -5.798 -1.887 0.000) 6.098 11.404 ( 11.728 -6.916 0.000) 13.615 11.492 ( 7.709 -7.094 0.000) 10.477 11.739 ( 3.860 -3.550 0.000) 5.245 11.843 ( -2.577 0.575 0.000) 2.641 11.981 ( 8.748 -3.797 0.000) 9.537 12.249 ( -15.599 -0.747 0.000) 15.617 12.422 ( 1.217 1.901 0.000) 2.257 12.442 ( -0.765 2.512 0.000) 2.626 12.770 ( 2.282 -3.462 0.000) 4.147 12.829 ( -4.275 -2.377 0.000) 4.891 13.508 ( 6.158 -3.666 0.000) 7.167 13.640 ( -6.872 -4.281 0.000) 8.097 14.064 ( 6.310 -7.930 0.000) 10.134 14.395 ( -24.983 -10.338 0.000) 27.037 16.910 ( 4.048 1.933 0.000) 4.486 16.958 ( -0.835 2.245 0.000) 2.395 17.481 ( 4.230 -0.842 0.000) 4.313 17.547 ( -2.361 -0.683 0.000) 2.458 18.225 ( 0.379 2.724 0.000) 2.750 18.251 ( -2.232 3.607 0.000) 4.242 19.227 ( 3.334 1.160 0.000) 3.530 19.335 ( -6.817 -0.795 0.000) 6.863 19.989 ( 5.319 11.947 0.000) 13.077 20.137 ( -9.119 17.048 0.000) 19.334 22.206 ( 1.525 -1.900 0.000) 2.436 22.236 ( -1.357 -0.378 0.000) 1.409 26.632 ( 1.521 0.509 0.000) 1.604 26.648 ( -0.069 0.848 0.000) 0.851 27.107 ( 2.730 -2.576 0.000) 3.753 27.155 ( -1.909 -2.738 0.000) 3.338 34.992 ( 4.907 3.326 0.000) 5.928 35.080 ( -3.777 5.320 0.000) 6.524 36.312 ( 22.823 -4.373 0.000) 23.238 36.797 ( -25.154 -5.685 0.000) 25.788 38.324 ( 4.749 4.835 0.000) 6.777 38.366 ( 0.570 5.642 0.000) 5.670 40.907 ( 18.530 -10.764 0.000) 21.430 41.207 ( -11.317 -13.064 0.000) 17.284 ======================= Grid point 22 (13/120) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.000 41.527 0.000) 41.527 1.990 ( 0.000 46.716 0.000) 46.716 3.424 ( 0.000 79.410 0.000) 79.410 4.890 ( 0.000 -17.631 0.000) 17.631 5.338 ( 0.000 33.075 0.000) 33.075 5.354 ( 0.000 -0.171 0.000) 0.171 5.780 ( 0.000 -18.999 0.000) 18.999 6.453 ( 0.000 2.389 0.000) 2.389 6.718 ( 0.000 -17.950 0.000) 17.950 6.718 ( 0.000 14.850 0.000) 14.850 6.919 ( 0.000 -19.445 0.000) 19.445 7.735 ( 0.000 -14.298 0.000) 14.298 8.136 ( 0.000 -11.640 0.000) 11.640 8.569 ( 0.000 -18.614 0.000) 18.614 8.621 ( 0.000 5.680 0.000) 5.680 8.766 ( 0.000 12.052 0.000) 12.052 8.770 ( 0.000 2.860 0.000) 2.860 8.799 ( 0.000 -13.713 0.000) 13.713 9.049 ( 0.000 7.540 0.000) 7.540 9.338 ( 0.000 12.697 0.000) 12.697 9.689 ( 0.000 4.752 0.000) 4.752 9.707 ( 0.000 0.002 0.000) 0.002 9.967 ( 0.000 4.389 0.000) 4.389 10.081 ( 0.000 6.840 0.000) 6.840 10.221 ( 0.000 -24.409 0.000) 24.409 10.248 ( 0.000 0.496 0.000) 0.496 10.400 ( 0.000 -4.566 0.000) 4.566 10.718 ( 0.000 -2.784 0.000) 2.784 11.174 ( 0.000 -10.785 0.000) 10.785 11.205 ( 0.000 0.928 0.000) 0.928 11.648 ( 0.000 -16.183 0.000) 16.183 11.668 ( 0.000 3.987 0.000) 3.987 12.212 ( 0.000 4.233 0.000) 4.233 12.288 ( 0.000 -7.283 0.000) 7.283 12.318 ( 0.000 5.275 0.000) 5.275 12.742 ( 0.000 5.524 0.000) 5.524 12.997 ( 0.000 5.820 0.000) 5.820 13.069 ( 0.000 -7.592 0.000) 7.592 13.208 ( 0.000 -3.873 0.000) 3.873 14.010 ( 0.000 -9.741 0.000) 9.741 14.260 ( 0.000 7.054 0.000) 7.054 14.845 ( 0.000 1.156 0.000) 1.156 16.195 ( 0.000 7.226 0.000) 7.226 16.729 ( 0.000 -1.214 0.000) 1.214 16.954 ( 0.000 5.121 0.000) 5.121 17.483 ( 0.000 -3.183 0.000) 3.183 19.025 ( 0.000 25.696 0.000) 25.696 19.532 ( 0.000 2.251 0.000) 2.251 19.938 ( 0.000 -0.738 0.000) 0.738 20.066 ( 0.000 0.997 0.000) 0.997 20.342 ( 0.000 4.198 0.000) 4.198 22.062 ( 0.000 -6.448 0.000) 6.448 22.277 ( 0.000 4.807 0.000) 4.807 23.059 ( 0.000 -5.655 0.000) 5.655 26.448 ( 0.000 2.626 0.000) 2.626 26.489 ( 0.000 2.114 0.000) 2.114 26.814 ( 0.000 -0.894 0.000) 0.894 27.048 ( 0.000 -4.568 0.000) 4.568 34.497 ( 0.000 2.566 0.000) 2.566 34.868 ( 0.000 -4.264 0.000) 4.264 35.695 ( 0.000 19.457 0.000) 19.457 37.550 ( 0.000 2.437 0.000) 2.437 37.777 ( 0.000 -2.339 0.000) 2.339 38.097 ( 0.000 3.501 0.000) 3.501 38.447 ( 0.000 -23.675 0.000) 23.675 38.908 ( 0.000 -9.179 0.000) 9.179 ======================= Grid point 23 (14/120) ======================= q-point: ( 0.09 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 29.190 34.600 0.000) 45.268 2.380 ( 31.578 40.144 0.000) 51.075 3.818 ( 38.845 67.177 0.000) 77.599 4.902 ( 0.926 -16.601 0.000) 16.627 5.295 ( 4.780 20.194 0.000) 20.752 5.655 ( 19.739 8.579 0.000) 21.523 5.754 ( -2.928 -15.945 0.000) 16.211 6.407 ( -3.833 0.831 0.000) 3.922 6.536 ( -11.321 -4.030 0.000) 12.017 6.852 ( 12.498 -16.737 0.000) 20.888 7.067 ( 8.158 -1.984 0.000) 8.396 7.692 ( -4.137 -15.119 0.000) 15.675 8.040 ( -8.188 -14.530 0.000) 16.678 8.446 ( -17.987 8.012 0.000) 19.691 8.565 ( -6.057 6.908 0.000) 9.187 8.620 ( 1.330 -5.542 0.000) 5.699 8.727 ( -1.729 1.955 0.000) 2.610 8.935 ( 3.860 -19.113 0.000) 19.499 9.237 ( 13.358 14.988 0.000) 20.077 9.296 ( -4.453 6.909 0.000) 8.219 9.635 ( -4.429 7.007 0.000) 8.289 9.701 ( -0.033 5.855 0.000) 5.855 10.007 ( 1.742 -0.455 0.000) 1.800 10.033 ( -4.512 3.647 0.000) 5.802 10.197 ( -1.263 -23.496 0.000) 23.530 10.198 ( -4.351 2.205 0.000) 4.878 10.384 ( -1.668 -3.803 0.000) 4.152 10.717 ( -0.014 -3.439 0.000) 3.439 11.126 ( -4.595 8.101 0.000) 9.314 11.212 ( 0.334 -13.422 0.000) 13.426 11.439 ( -7.521 -9.269 0.000) 11.937 11.845 ( 1.938 6.376 0.000) 6.664 12.154 ( 1.452 -6.112 0.000) 6.282 12.263 ( -1.763 3.895 0.000) 4.275 12.331 ( 1.209 5.071 0.000) 5.213 12.717 ( -2.321 5.543 0.000) 6.009 12.820 ( -13.253 6.287 0.000) 14.669 13.203 ( -0.327 -3.733 0.000) 3.747 13.330 ( 17.877 -19.123 0.000) 26.178 13.979 ( -3.022 -9.610 0.000) 10.074 14.279 ( -3.645 1.420 0.000) 3.912 14.899 ( 6.720 -5.914 0.000) 8.952 16.269 ( 7.015 6.411 0.000) 9.503 16.769 ( 3.761 -1.015 0.000) 3.895 16.989 ( 3.407 4.753 0.000) 5.848 17.497 ( 1.298 -2.913 0.000) 3.189 18.967 ( -5.519 23.001 0.000) 23.654 19.366 ( -16.435 5.186 0.000) 17.234 19.871 ( -6.139 -0.553 0.000) 6.164 20.019 ( -6.292 -2.104 0.000) 6.635 20.221 ( -8.128 9.121 0.000) 12.217 21.996 ( -7.807 -4.933 0.000) 9.235 22.287 ( -0.775 5.139 0.000) 5.197 22.566 ( -32.924 16.379 0.000) 36.773 26.452 ( 0.785 2.273 0.000) 2.405 26.519 ( 2.679 2.698 0.000) 3.802 26.825 ( 1.374 -1.132 0.000) 1.780 27.063 ( 1.201 -4.540 0.000) 4.696 34.539 ( 4.026 2.430 0.000) 4.703 34.918 ( 4.963 -3.903 0.000) 6.314 35.679 ( -1.515 18.633 0.000) 18.695 37.616 ( 6.437 2.674 0.000) 6.971 38.086 ( 3.026 5.040 0.000) 5.879 38.284 ( 34.355 -16.853 0.000) 38.266 38.333 ( -11.067 -22.620 0.000) 25.182 39.379 ( 41.148 -24.154 0.000) 47.713 ======================= Grid point 24 (15/120) ======================= q-point: ( 0.18 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 40.593 24.526 0.000) 47.427 3.057 ( 34.251 37.125 0.000) 50.512 4.885 ( 62.066 41.416 0.000) 74.616 4.906 ( -1.228 -13.831 0.000) 13.886 5.487 ( 13.235 20.055 0.000) 24.028 5.652 ( -6.715 -7.544 0.000) 10.099 6.129 ( 26.543 1.306 0.000) 26.575 6.270 ( -9.249 -18.234 0.000) 20.445 6.425 ( 1.394 -2.203 0.000) 2.607 7.144 ( 13.032 -17.100 0.000) 21.500 7.157 ( -0.282 5.613 0.000) 5.620 7.593 ( -4.465 -13.936 0.000) 14.634 7.865 ( -7.929 -16.118 0.000) 17.963 8.086 ( -16.569 16.170 0.000) 23.152 8.343 ( -14.320 17.231 0.000) 22.405 8.536 ( -12.185 -1.605 0.000) 12.291 8.698 ( -2.799 -7.319 0.000) 7.836 9.027 ( 5.461 -7.945 0.000) 9.640 9.208 ( -2.109 2.061 0.000) 2.949 9.390 ( -3.119 15.452 0.000) 15.764 9.560 ( -0.413 3.939 0.000) 3.960 9.695 ( -1.680 11.777 0.000) 11.896 9.925 ( -4.991 0.403 0.000) 5.007 10.007 ( -0.350 -3.675 0.000) 3.691 10.123 ( -1.618 2.514 0.000) 2.989 10.208 ( 2.908 -19.244 0.000) 19.462 10.333 ( -3.323 -3.063 0.000) 4.520 10.718 ( 0.107 -4.219 0.000) 4.220 11.034 ( -3.657 13.933 0.000) 14.405 11.177 ( -4.234 -16.159 0.000) 16.705 11.374 ( 1.022 -8.763 0.000) 8.823 11.788 ( -3.821 11.033 0.000) 11.676 12.189 ( -3.604 5.692 0.000) 6.737 12.328 ( 9.583 -7.083 0.000) 11.917 12.363 ( 1.925 4.522 0.000) 4.915 12.577 ( -8.620 1.720 0.000) 8.790 12.656 ( -3.463 5.421 0.000) 6.433 13.206 ( 0.898 -3.629 0.000) 3.739 13.597 ( 4.328 -23.965 0.000) 24.353 13.893 ( -5.308 -9.294 0.000) 10.703 14.067 ( -12.927 1.800 0.000) 13.051 15.033 ( 2.716 -20.507 0.000) 20.686 16.452 ( 10.404 4.827 0.000) 11.470 16.863 ( 4.986 0.127 0.000) 4.987 17.087 ( 6.099 3.160 0.000) 6.869 17.529 ( 1.651 -2.303 0.000) 2.834 18.813 ( -9.726 17.237 0.000) 19.792 18.937 ( -22.303 8.151 0.000) 23.745 19.696 ( -11.385 0.982 0.000) 11.427 19.820 ( -10.384 -1.057 0.000) 10.438 20.130 ( -1.714 12.341 0.000) 12.460 21.624 ( -24.936 20.222 0.000) 32.105 22.130 ( -5.250 2.911 0.000) 6.004 22.345 ( -0.474 5.325 0.000) 5.346 26.486 ( 2.421 1.836 0.000) 3.038 26.581 ( 3.062 2.515 0.000) 3.962 26.869 ( 2.718 -1.826 0.000) 3.274 27.089 ( 1.244 -4.524 0.000) 4.691 34.649 ( 6.550 2.330 0.000) 6.952 35.067 ( 9.606 -2.729 0.000) 9.986 35.638 ( -2.341 15.916 0.000) 16.088 37.799 ( 11.344 3.744 0.000) 11.946 38.021 ( -19.179 -19.897 0.000) 27.636 38.182 ( 6.890 7.649 0.000) 10.294 38.972 ( 33.161 -17.603 0.000) 37.544 40.204 ( 34.442 -38.084 0.000) 51.348 ======================= Grid point 25 (16/120) ======================= q-point: ( 0.27 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( 41.459 16.983 0.000) 44.802 3.761 ( 35.611 33.182 0.000) 48.674 4.838 ( -5.148 -10.199 0.000) 11.425 5.517 ( -6.323 -6.974 0.000) 9.414 5.758 ( 16.941 21.804 0.000) 27.611 6.136 ( -2.694 -17.913 0.000) 18.114 6.150 ( 51.926 15.157 0.000) 54.093 6.505 ( 4.584 -8.333 0.000) 9.510 6.698 ( 31.454 3.400 0.000) 31.637 7.060 ( -7.331 5.328 0.000) 9.062 7.198 ( -7.429 -13.103 0.000) 15.063 7.521 ( -6.130 -11.343 0.000) 12.894 7.721 ( -8.283 -12.533 0.000) 15.023 7.923 ( 4.521 19.736 0.000) 20.247 7.993 ( -21.727 11.042 0.000) 24.372 8.195 ( -16.023 8.375 0.000) 18.080 8.576 ( -9.652 -7.876 0.000) 12.457 9.032 ( -15.181 18.612 0.000) 24.018 9.210 ( 1.090 4.331 0.000) 4.466 9.242 ( 0.762 -2.380 0.000) 2.499 9.568 ( 0.138 -0.700 0.000) 0.713 9.613 ( -5.486 12.908 0.000) 14.025 9.874 ( -0.166 -0.266 0.000) 0.314 10.043 ( 3.257 -3.787 0.000) 4.994 10.156 ( 4.243 -2.306 0.000) 4.829 10.258 ( -3.628 -1.436 0.000) 3.901 10.331 ( 9.112 -10.625 0.000) 13.997 10.713 ( -0.818 -4.416 0.000) 4.491 10.976 ( -2.587 -1.580 0.000) 3.031 11.096 ( -1.518 -3.947 0.000) 4.229 11.442 ( 4.687 -6.867 0.000) 8.314 11.737 ( -1.050 5.807 0.000) 5.901 12.078 ( -6.479 4.387 0.000) 7.824 12.404 ( 2.078 3.850 0.000) 4.375 12.505 ( 6.466 -4.669 0.000) 7.976 12.512 ( 1.630 -3.251 0.000) 3.637 12.589 ( -3.012 4.922 0.000) 5.771 13.242 ( 2.685 -3.870 0.000) 4.710 13.362 ( -22.859 -11.184 0.000) 25.448 13.774 ( -6.277 -8.785 0.000) 10.797 13.951 ( -1.618 -8.899 0.000) 9.045 14.932 ( -12.709 -24.095 0.000) 27.242 16.663 ( 10.063 3.655 0.000) 10.706 16.954 ( 3.805 1.967 0.000) 4.283 17.223 ( 6.988 0.771 0.000) 7.030 17.556 ( 0.834 -1.742 0.000) 1.932 18.535 ( -13.702 9.507 0.000) 16.677 18.634 ( -10.377 8.120 0.000) 13.176 19.456 ( -10.917 3.386 0.000) 11.430 19.631 ( -8.778 -0.671 0.000) 8.804 20.129 ( 1.631 15.404 0.000) 15.490 21.176 ( -19.132 25.140 0.000) 31.592 22.087 ( -0.260 -3.093 0.000) 3.104 22.327 ( -1.622 3.040 0.000) 3.445 26.543 ( 3.086 1.439 0.000) 3.405 26.634 ( 2.168 2.058 0.000) 2.990 26.927 ( 2.958 -2.651 0.000) 3.972 27.107 ( 0.446 -4.576 0.000) 4.598 34.793 ( 7.520 2.935 0.000) 8.073 35.276 ( 9.160 2.120 0.000) 9.402 35.612 ( 1.636 8.167 0.000) 8.329 37.587 ( -23.237 -16.475 0.000) 28.484 38.051 ( 13.014 5.660 0.000) 14.192 38.340 ( 8.011 9.582 0.000) 12.489 39.619 ( 30.534 -16.528 0.000) 34.720 40.706 ( 16.074 -33.496 0.000) 37.153 ======================= Grid point 26 (17/120) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.394 ( 32.004 8.230 0.000) 33.045 4.485 ( 35.982 28.522 0.000) 45.915 4.743 ( -3.106 -9.171 0.000) 9.682 5.422 ( -0.724 -9.612 0.000) 9.639 6.036 ( 6.591 19.714 0.000) 20.787 6.175 ( 5.611 -10.020 0.000) 11.484 6.496 ( -7.338 -2.307 0.000) 7.692 6.665 ( 0.953 9.831 0.000) 9.877 6.999 ( 3.697 -5.449 0.000) 6.585 7.054 ( 7.569 -16.715 0.000) 18.349 7.326 ( -4.196 6.140 0.000) 7.437 7.350 ( -28.791 -2.974 0.000) 28.945 7.609 ( -13.011 2.349 0.000) 13.222 7.624 ( 39.014 5.982 0.000) 39.470 8.000 ( -4.706 11.413 0.000) 12.346 8.120 ( 10.661 10.770 0.000) 15.154 8.325 ( -14.091 -4.983 0.000) 14.946 8.566 ( -25.164 16.033 0.000) 29.838 9.238 ( 1.973 8.309 0.000) 8.540 9.323 ( 4.371 10.320 0.000) 11.207 9.505 ( -5.210 12.949 0.000) 13.958 9.599 ( 2.977 -11.067 0.000) 11.460 9.902 ( 2.706 -2.738 0.000) 3.849 10.079 ( 0.252 -3.367 0.000) 3.376 10.152 ( -4.235 -6.196 0.000) 7.505 10.307 ( 7.518 -0.252 0.000) 7.522 10.483 ( 1.354 -3.209 0.000) 3.483 10.678 ( -2.881 -4.229 0.000) 5.117 11.009 ( 8.973 -12.678 0.000) 15.533 11.156 ( 7.336 2.615 0.000) 7.788 11.537 ( 4.383 -7.206 0.000) 8.434 11.756 ( 3.244 -1.106 0.000) 3.428 11.950 ( -6.145 0.156 0.000) 6.147 12.444 ( 1.829 3.375 0.000) 3.839 12.510 ( -7.280 -0.817 0.000) 7.326 12.539 ( -1.935 4.179 0.000) 4.606 12.594 ( 3.597 -7.639 0.000) 8.444 12.919 ( -16.384 -6.816 0.000) 17.745 13.312 ( 4.180 -4.541 0.000) 6.172 13.646 ( -6.323 -7.954 0.000) 10.161 13.890 ( -3.598 -9.202 0.000) 9.881 14.569 ( -21.402 -19.794 0.000) 29.152 16.844 ( 7.605 3.198 0.000) 8.250 17.010 ( 1.705 3.107 0.000) 3.544 17.355 ( 5.907 -0.818 0.000) 5.964 17.557 ( -0.736 -1.475 0.000) 1.648 18.348 ( -5.405 5.550 0.000) 7.747 18.446 ( -7.921 4.986 0.000) 9.360 19.291 ( -4.992 3.149 0.000) 5.902 19.463 ( -7.793 -0.737 0.000) 7.828 20.200 ( 5.425 18.861 0.000) 19.626 20.836 ( -15.033 24.008 0.000) 28.326 22.103 ( 1.738 -4.123 0.000) 4.475 22.280 ( -2.869 0.699 0.000) 2.953 26.603 ( 2.751 1.228 0.000) 3.012 26.666 ( 0.927 1.671 0.000) 1.911 26.985 ( 2.729 -3.472 0.000) 4.416 27.104 ( -0.756 -4.566 0.000) 4.628 34.947 ( 7.652 4.504 0.000) 8.879 35.333 ( -2.812 10.786 0.000) 11.147 35.800 ( 16.073 -4.585 0.000) 16.714 37.106 ( -24.064 -13.183 0.000) 27.438 38.298 ( 10.901 7.753 0.000) 13.377 38.479 ( 5.198 10.494 0.000) 11.710 40.181 ( 24.712 -16.721 0.000) 29.837 40.890 ( 2.905 -26.419 0.000) 26.578 ======================= Grid point 27 (18/120) ======================= q-point: ( 0.45 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.728 ( 2.450 -11.435 0.000) 11.695 4.756 ( 2.694 -9.009 0.000) 9.403 5.195 ( 33.892 24.484 0.000) 41.811 5.653 ( 23.681 3.355 0.000) 23.918 5.814 ( -25.473 21.432 0.000) 33.290 6.136 ( -18.231 4.800 0.000) 18.852 6.432 ( 10.068 -5.130 0.000) 11.300 6.778 ( -23.890 -4.396 0.000) 24.291 6.781 ( 12.870 4.429 0.000) 13.610 7.045 ( -11.091 -3.613 0.000) 11.665 7.165 ( 10.048 -8.098 0.000) 12.905 7.376 ( -10.708 -2.209 0.000) 10.933 7.457 ( 18.806 6.668 0.000) 19.953 7.891 ( -20.116 9.833 0.000) 22.391 7.963 ( 1.134 7.938 0.000) 8.019 8.070 ( -9.695 1.937 0.000) 9.887 8.307 ( 10.175 7.438 0.000) 12.604 8.354 ( 4.158 10.552 0.000) 11.342 9.300 ( 4.165 10.610 0.000) 11.398 9.398 ( -5.319 12.256 0.000) 13.361 9.461 ( 9.657 2.736 0.000) 10.037 9.617 ( -3.439 -8.549 0.000) 9.215 9.973 ( 4.145 -4.425 0.000) 6.063 10.062 ( -4.518 -5.106 0.000) 6.818 10.133 ( 7.652 -0.373 0.000) 7.661 10.358 ( -11.383 1.626 0.000) 11.498 10.464 ( 7.417 -2.738 0.000) 7.906 10.594 ( -5.382 -3.745 0.000) 6.557 11.241 ( 10.299 -8.864 0.000) 13.588 11.328 ( 4.398 -6.707 0.000) 8.021 11.631 ( 6.453 -6.543 0.000) 9.190 11.785 ( -6.315 -7.478 0.000) 9.787 11.920 ( 9.219 -0.590 0.000) 9.238 12.206 ( -17.530 -3.428 0.000) 17.862 12.478 ( 1.513 3.270 0.000) 3.603 12.507 ( -1.418 3.549 0.000) 3.822 12.659 ( 2.839 -7.380 0.000) 7.908 12.735 ( -5.190 -6.848 0.000) 8.592 13.408 ( 5.250 -5.594 0.000) 7.672 13.522 ( -5.940 -6.823 0.000) 9.046 13.893 ( 5.903 -7.296 0.000) 9.385 14.148 ( -18.446 -12.033 0.000) 22.024 16.965 ( 4.319 3.242 0.000) 5.400 17.018 ( -1.044 3.382 0.000) 3.539 17.457 ( 4.209 -1.401 0.000) 4.436 17.525 ( -2.499 -1.460 0.000) 2.894 18.293 ( -0.430 3.485 0.000) 3.511 18.327 ( -3.782 3.333 0.000) 5.041 19.255 ( 1.185 1.466 0.000) 1.885 19.326 ( -5.469 -0.063 0.000) 5.470 20.347 ( 9.086 21.240 0.000) 23.102 20.562 ( -12.171 22.710 0.000) 25.766 22.152 ( 2.932 -3.386 0.000) 4.479 22.216 ( -3.330 -1.608 0.000) 3.698 26.649 ( 1.730 1.223 0.000) 2.118 26.671 ( -0.411 1.386 0.000) 1.446 27.036 ( 2.358 -4.084 0.000) 4.716 27.078 ( -1.753 -4.426 0.000) 4.761 35.098 ( 7.242 6.801 0.000) 9.934 35.234 ( -6.174 9.410 0.000) 11.254 36.182 ( 20.964 -7.956 0.000) 22.423 36.629 ( -23.079 -10.378 0.000) 25.305 38.472 ( 6.003 9.423 0.000) 11.172 38.533 ( -0.040 10.388 0.000) 10.388 40.600 ( 16.570 -18.173 0.000) 24.593 40.843 ( -7.359 -21.258 0.000) 22.496 ======================= Grid point 33 (19/120) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 0.000 39.905 0.000) 39.905 2.925 ( 0.000 43.770 0.000) 43.770 4.539 ( 0.000 -18.336 0.000) 18.336 4.850 ( 0.000 32.864 0.000) 32.864 5.338 ( 0.000 22.884 0.000) 22.884 5.422 ( 0.000 -12.534 0.000) 12.534 6.064 ( 0.000 36.079 0.000) 36.079 6.170 ( 0.000 -24.419 0.000) 24.419 6.529 ( 0.000 1.000 0.000) 1.000 6.886 ( 0.000 11.347 0.000) 11.347 7.006 ( 0.000 13.322 0.000) 13.322 7.409 ( 0.000 -17.042 0.000) 17.042 7.848 ( 0.000 -15.298 0.000) 15.298 8.094 ( 0.000 -23.055 0.000) 23.055 8.250 ( 0.000 -32.052 0.000) 32.052 8.680 ( 0.000 -17.255 0.000) 17.255 8.819 ( 0.000 12.604 0.000) 12.604 9.092 ( 0.000 15.797 0.000) 15.797 9.299 ( 0.000 10.976 0.000) 10.976 9.494 ( 0.000 -21.721 0.000) 21.721 9.584 ( 0.000 9.652 0.000) 9.652 9.650 ( 0.000 -6.474 0.000) 6.474 10.055 ( 0.000 13.737 0.000) 13.737 10.060 ( 0.000 -6.533 0.000) 6.533 10.179 ( 0.000 -5.247 0.000) 5.247 10.201 ( 0.000 15.422 0.000) 15.422 10.443 ( 0.000 7.022 0.000) 7.022 10.699 ( 0.000 -0.111 0.000) 0.111 10.868 ( 0.000 -15.659 0.000) 15.659 11.139 ( 0.000 -11.950 0.000) 11.950 11.453 ( 0.000 -0.743 0.000) 0.743 11.692 ( 0.000 -3.803 0.000) 3.803 12.151 ( 0.000 -4.569 0.000) 4.569 12.286 ( 0.000 2.141 0.000) 2.141 12.434 ( 0.000 5.947 0.000) 5.947 12.791 ( 0.000 -1.825 0.000) 1.825 12.935 ( 0.000 -3.972 0.000) 3.972 13.057 ( 0.000 0.189 0.000) 0.189 13.196 ( 0.000 3.823 0.000) 3.823 13.790 ( 0.000 -11.228 0.000) 11.228 14.425 ( 0.000 8.673 0.000) 8.673 14.837 ( 0.000 -2.179 0.000) 2.179 16.351 ( 0.000 7.630 0.000) 7.630 16.691 ( 0.000 -2.633 0.000) 2.633 17.068 ( 0.000 5.787 0.000) 5.787 17.404 ( 0.000 -4.412 0.000) 4.412 19.455 ( 0.000 14.206 0.000) 14.206 19.586 ( 0.000 2.868 0.000) 2.868 19.924 ( 0.000 -0.513 0.000) 0.513 20.037 ( 0.000 -3.291 0.000) 3.291 20.599 ( 0.000 20.575 0.000) 20.575 21.875 ( 0.000 -12.000 0.000) 12.000 22.397 ( 0.000 6.829 0.000) 6.829 22.917 ( 0.000 -8.006 0.000) 8.006 26.507 ( 0.000 2.912 0.000) 2.912 26.537 ( 0.000 2.410 0.000) 2.410 26.795 ( 0.000 -0.785 0.000) 0.785 26.946 ( 0.000 -5.075 0.000) 5.075 34.558 ( 0.000 3.325 0.000) 3.325 34.786 ( 0.000 -3.818 0.000) 3.818 36.149 ( 0.000 24.424 0.000) 24.424 37.604 ( 0.000 2.691 0.000) 2.691 37.735 ( 0.000 -1.782 0.000) 1.782 37.899 ( 0.000 -28.710 0.000) 28.710 38.182 ( 0.000 4.864 0.000) 4.864 38.699 ( 0.000 -10.707 0.000) 10.707 ======================= Grid point 34 (20/120) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 20.531 36.153 0.000) 41.576 3.206 ( 25.068 39.599 0.000) 46.867 4.583 ( 3.893 -15.969 0.000) 16.437 5.045 ( 19.102 23.839 0.000) 30.548 5.413 ( -0.703 -13.681 0.000) 13.699 5.499 ( 15.770 27.177 0.000) 31.421 6.050 ( -10.920 -23.829 0.000) 26.212 6.070 ( 2.521 27.124 0.000) 27.241 6.714 ( 15.346 5.541 0.000) 16.316 6.721 ( -9.402 14.133 0.000) 16.975 7.184 ( 10.045 9.769 0.000) 14.012 7.362 ( -3.704 -16.501 0.000) 16.912 7.718 ( -9.858 -16.275 0.000) 19.028 8.181 ( 5.528 -21.675 0.000) 22.369 8.328 ( 7.036 -29.384 0.000) 30.214 8.594 ( -6.874 -6.621 0.000) 9.545 8.799 ( -3.147 11.856 0.000) 12.266 9.023 ( -6.418 16.036 0.000) 17.272 9.404 ( 9.087 -5.744 0.000) 10.750 9.405 ( -10.200 1.772 0.000) 10.353 9.575 ( 6.113 -12.821 0.000) 14.204 9.777 ( 5.189 -0.306 0.000) 5.198 9.994 ( -4.987 16.945 0.000) 17.663 10.026 ( -3.064 -2.880 0.000) 4.205 10.134 ( -3.501 -4.600 0.000) 5.781 10.176 ( -2.931 12.925 0.000) 13.253 10.427 ( -1.789 5.853 0.000) 6.120 10.675 ( -1.955 -1.187 0.000) 2.287 10.866 ( -0.636 -16.438 0.000) 16.450 11.138 ( -0.370 -13.680 0.000) 13.685 11.365 ( -3.869 7.924 0.000) 8.819 11.869 ( 12.620 -8.666 0.000) 15.309 12.101 ( -4.369 2.041 0.000) 4.822 12.285 ( -0.312 -0.669 0.000) 0.738 12.444 ( 0.884 5.819 0.000) 5.886 12.775 ( -1.490 -0.971 0.000) 1.778 12.875 ( -10.911 -1.480 0.000) 11.011 13.027 ( 2.819 -7.856 0.000) 8.346 13.185 ( -0.930 3.144 0.000) 3.278 13.761 ( -2.827 -11.162 0.000) 11.515 14.378 ( -6.201 7.110 0.000) 9.434 14.810 ( -2.139 -4.280 0.000) 4.785 16.410 ( 5.628 6.965 0.000) 8.955 16.733 ( 4.006 -2.627 0.000) 4.790 17.098 ( 2.844 5.647 0.000) 6.323 17.424 ( 1.828 -4.139 0.000) 4.525 19.314 ( -12.056 9.712 0.000) 15.481 19.469 ( -13.284 4.382 0.000) 13.988 19.869 ( -4.812 0.476 0.000) 4.835 19.970 ( -6.471 -2.324 0.000) 6.876 20.545 ( -3.752 22.006 0.000) 22.324 21.821 ( -4.873 -11.779 0.000) 12.747 22.404 ( -0.142 6.303 0.000) 6.304 22.722 ( -16.272 0.945 0.000) 16.299 26.507 ( 0.559 2.909 0.000) 2.962 26.571 ( 2.574 2.140 0.000) 3.348 26.803 ( 0.991 -0.790 0.000) 1.267 26.962 ( 1.265 -5.053 0.000) 5.208 34.600 ( 4.003 3.392 0.000) 5.246 34.839 ( 5.223 -3.864 0.000) 6.497 36.117 ( -3.141 23.626 0.000) 23.834 37.680 ( 7.509 3.489 0.000) 8.280 37.807 ( -8.871 -27.582 0.000) 28.973 38.018 ( 24.298 -9.396 0.000) 26.052 38.222 ( 5.656 7.901 0.000) 9.717 38.984 ( 25.112 -16.386 0.000) 29.985 ======================= Grid point 35 (21/120) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 31.945 28.463 0.000) 42.786 3.803 ( 31.836 35.082 0.000) 47.374 4.658 ( 2.284 -10.542 0.000) 10.787 5.405 ( -0.357 -13.968 0.000) 13.972 5.563 ( 29.211 -1.663 0.000) 29.258 5.796 ( -11.807 -23.601 0.000) 26.390 5.929 ( 23.442 35.939 0.000) 42.908 6.246 ( 18.380 18.025 0.000) 25.743 6.558 ( -6.284 11.452 0.000) 13.062 7.031 ( 13.885 7.329 0.000) 15.701 7.295 ( -2.726 5.769 0.000) 6.380 7.310 ( -0.492 -11.892 0.000) 11.903 7.545 ( -3.926 -13.168 0.000) 13.740 8.239 ( -1.540 -18.804 0.000) 18.866 8.423 ( -3.890 9.327 0.000) 10.106 8.546 ( 8.930 -27.526 0.000) 28.938 8.639 ( -12.602 11.843 0.000) 17.294 8.851 ( -10.548 14.659 0.000) 18.059 9.241 ( -5.189 -0.950 0.000) 5.275 9.603 ( 9.363 -24.777 0.000) 26.488 9.629 ( -4.623 3.140 0.000) 5.588 9.812 ( -1.666 -4.376 0.000) 4.683 9.917 ( 0.066 19.647 0.000) 19.647 9.955 ( -3.090 3.587 0.000) 4.735 10.096 ( 0.248 0.232 0.000) 0.340 10.102 ( -3.002 9.297 0.000) 9.769 10.367 ( -3.905 4.167 0.000) 5.711 10.637 ( -1.621 -3.713 0.000) 4.052 10.807 ( -5.378 -17.910 0.000) 18.700 11.154 ( 2.496 -9.502 0.000) 9.825 11.336 ( 0.168 11.771 0.000) 11.772 11.972 ( -5.650 0.181 0.000) 5.653 12.136 ( 10.119 -3.472 0.000) 10.698 12.270 ( -1.359 -1.651 0.000) 2.139 12.467 ( 1.310 5.401 0.000) 5.558 12.600 ( -12.650 0.672 0.000) 12.668 12.732 ( -2.777 0.913 0.000) 2.924 13.106 ( 2.371 -20.247 0.000) 20.385 13.171 ( -0.142 1.264 0.000) 1.272 13.681 ( -4.842 -10.829 0.000) 11.862 14.154 ( -14.669 6.651 0.000) 16.106 14.738 ( -6.207 -10.733 0.000) 12.399 16.562 ( 8.905 5.597 0.000) 10.518 16.840 ( 6.264 -2.258 0.000) 6.659 17.173 ( 4.322 4.949 0.000) 6.570 17.469 ( 2.323 -3.537 0.000) 4.231 19.026 ( -15.824 4.771 0.000) 16.528 19.089 ( -21.008 5.680 0.000) 21.762 19.732 ( -9.107 2.190 0.000) 9.367 19.804 ( -8.978 -0.512 0.000) 8.993 20.501 ( -0.204 22.630 0.000) 22.631 21.692 ( -7.874 -8.186 0.000) 11.359 22.301 ( -12.184 9.542 0.000) 15.476 22.460 ( -5.423 5.004 0.000) 7.379 26.534 ( 2.044 2.759 0.000) 3.434 26.625 ( 2.621 1.605 0.000) 3.074 26.835 ( 1.949 -1.180 0.000) 2.278 26.988 ( 1.234 -4.994 0.000) 5.145 34.713 ( 7.029 3.825 0.000) 8.002 34.995 ( 10.110 -4.147 0.000) 10.928 36.026 ( -5.748 21.347 0.000) 22.107 37.556 ( -15.626 -24.617 0.000) 29.158 37.898 ( 13.621 5.852 0.000) 14.824 38.350 ( 10.245 5.953 0.000) 11.849 38.642 ( 31.469 -10.608 0.000) 33.208 39.562 ( 28.846 -25.737 0.000) 38.659 ======================= Grid point 36 (22/120) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( 32.892 19.775 0.000) 38.379 4.449 ( 32.101 32.560 0.000) 45.723 4.641 ( -3.761 -7.733 0.000) 8.599 5.318 ( -8.305 -11.227 0.000) 13.965 5.733 ( 7.151 -20.309 0.000) 21.531 6.082 ( 20.231 -3.568 0.000) 20.543 6.336 ( 19.493 7.347 0.000) 20.831 6.479 ( -1.570 4.871 0.000) 5.118 6.821 ( 27.806 17.111 0.000) 32.649 7.095 ( -13.008 -3.937 0.000) 13.591 7.224 ( 4.518 1.277 0.000) 4.695 7.389 ( 13.244 12.440 0.000) 18.170 7.520 ( -3.385 -3.597 0.000) 4.940 8.035 ( -18.749 -7.199 0.000) 20.083 8.367 ( 0.367 19.839 0.000) 19.843 8.390 ( -9.834 8.026 0.000) 12.694 8.612 ( -12.471 13.068 0.000) 18.064 8.768 ( 10.336 -29.984 0.000) 31.715 9.201 ( 0.922 -4.885 0.000) 4.971 9.362 ( -18.148 9.974 0.000) 20.708 9.723 ( -5.954 -4.887 0.000) 7.703 9.751 ( 4.251 -14.280 0.000) 14.899 9.947 ( 1.652 6.400 0.000) 6.610 9.961 ( 0.767 16.848 0.000) 16.866 10.109 ( 0.220 3.326 0.000) 3.333 10.145 ( 8.646 -2.897 0.000) 9.118 10.295 ( -2.371 2.408 0.000) 3.379 10.608 ( -1.476 -5.792 0.000) 5.977 10.693 ( -4.059 -15.857 0.000) 16.368 11.202 ( 1.346 -4.855 0.000) 5.038 11.356 ( 1.901 6.996 0.000) 7.249 11.853 ( -5.424 3.469 0.000) 6.438 12.125 ( -9.994 0.198 0.000) 9.996 12.317 ( 4.586 -9.782 0.000) 10.804 12.494 ( 1.384 4.713 0.000) 4.912 12.502 ( 2.209 -0.361 0.000) 2.238 12.671 ( -3.048 2.348 0.000) 3.848 13.035 ( -10.507 -18.123 0.000) 20.949 13.185 ( 1.536 -0.917 0.000) 1.789 13.576 ( -5.381 -9.996 0.000) 11.353 13.882 ( -10.095 2.552 0.000) 10.413 14.530 ( -14.191 -15.641 0.000) 21.120 16.749 ( 9.191 4.457 0.000) 10.215 16.967 ( 5.825 -0.910 0.000) 5.895 17.263 ( 4.493 3.219 0.000) 5.527 17.507 ( 1.310 -2.959 0.000) 3.236 18.681 ( -15.574 4.958 0.000) 16.344 18.750 ( -13.638 3.271 0.000) 14.025 19.524 ( -10.324 3.063 0.000) 10.769 19.623 ( -8.951 -0.305 0.000) 8.956 20.535 ( 3.505 22.472 0.000) 22.743 21.498 ( -11.342 3.434 0.000) 11.851 22.090 ( -6.706 5.303 0.000) 8.549 22.378 ( -4.360 1.502 0.000) 4.611 26.584 ( 2.725 2.430 0.000) 3.651 26.672 ( 1.908 1.374 0.000) 2.351 26.875 ( 1.977 -2.046 0.000) 2.845 27.006 ( 0.445 -4.973 0.000) 4.993 34.875 ( 8.913 4.996 0.000) 10.217 35.238 ( 13.643 -4.527 0.000) 14.374 35.893 ( -7.169 17.585 0.000) 18.990 37.198 ( -19.371 -20.766 0.000) 28.398 38.201 ( 15.631 8.827 0.000) 17.951 38.559 ( 9.886 10.463 0.000) 14.395 39.273 ( 29.934 -14.904 0.000) 33.439 40.059 ( 19.510 -28.614 0.000) 34.632 ======================= Grid point 37 (23/120) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.505 ( 7.026 -0.902 0.000) 7.083 4.557 ( -0.372 -6.068 0.000) 6.079 5.097 ( 32.036 29.462 0.000) 43.524 5.292 ( 12.688 -0.434 0.000) 12.695 5.973 ( 14.264 -10.501 0.000) 17.713 6.375 ( 7.812 6.761 0.000) 10.331 6.466 ( -1.654 0.239 0.000) 1.672 6.708 ( 14.809 -10.303 0.000) 18.040 6.861 ( -8.651 -8.178 0.000) 11.905 6.976 ( -5.615 19.486 0.000) 20.279 7.293 ( -19.348 0.078 0.000) 19.348 7.321 ( 8.682 -3.938 0.000) 9.533 7.634 ( -17.878 -1.954 0.000) 17.985 7.935 ( 29.299 21.721 0.000) 36.473 8.232 ( -5.997 7.517 0.000) 9.616 8.373 ( -10.598 12.042 0.000) 16.041 8.435 ( 5.032 16.638 0.000) 17.382 8.741 ( -16.407 -6.191 0.000) 17.537 9.185 ( 6.652 -5.402 0.000) 8.570 9.261 ( 4.590 -5.287 0.000) 7.001 9.608 ( -5.353 -4.503 0.000) 6.995 9.759 ( -4.101 13.163 0.000) 13.787 9.940 ( -0.469 -9.192 0.000) 9.204 9.973 ( 0.687 8.393 0.000) 8.421 10.092 ( -1.936 3.139 0.000) 3.688 10.303 ( 3.308 -0.582 0.000) 3.359 10.326 ( 4.923 -9.380 0.000) 10.594 10.569 ( -2.573 -6.290 0.000) 6.796 10.756 ( 11.899 -10.545 0.000) 15.899 11.213 ( 0.419 -4.229 0.000) 4.250 11.416 ( 4.172 1.011 0.000) 4.292 11.764 ( -3.630 2.462 0.000) 4.386 11.930 ( -7.610 -2.649 0.000) 8.058 12.334 ( -5.104 -13.009 0.000) 13.974 12.522 ( 1.336 3.964 0.000) 4.183 12.527 ( -1.654 -0.988 0.000) 1.927 12.616 ( -2.290 2.864 0.000) 3.667 12.757 ( -12.896 -8.253 0.000) 15.311 13.230 ( 2.829 -2.869 0.000) 4.030 13.471 ( -4.972 -8.578 0.000) 9.915 13.766 ( -2.041 -2.061 0.000) 2.901 14.212 ( -15.830 -14.500 0.000) 21.467 16.918 ( 7.325 3.829 0.000) 8.265 17.060 ( 3.121 1.242 0.000) 3.359 17.351 ( 4.126 0.722 0.000) 4.188 17.516 ( -0.504 -2.531 0.000) 2.581 18.449 ( -7.687 4.026 0.000) 8.678 18.516 ( -9.321 2.007 0.000) 9.534 19.352 ( -6.159 2.736 0.000) 6.739 19.453 ( -7.630 -0.446 0.000) 7.644 20.638 ( 6.601 22.106 0.000) 23.071 21.252 ( -12.500 13.985 0.000) 18.757 22.029 ( 0.033 -1.842 0.000) 1.843 22.277 ( -5.510 -1.348 0.000) 5.672 26.638 ( 2.533 2.091 0.000) 3.284 26.700 ( 0.815 1.499 0.000) 1.707 26.914 ( 1.835 -3.119 0.000) 3.618 27.004 ( -0.629 -4.868 0.000) 4.908 35.066 ( 9.862 6.955 0.000) 12.068 35.501 ( 8.890 1.004 0.000) 8.946 35.777 ( -0.824 6.830 0.000) 6.880 36.792 ( -20.551 -16.894 0.000) 26.603 38.496 ( 13.008 11.293 0.000) 17.226 38.723 ( 5.890 12.443 0.000) 13.766 39.817 ( 23.404 -17.087 0.000) 28.978 40.334 ( 7.771 -26.383 0.000) 27.504 ======================= Grid point 38 (24/120) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.484 ( 0.022 -10.965 0.000) 10.965 4.534 ( -4.093 -11.296 0.000) 12.015 5.727 ( 29.791 25.607 0.000) 39.284 5.783 ( 29.050 8.700 0.000) 30.325 6.214 ( -0.792 1.103 0.000) 1.358 6.252 ( -19.922 18.365 0.000) 27.096 6.354 ( -0.582 -1.007 0.000) 1.163 6.644 ( -18.655 -7.693 0.000) 20.179 6.876 ( 5.615 3.626 0.000) 6.684 6.949 ( -0.045 -3.441 0.000) 3.441 7.048 ( 4.609 -3.143 0.000) 5.579 7.298 ( -15.970 -5.691 0.000) 16.953 7.606 ( 19.871 6.808 0.000) 21.005 8.052 ( -19.895 4.799 0.000) 20.466 8.161 ( -0.785 9.814 0.000) 9.846 8.208 ( -5.459 11.505 0.000) 12.734 8.523 ( 7.981 12.253 0.000) 14.623 8.604 ( 1.026 12.466 0.000) 12.508 9.372 ( 6.152 -3.967 0.000) 7.320 9.393 ( 10.567 -5.561 0.000) 11.941 9.497 ( -5.921 -3.897 0.000) 7.088 9.594 ( -9.989 5.573 0.000) 11.439 9.993 ( 1.697 6.717 0.000) 6.928 10.041 ( -2.756 4.518 0.000) 5.293 10.056 ( 11.596 -8.105 0.000) 14.148 10.289 ( -8.229 -8.705 0.000) 11.979 10.399 ( 5.375 -3.514 0.000) 6.422 10.500 ( -4.323 -5.392 0.000) 6.911 11.047 ( 12.924 -9.035 0.000) 15.769 11.206 ( -2.816 -8.028 0.000) 8.508 11.532 ( 7.088 -0.151 0.000) 7.089 11.669 ( -6.120 -1.085 0.000) 6.215 11.891 ( 4.869 -3.089 0.000) 5.766 12.100 ( -14.105 -7.094 0.000) 15.789 12.491 ( -0.014 -7.518 0.000) 7.518 12.549 ( 1.340 3.384 0.000) 3.640 12.567 ( -7.122 -8.478 0.000) 11.073 12.578 ( -1.589 3.054 0.000) 3.442 13.296 ( 3.675 -4.788 0.000) 6.035 13.377 ( -4.338 -6.749 0.000) 8.023 13.790 ( 4.453 -2.651 0.000) 5.183 13.941 ( -10.490 -7.692 0.000) 13.008 17.036 ( 4.264 3.491 0.000) 5.511 17.086 ( -0.602 2.865 0.000) 2.927 17.428 ( 3.486 -1.215 0.000) 3.691 17.487 ( -2.276 -2.102 0.000) 3.098 18.358 ( -1.600 2.621 0.000) 3.071 18.381 ( -3.960 1.931 0.000) 4.406 19.286 ( -0.435 1.451 0.000) 1.515 19.328 ( -4.401 0.140 0.000) 4.403 20.799 ( 9.288 21.161 0.000) 23.110 21.009 ( -11.400 18.973 0.000) 22.135 22.071 ( 3.688 -4.147 0.000) 5.549 22.165 ( -5.373 -3.491 0.000) 6.407 26.681 ( 1.681 1.854 0.000) 2.502 26.703 ( -0.466 1.693 0.000) 1.756 26.950 ( 1.759 -4.013 0.000) 4.382 26.983 ( -1.433 -4.574 0.000) 4.793 35.267 ( 9.956 9.495 0.000) 13.758 35.458 ( -8.359 11.827 0.000) 14.483 35.995 ( 17.561 -9.752 0.000) 20.087 36.380 ( -20.047 -13.397 0.000) 24.111 38.704 ( 7.256 12.740 0.000) 14.662 38.782 ( -0.369 13.125 0.000) 13.130 40.198 ( 14.091 -19.571 0.000) 24.116 40.377 ( -3.490 -22.795 0.000) 23.061 ======================= Grid point 44 (25/120) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 0.000 36.417 0.000) 36.417 3.785 ( 0.000 39.334 0.000) 39.334 4.053 ( 0.000 -29.147 0.000) 29.147 4.528 ( 0.000 -31.714 0.000) 31.714 5.366 ( 0.000 7.418 0.000) 7.418 5.678 ( 0.000 -21.196 0.000) 21.196 6.554 ( 0.000 58.571 0.000) 58.571 6.719 ( 0.000 19.586 0.000) 19.586 6.783 ( 0.000 30.613 0.000) 30.613 7.057 ( 0.000 -14.519 0.000) 14.519 7.178 ( 0.000 15.546 0.000) 15.546 7.288 ( 0.000 14.107 0.000) 14.107 7.525 ( 0.000 -15.248 0.000) 15.248 7.572 ( 0.000 -32.070 0.000) 32.070 7.655 ( 0.000 -19.109 0.000) 19.109 7.892 ( 0.000 -52.934 0.000) 52.934 9.116 ( 0.000 15.565 0.000) 15.565 9.354 ( 0.000 3.716 0.000) 3.716 9.391 ( 0.000 8.537 0.000) 8.537 9.424 ( 0.000 0.258 0.000) 0.258 9.440 ( 0.000 -8.660 0.000) 8.660 9.632 ( 0.000 -6.598 0.000) 6.598 9.993 ( 0.000 2.235 0.000) 2.235 10.078 ( 0.000 -4.609 0.000) 4.609 10.371 ( 0.000 13.425 0.000) 13.425 10.515 ( 0.000 10.633 0.000) 10.633 10.586 ( 0.000 5.973 0.000) 5.973 10.614 ( 0.000 -5.264 0.000) 5.264 10.675 ( 0.000 -2.607 0.000) 2.607 10.843 ( 0.000 -14.568 0.000) 14.568 11.458 ( 0.000 0.688 0.000) 0.688 11.547 ( 0.000 -7.839 0.000) 7.839 12.149 ( 0.000 4.084 0.000) 4.084 12.258 ( 0.000 -4.691 0.000) 4.691 12.562 ( 0.000 6.401 0.000) 6.401 12.695 ( 0.000 -6.223 0.000) 6.223 12.936 ( 0.000 3.326 0.000) 3.326 13.018 ( 0.000 -3.568 0.000) 3.568 13.344 ( 0.000 9.396 0.000) 9.396 13.558 ( 0.000 -11.053 0.000) 11.053 14.604 ( 0.000 8.272 0.000) 8.272 14.753 ( 0.000 -5.880 0.000) 5.880 16.499 ( 0.000 6.561 0.000) 6.561 16.616 ( 0.000 -4.666 0.000) 4.666 17.188 ( 0.000 5.791 0.000) 5.791 17.303 ( 0.000 -5.302 0.000) 5.302 19.624 ( 0.000 3.481 0.000) 3.481 19.637 ( 0.000 1.564 0.000) 1.564 19.924 ( 0.000 0.785 0.000) 0.785 19.965 ( 0.000 -3.121 0.000) 3.121 21.095 ( 0.000 24.850 0.000) 24.850 21.555 ( 0.000 -19.103 0.000) 19.103 22.556 ( 0.000 8.421 0.000) 8.421 22.738 ( 0.000 -9.035 0.000) 9.035 26.560 ( 0.000 1.934 0.000) 1.934 26.574 ( 0.000 0.734 0.000) 0.734 26.794 ( 0.000 1.152 0.000) 1.152 26.850 ( 0.000 -4.008 0.000) 4.008 34.631 ( 0.000 3.679 0.000) 3.679 34.708 ( 0.000 -3.759 0.000) 3.759 36.692 ( 0.000 27.989 0.000) 27.989 37.291 ( 0.000 -29.693 0.000) 29.693 37.657 ( 0.000 2.325 0.000) 2.325 37.699 ( 0.000 -1.808 0.000) 1.808 38.306 ( 0.000 7.313 0.000) 7.313 38.484 ( 0.000 -9.784 0.000) 9.784 ======================= Grid point 45 (26/120) ======================= q-point: ( 0.09 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( 14.748 33.794 0.000) 36.872 3.999 ( 19.813 36.893 0.000) 41.877 4.155 ( 9.581 -26.436 0.000) 28.118 4.704 ( 16.691 -30.481 0.000) 34.752 5.315 ( -4.671 5.203 0.000) 6.992 5.586 ( -8.527 -19.437 0.000) 21.225 6.496 ( -3.689 28.735 0.000) 28.970 6.659 ( 1.674 33.031 0.000) 33.074 6.997 ( 9.376 10.728 0.000) 14.247 7.037 ( -9.405 16.096 0.000) 18.642 7.151 ( 12.792 16.368 0.000) 20.774 7.373 ( -7.413 -14.998 0.000) 16.730 7.432 ( 5.662 12.318 0.000) 13.558 7.668 ( 8.415 -32.670 0.000) 33.737 7.764 ( 6.667 -18.425 0.000) 19.594 7.996 ( 9.718 -46.810 0.000) 47.808 9.066 ( -5.575 13.414 0.000) 14.527 9.296 ( -9.409 -2.395 0.000) 9.709 9.351 ( 0.793 7.840 0.000) 7.880 9.370 ( -4.849 7.992 0.000) 9.347 9.515 ( 6.264 -4.775 0.000) 7.876 9.636 ( -1.049 -11.889 0.000) 11.936 10.021 ( 2.394 2.339 0.000) 3.347 10.072 ( 0.071 -2.228 0.000) 2.230 10.320 ( -4.947 12.252 0.000) 13.213 10.471 ( -3.404 8.159 0.000) 8.841 10.551 ( -3.337 5.426 0.000) 6.370 10.606 ( -1.469 -2.249 0.000) 2.686 10.638 ( -3.398 -2.893 0.000) 4.462 10.854 ( 2.056 -13.706 0.000) 13.860 11.487 ( 3.162 4.696 0.000) 5.662 11.643 ( 7.831 -10.690 0.000) 13.251 12.139 ( -0.833 3.276 0.000) 3.380 12.236 ( -1.911 -4.590 0.000) 4.972 12.568 ( 0.576 6.202 0.000) 6.229 12.695 ( -0.076 -5.728 0.000) 5.729 12.865 ( -7.472 2.502 0.000) 7.880 12.939 ( -6.286 -3.596 0.000) 7.242 13.321 ( -2.122 9.040 0.000) 9.286 13.530 ( -2.623 -10.937 0.000) 11.248 14.541 ( -6.656 8.195 0.000) 10.558 14.698 ( -5.377 -6.682 0.000) 8.577 16.547 ( 4.635 6.170 0.000) 7.717 16.659 ( 4.141 -4.541 0.000) 6.146 17.216 ( 2.577 5.675 0.000) 6.233 17.328 ( 2.277 -5.108 0.000) 5.593 19.441 ( -14.644 4.194 0.000) 15.233 19.501 ( -14.387 -1.248 0.000) 14.441 19.892 ( -3.429 1.562 0.000) 3.768 19.927 ( -4.308 -1.839 0.000) 4.685 21.050 ( -3.527 24.721 0.000) 24.972 21.506 ( -4.203 -18.871 0.000) 19.334 22.541 ( -1.845 6.771 0.000) 7.018 22.669 ( -6.485 -5.097 0.000) 8.249 26.565 ( 0.788 2.458 0.000) 2.582 26.595 ( 1.672 -0.146 0.000) 1.678 26.806 ( 1.136 1.420 0.000) 1.819 26.865 ( 1.314 -4.048 0.000) 4.256 34.676 ( 4.353 3.902 0.000) 5.846 34.758 ( 4.872 -3.993 0.000) 6.299 36.643 ( -4.819 27.101 0.000) 27.526 37.222 ( -6.722 -28.667 0.000) 29.445 37.760 ( 10.116 4.373 0.000) 11.020 37.865 ( 15.248 -5.932 0.000) 16.361 38.417 ( 11.179 11.005 0.000) 15.687 38.674 ( 17.206 -13.797 0.000) 22.055 ======================= Grid point 46 (27/120) ======================= q-point: ( 0.18 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 23.578 26.954 0.000) 35.811 4.396 ( 12.368 -17.450 0.000) 21.389 4.504 ( 28.313 32.818 0.000) 43.344 5.145 ( 25.364 -28.595 0.000) 38.223 5.211 ( -4.173 -1.453 0.000) 4.419 5.374 ( -10.922 -15.786 0.000) 19.196 6.496 ( 3.944 18.503 0.000) 18.919 6.741 ( 6.650 3.453 0.000) 7.493 6.838 ( -9.911 14.928 0.000) 17.919 7.153 ( -12.143 -15.015 0.000) 19.311 7.227 ( 13.905 24.170 0.000) 27.884 7.492 ( 19.636 31.008 0.000) 36.703 7.571 ( 5.235 11.470 0.000) 12.608 7.866 ( 2.443 -16.634 0.000) 16.813 7.879 ( 11.963 -32.324 0.000) 34.467 8.247 ( 14.191 -32.752 0.000) 35.694 8.873 ( -13.060 11.108 0.000) 17.145 9.061 ( -13.142 -3.563 0.000) 13.616 9.263 ( -5.348 11.982 0.000) 13.122 9.369 ( 0.356 7.452 0.000) 7.460 9.577 ( -4.385 -15.137 0.000) 15.759 9.588 ( -0.916 -8.461 0.000) 8.511 10.056 ( 1.694 5.026 0.000) 5.304 10.120 ( 3.879 -0.528 0.000) 3.914 10.208 ( -4.416 10.485 0.000) 11.377 10.416 ( -1.377 -1.157 0.000) 1.798 10.462 ( -5.231 4.828 0.000) 7.118 10.546 ( -4.460 10.355 0.000) 11.275 10.557 ( -4.225 -4.253 0.000) 5.995 10.918 ( 2.915 -14.783 0.000) 15.068 11.560 ( 3.124 10.131 0.000) 10.602 11.790 ( 4.754 -11.978 0.000) 12.887 12.131 ( 0.621 0.673 0.000) 0.915 12.196 ( -1.925 -4.686 0.000) 5.066 12.581 ( 0.635 5.593 0.000) 5.629 12.660 ( -10.461 5.883 0.000) 12.002 12.688 ( -0.619 -4.354 0.000) 4.398 12.816 ( -5.603 -9.301 0.000) 10.858 13.270 ( -2.608 7.672 0.000) 8.103 13.460 ( -4.087 -10.333 0.000) 11.112 14.327 ( -14.155 9.582 0.000) 17.094 14.531 ( -11.431 -9.924 0.000) 15.137 16.675 ( 7.701 5.278 0.000) 9.336 16.774 ( 6.905 -4.109 0.000) 8.035 17.280 ( 3.486 5.267 0.000) 6.316 17.384 ( 2.924 -4.641 0.000) 5.485 19.099 ( -18.026 2.694 0.000) 18.226 19.135 ( -19.641 -0.431 0.000) 19.645 19.772 ( -8.414 1.509 0.000) 8.548 19.794 ( -8.342 -0.655 0.000) 8.367 20.992 ( -1.575 23.349 0.000) 23.402 21.419 ( -3.821 -17.452 0.000) 17.865 22.453 ( -7.922 5.249 0.000) 9.503 22.513 ( -7.429 -0.291 0.000) 7.435 26.593 ( 1.915 2.731 0.000) 3.336 26.634 ( 2.153 -0.932 0.000) 2.346 26.835 ( 1.496 1.462 0.000) 2.092 26.893 ( 1.315 -3.975 0.000) 4.187 34.802 ( 8.025 4.691 0.000) 9.295 34.901 ( 9.223 -4.793 0.000) 10.394 36.504 ( -8.772 24.666 0.000) 26.180 37.029 ( -12.046 -25.919 0.000) 28.581 38.044 ( 17.158 8.376 0.000) 19.093 38.243 ( 20.468 -10.684 0.000) 23.088 38.739 ( 19.905 14.421 0.000) 24.580 39.097 ( 22.868 -19.841 0.000) 30.276 ======================= Grid point 47 (28/120) ======================= q-point: ( 0.27 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.380 ( 17.381 13.440 0.000) 21.971 4.532 ( -0.770 -3.775 0.000) 3.852 5.087 ( 28.968 29.358 0.000) 41.244 5.155 ( -0.126 -1.196 0.000) 1.202 5.336 ( 11.929 -16.678 0.000) 20.505 5.665 ( 25.114 -26.487 0.000) 36.501 6.637 ( 9.226 15.619 0.000) 18.140 6.655 ( -7.823 11.121 0.000) 13.597 6.904 ( -12.124 -12.189 0.000) 17.192 6.922 ( 10.236 -10.891 0.000) 14.946 7.471 ( 8.617 28.530 0.000) 29.803 7.591 ( -4.452 8.442 0.000) 9.544 7.811 ( -8.992 -12.001 0.000) 14.997 7.961 ( 25.283 32.226 0.000) 40.961 8.117 ( 11.667 -30.949 0.000) 33.075 8.527 ( 12.402 -12.591 0.000) 17.673 8.601 ( -12.074 11.600 0.000) 16.743 8.793 ( -12.721 -2.801 0.000) 13.025 9.180 ( -2.199 9.171 0.000) 9.431 9.360 ( -2.152 -1.628 0.000) 2.698 9.476 ( -6.291 -7.104 0.000) 9.489 9.478 ( -4.983 -15.588 0.000) 16.365 10.109 ( 3.279 7.410 0.000) 8.104 10.187 ( 1.660 6.221 0.000) 6.439 10.190 ( 2.732 0.722 0.000) 2.826 10.354 ( -5.152 4.392 0.000) 6.770 10.365 ( -8.905 -5.261 0.000) 10.343 10.477 ( -3.549 -6.701 0.000) 7.583 10.484 ( 3.649 18.371 0.000) 18.730 10.937 ( -0.703 -18.450 0.000) 18.464 11.589 ( -0.184 11.808 0.000) 11.809 11.804 ( -2.137 -7.933 0.000) 8.215 12.110 ( -7.747 -0.656 0.000) 7.775 12.153 ( -0.368 -5.041 0.000) 5.054 12.544 ( -0.528 5.320 0.000) 5.347 12.592 ( 0.403 4.547 0.000) 4.565 12.669 ( -1.276 -2.396 0.000) 2.715 12.719 ( -4.261 -11.689 0.000) 12.441 13.228 ( -1.322 5.098 0.000) 5.266 13.377 ( -3.854 -8.871 0.000) 9.672 14.018 ( -14.702 9.604 0.000) 17.561 14.248 ( -15.638 -12.326 0.000) 19.911 16.841 ( 8.292 4.339 0.000) 9.358 16.921 ( 7.317 -3.267 0.000) 8.013 17.345 ( 2.775 4.407 0.000) 5.208 17.434 ( 1.888 -4.041 0.000) 4.461 18.754 ( -15.187 2.331 0.000) 15.365 18.780 ( -14.957 -0.077 0.000) 14.957 19.578 ( -9.898 2.129 0.000) 10.125 19.611 ( -9.355 -1.032 0.000) 9.412 20.995 ( 1.814 20.919 0.000) 20.998 21.362 ( -1.948 -13.790 0.000) 13.927 22.255 ( -10.146 7.975 0.000) 12.905 22.369 ( -7.551 -2.823 0.000) 8.061 26.638 ( 2.395 2.595 0.000) 3.531 26.678 ( 2.125 -0.979 0.000) 2.340 26.860 ( 0.982 0.957 0.000) 1.371 26.913 ( 0.548 -3.824 0.000) 3.863 34.993 ( 10.688 6.187 0.000) 12.350 35.123 ( 12.547 -6.225 0.000) 14.006 36.299 ( -11.367 21.209 0.000) 24.063 36.750 ( -15.301 -22.206 0.000) 26.967 38.412 ( 18.377 11.427 0.000) 21.640 38.630 ( 16.920 -6.722 0.000) 18.206 39.177 ( 22.312 9.229 0.000) 24.146 39.532 ( 19.172 -22.341 0.000) 29.439 ======================= Grid point 48 (29/120) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.426 ( -6.797 -1.425 0.000) 6.945 4.470 ( -5.523 -4.612 0.000) 7.196 5.433 ( 25.132 12.275 0.000) 27.970 5.664 ( 28.084 25.133 0.000) 37.688 5.718 ( 22.564 -13.985 0.000) 26.546 6.134 ( 20.888 -20.425 0.000) 29.214 6.528 ( -5.187 5.592 0.000) 7.627 6.680 ( -9.809 -8.673 0.000) 13.093 6.823 ( 7.787 12.176 0.000) 14.453 7.064 ( 0.906 -9.857 0.000) 9.898 7.367 ( -17.021 6.362 0.000) 18.171 7.521 ( -17.972 -7.659 0.000) 19.536 7.596 ( 6.150 28.420 0.000) 29.078 8.167 ( -1.558 -19.523 0.000) 19.585 8.426 ( -5.429 10.860 0.000) 12.142 8.536 ( 20.840 13.132 0.000) 24.632 8.566 ( -9.585 1.264 0.000) 9.668 8.717 ( 6.890 3.813 0.000) 7.875 9.186 ( 2.584 2.907 0.000) 3.890 9.249 ( -1.676 7.425 0.000) 7.612 9.392 ( -3.391 -13.348 0.000) 13.772 9.537 ( 9.347 -19.500 0.000) 21.625 10.099 ( -15.425 9.462 0.000) 18.096 10.159 ( 0.963 7.792 0.000) 7.851 10.194 ( -3.228 -3.358 0.000) 4.658 10.229 ( 0.173 7.355 0.000) 7.357 10.273 ( -1.164 -1.741 0.000) 2.094 10.418 ( -2.377 -8.348 0.000) 8.679 10.666 ( 12.934 4.982 0.000) 13.860 10.941 ( 2.275 -17.116 0.000) 17.266 11.582 ( 0.426 10.012 0.000) 10.021 11.759 ( -1.489 -5.988 0.000) 6.171 11.918 ( -9.650 4.606 0.000) 10.693 12.080 ( -6.616 -10.535 0.000) 12.440 12.526 ( -4.112 1.571 0.000) 4.402 12.599 ( 0.333 3.245 0.000) 3.262 12.605 ( -7.933 -5.939 0.000) 9.910 12.642 ( -1.266 -0.551 0.000) 1.380 13.217 ( 0.183 2.002 0.000) 2.011 13.310 ( -2.824 -6.588 0.000) 7.168 13.805 ( -5.509 5.334 0.000) 7.668 13.964 ( -10.903 -9.812 0.000) 14.668 16.995 ( 6.686 3.480 0.000) 7.538 17.053 ( 5.345 -1.832 0.000) 5.650 17.389 ( 1.623 2.839 0.000) 3.270 17.455 ( 0.142 -3.262 0.000) 3.265 18.512 ( -8.785 2.066 0.000) 9.025 18.535 ( -9.332 -0.142 0.000) 9.333 19.403 ( -6.934 2.108 0.000) 7.248 19.437 ( -7.404 -1.171 0.000) 7.496 21.060 ( 4.475 17.835 0.000) 18.388 21.328 ( -1.866 -6.501 0.000) 6.763 22.080 ( -6.482 6.303 0.000) 9.041 22.212 ( -7.681 -5.134 0.000) 9.238 26.685 ( 2.175 2.242 0.000) 3.124 26.716 ( 1.480 -0.346 0.000) 1.520 26.875 ( 0.543 -0.076 0.000) 0.548 26.915 ( -0.337 -3.527 0.000) 3.543 35.226 ( 12.274 8.313 0.000) 14.825 35.397 ( 14.340 -7.876 0.000) 16.361 36.056 ( -12.298 16.999 0.000) 20.981 36.425 ( -16.627 -18.249 0.000) 24.688 38.748 ( 14.210 12.223 0.000) 18.744 38.903 ( 9.818 1.034 0.000) 9.873 39.593 ( 17.987 -0.171 0.000) 17.987 39.840 ( 10.886 -20.415 0.000) 23.136 ======================= Grid point 49 (30/120) ======================= q-point: ( 0.45 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( -2.424 -3.756 0.000) 4.471 4.346 ( -4.548 -5.813 0.000) 7.381 5.982 ( 26.093 9.775 0.000) 27.864 6.153 ( 17.946 -6.157 0.000) 18.973 6.195 ( 23.078 18.545 0.000) 29.606 6.395 ( -9.329 3.658 0.000) 10.021 6.435 ( 4.370 -2.711 0.000) 5.143 6.495 ( -10.887 -6.204 0.000) 12.531 6.899 ( -0.139 2.921 0.000) 2.924 6.958 ( -6.750 -0.426 0.000) 6.763 7.046 ( -8.382 3.076 0.000) 8.928 7.159 ( -15.728 -7.012 0.000) 17.221 7.777 ( 11.199 11.076 0.000) 15.751 8.015 ( -11.476 -8.889 0.000) 14.516 8.368 ( -0.345 8.712 0.000) 8.719 8.416 ( -5.070 5.548 0.000) 7.515 8.752 ( 4.478 8.347 0.000) 9.472 8.800 ( 0.166 4.500 0.000) 4.503 9.259 ( 4.030 -3.076 0.000) 5.070 9.332 ( -3.042 -8.743 0.000) 9.257 9.433 ( 15.802 10.634 0.000) 19.047 9.717 ( -3.959 -4.508 0.000) 5.999 9.832 ( 1.190 -1.905 0.000) 2.246 10.048 ( -10.709 -13.090 0.000) 16.912 10.163 ( 0.253 7.635 0.000) 7.640 10.187 ( -2.153 7.370 0.000) 7.678 10.318 ( 3.075 -4.037 0.000) 5.075 10.373 ( -2.348 -6.808 0.000) 7.202 10.924 ( 10.011 -1.515 0.000) 10.124 11.005 ( 1.656 -8.691 0.000) 8.848 11.630 ( 4.278 7.281 0.000) 8.445 11.733 ( -4.918 4.201 0.000) 6.468 11.796 ( 2.413 -3.846 0.000) 4.540 11.925 ( -7.940 -9.135 0.000) 12.103 12.392 ( -5.464 -1.691 0.000) 5.720 12.424 ( -7.971 -4.665 0.000) 9.236 12.607 ( 0.506 1.996 0.000) 2.059 12.620 ( -0.843 0.825 0.000) 1.180 13.232 ( 1.158 -1.006 0.000) 1.534 13.263 ( -1.909 -3.876 0.000) 4.320 13.775 ( 1.270 0.955 0.000) 1.590 13.825 ( -3.794 -3.862 0.000) 5.414 17.099 ( 3.389 2.373 0.000) 4.137 17.122 ( 1.256 0.371 0.000) 1.310 17.417 ( 1.301 0.359 0.000) 1.350 17.443 ( -1.152 -1.967 0.000) 2.279 18.397 ( -2.623 1.185 0.000) 2.879 18.406 ( -3.428 0.396 0.000) 3.450 19.312 ( -1.899 1.041 0.000) 2.165 19.327 ( -3.258 -0.359 0.000) 3.278 21.165 ( 5.588 12.987 0.000) 14.138 21.268 ( -4.231 4.299 0.000) 6.032 22.014 ( 0.102 -0.103 0.000) 0.145 22.075 ( -5.417 -4.755 0.000) 7.208 26.721 ( 1.297 1.712 0.000) 2.148 26.733 ( 0.142 0.779 0.000) 0.792 26.886 ( 0.670 -1.587 0.000) 1.723 26.902 ( -0.809 -2.858 0.000) 2.970 35.479 ( 12.452 10.598 0.000) 16.351 35.645 ( 3.998 -0.140 0.000) 4.001 35.858 ( -1.108 2.985 0.000) 3.185 36.091 ( -16.136 -14.156 0.000) 21.465 38.964 ( 6.885 10.684 0.000) 12.710 39.019 ( 1.546 7.008 0.000) 7.177 39.873 ( 9.368 -8.596 0.000) 12.715 39.960 ( 0.866 -15.435 0.000) 15.459 ======================= Grid point 99 (31/120) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.000 0.000 43.789) 43.789 1.060 ( 0.000 0.000 53.313) 53.313 1.803 ( 0.000 0.000 89.629) 89.629 4.153 ( 0.000 0.000 -32.565) 32.565 4.789 ( 0.000 0.000 -33.826) 33.826 5.797 ( 0.000 0.000 17.168) 17.168 5.958 ( 0.000 0.000 -1.045) 1.045 6.562 ( 0.000 0.000 21.308) 21.308 6.715 ( 0.000 0.000 25.115) 25.115 7.416 ( 0.000 0.000 0.715) 0.715 7.669 ( 0.000 0.000 -17.955) 17.955 8.014 ( 0.000 0.000 -16.905) 16.905 8.100 ( 0.000 0.000 -1.816) 1.816 8.293 ( 0.000 0.000 0.962) 0.962 8.516 ( 0.000 0.000 7.162) 7.162 8.568 ( 0.000 0.000 1.889) 1.889 8.835 ( 0.000 0.000 0.444) 0.444 8.938 ( 0.000 0.000 -0.586) 0.586 9.110 ( 0.000 0.000 -1.158) 1.158 9.329 ( 0.000 0.000 1.351) 1.351 9.609 ( 0.000 0.000 -8.783) 8.783 9.678 ( 0.000 0.000 -4.392) 4.392 9.813 ( 0.000 0.000 1.905) 1.905 9.971 ( 0.000 0.000 -3.473) 3.473 10.011 ( 0.000 0.000 -8.412) 8.412 10.248 ( 0.000 0.000 -18.581) 18.581 10.432 ( 0.000 0.000 0.474) 0.474 10.523 ( 0.000 0.000 -2.677) 2.677 11.433 ( 0.000 0.000 2.273) 2.273 11.510 ( 0.000 0.000 0.575) 0.575 11.871 ( 0.000 0.000 -5.556) 5.556 12.141 ( 0.000 0.000 -3.753) 3.753 12.258 ( 0.000 0.000 1.147) 1.147 12.354 ( 0.000 0.000 12.938) 12.938 12.488 ( 0.000 0.000 -5.542) 5.542 12.608 ( 0.000 0.000 9.786) 9.786 12.684 ( 0.000 0.000 3.025) 3.025 13.370 ( 0.000 0.000 -4.175) 4.175 13.600 ( 0.000 0.000 24.260) 24.260 13.617 ( 0.000 0.000 4.137) 4.137 14.678 ( 0.000 0.000 -10.083) 10.083 15.404 ( 0.000 0.000 -8.493) 8.493 16.068 ( 0.000 0.000 4.996) 4.996 16.713 ( 0.000 0.000 -4.680) 4.680 16.877 ( 0.000 0.000 5.456) 5.456 17.571 ( 0.000 0.000 -5.252) 5.252 18.278 ( 0.000 0.000 0.359) 0.359 18.310 ( 0.000 0.000 -0.123) 0.123 19.983 ( 0.000 0.000 2.697) 2.697 20.029 ( 0.000 0.000 1.228) 1.228 20.168 ( 0.000 0.000 -0.891) 0.891 20.324 ( 0.000 0.000 -2.492) 2.492 22.175 ( 0.000 0.000 -0.041) 0.041 22.178 ( 0.000 0.000 -0.089) 0.089 26.391 ( 0.000 0.000 0.243) 0.243 26.396 ( 0.000 0.000 0.145) 0.145 26.857 ( 0.000 0.000 2.277) 2.277 27.135 ( 0.000 0.000 -1.989) 1.989 34.487 ( 0.000 0.000 4.568) 4.568 35.059 ( 0.000 0.000 -4.195) 4.195 37.525 ( 0.000 0.000 3.146) 3.146 37.915 ( 0.000 0.000 5.272) 5.272 37.961 ( 0.000 0.000 -3.642) 3.642 38.595 ( 0.000 0.000 -5.139) 5.139 39.004 ( 0.000 0.000 1.758) 1.758 39.195 ( 0.000 0.000 -1.286) 1.286 ======================= Grid point 100 (32/120) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 36.360 0.000 28.491) 46.193 1.681 ( 40.641 0.000 40.846) 57.620 2.601 ( 71.851 0.000 54.619) 90.254 4.285 ( 10.995 0.000 -34.630) 36.334 4.960 ( 13.211 0.000 -34.753) 37.179 5.784 ( -1.188 0.000 15.499) 15.545 5.939 ( 1.057 0.000 6.125) 6.216 6.600 ( 3.465 0.000 16.793) 17.147 6.800 ( 6.251 0.000 25.960) 26.702 7.471 ( 6.063 0.000 -1.574) 6.264 7.540 ( -9.941 0.000 -19.277) 21.690 7.911 ( -14.004 0.000 4.747) 14.786 8.134 ( 8.864 0.000 -14.089) 16.646 8.225 ( -8.355 0.000 3.216) 8.952 8.414 ( -6.067 0.000 10.473) 12.104 8.645 ( 0.061 0.000 -0.405) 0.410 8.735 ( -12.720 0.000 -1.382) 12.795 8.830 ( -2.629 0.000 -2.042) 3.329 8.902 ( -10.275 0.000 -2.488) 10.572 9.478 ( -1.509 0.000 -1.035) 1.830 9.509 ( 2.264 0.000 -5.083) 5.564 9.766 ( -1.103 0.000 -2.782) 2.993 9.895 ( -4.851 0.000 -2.071) 5.274 9.956 ( -4.738 0.000 -9.061) 10.225 10.031 ( 15.071 0.000 -5.791) 16.145 10.263 ( 1.270 0.000 -15.586) 15.637 10.431 ( -8.316 0.000 -3.096) 8.873 10.432 ( 0.970 0.000 -0.553) 1.117 11.306 ( -30.162 0.000 18.776) 35.529 11.466 ( -0.558 0.000 2.628) 2.687 11.503 ( 3.894 0.000 -0.791) 3.974 11.952 ( -5.523 0.000 4.998) 7.449 12.114 ( -14.968 0.000 2.020) 15.104 12.311 ( 1.056 0.000 0.963) 1.429 12.366 ( 2.757 0.000 6.917) 7.446 12.499 ( -0.827 0.000 -4.338) 4.416 12.593 ( -0.215 0.000 11.453) 11.455 13.521 ( -2.367 0.000 15.157) 15.341 13.875 ( 16.789 0.000 13.041) 21.259 13.993 ( 9.605 0.000 -16.117) 18.762 14.445 ( -15.608 0.000 -3.465) 15.988 15.925 ( 14.582 0.000 -39.716) 42.308 16.172 ( 9.650 0.000 5.686) 11.200 16.914 ( 12.529 0.000 -3.217) 12.935 16.933 ( 5.422 0.000 5.109) 7.450 17.573 ( -0.218 0.000 -2.336) 2.346 18.267 ( -1.090 0.000 0.313) 1.134 18.308 ( -0.531 0.000 -1.306) 1.410 19.869 ( -5.385 0.000 -2.955) 6.142 20.035 ( -12.799 0.000 -1.311) 12.866 20.112 ( 2.364 0.000 -5.139) 5.656 20.272 ( -4.494 0.000 -2.205) 5.006 22.179 ( 0.417 0.000 -0.020) 0.417 22.185 ( 0.623 0.000 -0.107) 0.632 26.411 ( 1.836 0.000 0.345) 1.868 26.429 ( 2.983 0.000 0.075) 2.984 26.878 ( 2.068 0.000 2.165) 2.994 27.147 ( 1.162 0.000 -1.942) 2.263 34.551 ( 5.902 0.000 4.512) 7.430 35.063 ( 0.429 0.000 -3.741) 3.766 36.194 ( -52.900 0.000 64.177) 83.170 37.586 ( 5.846 0.000 2.949) 6.548 37.952 ( 0.087 0.000 -2.916) 2.917 38.585 ( -6.702 0.000 -15.493) 16.880 39.096 ( 13.512 0.000 11.383) 17.668 40.863 ( 50.996 0.000 -55.679) 75.503 ======================= Grid point 101 (33/120) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 43.066 0.000 16.659) 46.176 2.538 ( 44.078 0.000 28.956) 52.738 4.207 ( 76.270 0.000 23.178) 79.714 4.599 ( 24.519 0.000 -28.119) 37.308 5.095 ( -2.190 0.000 -23.922) 24.022 5.767 ( 0.150 0.000 12.651) 12.652 6.161 ( 20.816 0.000 4.581) 21.314 6.685 ( 4.427 0.000 10.454) 11.353 6.932 ( 6.357 0.000 26.292) 27.049 7.337 ( -9.014 0.000 -16.683) 18.962 7.509 ( -8.439 0.000 -2.630) 8.839 7.588 ( -17.289 0.000 7.139) 18.704 8.113 ( 2.502 0.000 1.955) 3.175 8.263 ( -12.316 0.000 7.485) 14.413 8.294 ( 5.418 0.000 -11.812) 12.996 8.365 ( -13.562 0.000 2.481) 13.787 8.589 ( -15.191 0.000 -2.873) 15.460 8.670 ( -4.718 0.000 0.692) 4.769 8.855 ( -0.286 0.000 -1.589) 1.614 9.205 ( -15.965 0.000 -1.833) 16.070 9.545 ( -17.337 0.000 -1.823) 17.433 9.702 ( 5.520 0.000 -6.803) 8.761 9.883 ( 1.198 0.000 -5.139) 5.276 9.901 ( 2.099 0.000 -2.238) 3.069 10.217 ( 3.987 0.000 -4.949) 6.355 10.250 ( -7.762 0.000 -5.144) 9.312 10.305 ( 3.439 0.000 -9.832) 10.416 10.532 ( 9.266 0.000 -5.137) 10.595 11.015 ( -4.459 0.000 10.869) 11.748 11.467 ( 2.093 0.000 3.011) 3.667 11.630 ( 7.208 0.000 -1.579) 7.379 11.763 ( -18.164 0.000 -1.138) 18.200 11.863 ( -3.311 0.000 2.237) 3.996 12.353 ( 1.822 0.000 -4.295) 4.665 12.403 ( 0.434 0.000 9.547) 9.557 12.490 ( 0.308 0.000 -0.109) 0.327 12.630 ( 3.693 0.000 5.091) 6.289 13.489 ( -0.868 0.000 14.073) 14.100 13.922 ( -16.432 0.000 -11.229) 19.902 14.148 ( -9.933 0.000 1.072) 9.990 14.187 ( 12.139 0.000 10.763) 16.224 15.929 ( -10.142 0.000 -30.199) 31.856 16.413 ( 13.033 0.000 7.096) 14.840 17.027 ( 0.213 0.000 7.835) 7.838 17.080 ( 8.586 0.000 4.363) 9.631 17.561 ( -0.608 0.000 -1.271) 1.409 18.239 ( -1.425 0.000 0.266) 1.450 18.284 ( -1.651 0.000 -0.371) 1.692 19.703 ( -18.281 0.000 -1.582) 18.349 19.764 ( -5.460 0.000 -4.544) 7.104 20.123 ( -1.027 0.000 -8.598) 8.659 20.159 ( -6.398 0.000 -1.819) 6.651 22.191 ( 0.677 0.000 0.024) 0.677 22.201 ( 0.919 0.000 -0.143) 0.930 26.460 ( 2.902 0.000 0.182) 2.908 26.500 ( 3.717 0.000 -0.124) 3.719 26.935 ( 3.351 0.000 1.835) 3.820 27.175 ( 1.459 0.000 -1.799) 2.316 34.703 ( 8.595 0.000 6.100) 10.540 35.074 ( 0.624 0.000 -2.415) 2.494 35.678 ( -8.212 0.000 34.307) 35.277 37.748 ( 9.784 0.000 2.456) 10.088 37.984 ( 2.263 0.000 -4.130) 4.710 38.294 ( -19.051 0.000 -15.353) 24.467 39.535 ( 26.997 0.000 12.378) 29.700 41.397 ( 11.781 0.000 -29.347) 31.623 ======================= Grid point 102 (34/120) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 43.273 0.000 10.783) 44.597 3.430 ( 43.710 0.000 17.390) 47.043 4.934 ( 22.344 0.000 -24.175) 32.919 4.980 ( -6.065 0.000 -8.415) 10.373 5.632 ( 20.545 0.000 2.320) 20.676 6.011 ( 49.106 0.000 18.687) 52.542 6.525 ( 6.663 0.000 -9.290) 11.432 6.770 ( 5.973 0.000 5.189) 7.912 6.946 ( -10.243 0.000 11.137) 15.131 7.185 ( -17.379 0.000 -0.297) 17.382 7.238 ( 0.570 0.000 -5.011) 5.043 7.341 ( -0.794 0.000 21.408) 21.423 7.849 ( -24.724 0.000 -3.566) 24.979 8.116 ( -11.475 0.000 6.109) 13.000 8.210 ( -6.277 0.000 6.282) 8.880 8.303 ( -7.274 0.000 -2.261) 7.618 8.454 ( 8.042 0.000 -8.784) 11.909 8.505 ( -8.268 0.000 5.221) 9.779 8.829 ( -3.445 0.000 -2.006) 3.987 8.931 ( -9.005 0.000 0.613) 9.026 9.158 ( -18.865 0.000 0.188) 18.866 9.694 ( -2.197 0.000 -15.663) 15.817 9.917 ( -0.716 0.000 -8.358) 8.388 10.055 ( 10.615 0.000 -0.618) 10.633 10.140 ( -2.288 0.000 -11.890) 12.108 10.267 ( 2.050 0.000 -2.514) 3.244 10.444 ( 10.861 0.000 2.634) 11.176 10.755 ( 10.858 0.000 -3.240) 11.331 10.989 ( 1.387 0.000 7.628) 7.753 11.420 ( -14.853 0.000 -2.938) 15.140 11.554 ( 6.188 0.000 4.106) 7.426 11.772 ( 6.558 0.000 -1.793) 6.798 11.831 ( 0.246 0.000 1.147) 1.173 12.368 ( -0.029 0.000 -5.993) 5.993 12.400 ( -0.246 0.000 6.323) 6.327 12.510 ( 0.856 0.000 2.060) 2.231 12.713 ( 4.043 0.000 2.198) 4.602 13.468 ( -24.585 0.000 -6.623) 25.462 13.489 ( 0.988 0.000 11.783) 11.825 14.004 ( -6.408 0.000 2.065) 6.732 14.312 ( -0.275 0.000 6.087) 6.093 15.572 ( -24.412 0.000 -21.178) 32.318 16.659 ( 10.718 0.000 7.218) 12.922 17.004 ( -1.420 0.000 8.535) 8.652 17.253 ( 7.958 0.000 3.088) 8.536 17.553 ( -0.361 0.000 -3.114) 3.135 18.218 ( -0.531 0.000 0.484) 0.719 18.250 ( -1.558 0.000 0.781) 1.743 19.371 ( -13.116 0.000 -0.516) 13.126 19.644 ( -6.388 0.000 -2.012) 6.697 20.027 ( -6.352 0.000 -1.618) 6.555 20.075 ( -3.645 0.000 -7.753) 8.568 22.205 ( 0.730 0.000 0.058) 0.732 22.219 ( 0.789 0.000 -0.158) 0.805 26.522 ( 3.134 0.000 -0.197) 3.140 26.568 ( 2.889 0.000 -0.361) 2.912 27.007 ( 3.635 0.000 1.315) 3.866 27.199 ( 0.687 0.000 -1.547) 1.692 34.870 ( 7.352 0.000 9.280) 11.839 35.086 ( 0.457 0.000 -0.309) 0.552 35.683 ( 6.977 0.000 13.848) 15.506 37.766 ( -24.062 0.000 -17.052) 29.491 37.959 ( 10.653 0.000 1.859) 10.814 38.143 ( 4.663 0.000 0.060) 4.663 40.103 ( 28.030 0.000 9.696) 29.660 41.513 ( 1.391 0.000 -15.358) 15.421 ======================= Grid point 103 (35/120) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 41.257 0.000 7.145) 41.871 4.270 ( 38.525 0.000 8.206) 39.389 4.922 ( 1.030 0.000 -0.798) 1.303 5.345 ( 15.026 0.000 -18.047) 23.483 5.736 ( 1.630 0.000 4.196) 4.502 6.398 ( -14.069 0.000 -7.304) 15.852 6.450 ( -14.014 0.000 0.034) 14.014 6.671 ( -12.935 0.000 2.915) 13.260 6.878 ( 0.558 0.000 -7.241) 7.263 7.273 ( -16.059 0.000 -10.796) 19.351 7.377 ( -3.990 0.000 10.035) 10.799 7.407 ( 30.931 0.000 10.508) 32.667 7.497 ( 13.123 0.000 19.732) 23.697 7.880 ( -3.766 0.000 7.200) 8.126 7.924 ( -16.668 0.000 1.394) 16.726 8.232 ( 0.086 0.000 4.580) 4.581 8.332 ( -10.628 0.000 15.005) 18.388 8.544 ( -15.428 0.000 -0.677) 15.443 8.772 ( 13.738 0.000 -4.522) 14.463 8.857 ( 0.191 0.000 -1.841) 1.851 8.939 ( -2.299 0.000 -1.709) 2.864 9.670 ( 0.009 0.000 -16.023) 16.023 9.877 ( -2.973 0.000 -14.419) 14.723 10.019 ( -6.532 0.000 -16.037) 17.316 10.315 ( 2.930 0.000 3.254) 4.379 10.340 ( 12.521 0.000 1.571) 12.620 10.664 ( 4.829 0.000 13.384) 14.228 10.832 ( -2.665 0.000 5.343) 5.970 11.163 ( 14.834 0.000 -1.251) 14.886 11.261 ( 3.947 0.000 -7.491) 8.467 11.694 ( 6.990 0.000 3.990) 8.049 11.857 ( 1.564 0.000 1.203) 1.973 11.890 ( 5.264 0.000 -1.791) 5.560 12.367 ( -0.001 0.000 -5.176) 5.176 12.397 ( -0.134 0.000 1.823) 1.828 12.471 ( -6.390 0.000 0.262) 6.395 12.779 ( 2.305 0.000 1.435) 2.715 13.037 ( -15.685 0.000 -1.645) 15.771 13.529 ( 3.007 0.000 8.693) 9.199 13.872 ( -6.611 0.000 3.414) 7.440 14.201 ( -8.608 0.000 1.118) 8.680 14.992 ( -31.493 0.000 -15.039) 34.899 16.833 ( 6.561 0.000 5.466) 8.540 16.984 ( -0.625 0.000 5.011) 5.049 17.386 ( 5.168 0.000 0.489) 5.191 17.541 ( -0.841 0.000 -3.840) 3.931 18.217 ( 0.218 0.000 1.002) 1.025 18.225 ( -0.846 0.000 1.403) 1.638 19.211 ( -2.573 0.000 1.784) 3.130 19.511 ( -6.748 0.000 0.423) 6.761 19.917 ( -4.298 0.000 -1.627) 4.595 19.984 ( -4.979 0.000 -5.174) 7.180 22.219 ( 0.633 0.000 0.055) 0.635 22.231 ( 0.395 0.000 -0.130) 0.416 26.580 ( 2.515 0.000 -0.499) 2.564 26.614 ( 1.591 0.000 -0.540) 1.680 27.077 ( 3.231 0.000 0.678) 3.301 27.200 ( -0.548 0.000 -1.155) 1.278 34.987 ( 4.271 0.000 10.577) 11.407 35.090 ( -0.076 0.000 2.430) 2.431 35.921 ( 15.892 0.000 1.322) 15.947 37.253 ( -25.666 0.000 -13.982) 29.227 38.156 ( 8.405 0.000 1.307) 8.506 38.250 ( 4.823 0.000 0.287) 4.832 40.630 ( 23.651 0.000 6.214) 24.454 41.479 ( -4.676 0.000 -7.601) 8.924 ======================= Grid point 104 (36/120) ======================= q-point: ( 0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.651 ( 35.916 0.000 3.467) 36.083 4.893 ( 18.573 0.000 -0.353) 18.576 5.006 ( 5.636 0.000 1.333) 5.792 5.299 ( -20.553 0.000 -1.023) 20.578 5.765 ( 4.051 0.000 9.072) 9.935 6.044 ( -19.573 0.000 2.383) 19.718 6.386 ( 12.651 0.000 -15.611) 20.094 6.561 ( 3.984 0.000 -2.377) 4.639 6.728 ( -15.586 0.000 -15.797) 22.192 6.808 ( -19.293 0.000 -6.285) 20.291 7.451 ( 1.786 0.000 2.708) 3.244 7.519 ( -5.611 0.000 3.986) 6.883 7.729 ( 11.280 0.000 23.154) 25.756 7.778 ( 3.825 0.000 9.801) 10.521 8.093 ( 0.349 0.000 1.185) 1.236 8.094 ( -10.674 0.000 20.155) 22.807 8.213 ( -5.716 0.000 6.788) 8.874 8.243 ( -0.333 0.000 1.070) 1.121 8.879 ( 1.189 0.000 -2.487) 2.757 8.895 ( -0.442 0.000 -3.752) 3.777 9.283 ( 28.584 0.000 -4.294) 28.905 9.671 ( -3.410 0.000 -11.234) 11.740 9.808 ( -3.378 0.000 -18.062) 18.375 9.831 ( -10.430 0.000 -18.605) 21.329 10.398 ( 5.766 0.000 8.393) 10.183 10.536 ( -0.612 0.000 4.353) 4.396 10.593 ( 0.700 0.000 13.070) 13.089 10.732 ( -6.605 0.000 5.596) 8.657 11.468 ( 12.880 0.000 -1.998) 13.034 11.516 ( 11.322 0.000 -4.611) 12.225 11.795 ( 2.834 0.000 2.345) 3.679 11.860 ( -2.025 0.000 1.576) 2.566 12.011 ( 7.934 0.000 -0.488) 7.949 12.235 ( -13.404 0.000 -1.849) 13.531 12.382 ( 0.395 0.000 -2.630) 2.660 12.392 ( -0.426 0.000 -1.160) 1.236 12.810 ( 1.357 0.000 0.647) 1.503 12.859 ( -4.035 0.000 0.955) 4.146 13.614 ( 5.465 0.000 5.999) 8.115 13.739 ( -6.541 0.000 4.854) 8.145 14.103 ( 2.759 0.000 -4.625) 5.385 14.393 ( -24.947 0.000 -10.868) 27.212 16.929 ( 3.129 0.000 3.497) 4.692 16.969 ( -1.122 0.000 3.102) 3.298 17.467 ( 3.096 0.000 -2.056) 3.717 17.516 ( -1.776 0.000 -3.459) 3.888 18.216 ( -0.086 0.000 1.552) 1.554 18.218 ( -0.130 0.000 1.363) 1.369 19.246 ( 4.988 0.000 3.156) 5.903 19.373 ( -6.917 0.000 2.350) 7.305 19.865 ( -0.611 0.000 -1.967) 2.060 19.895 ( -3.349 0.000 -3.010) 4.503 22.230 ( 0.408 0.000 0.008) 0.408 22.235 ( -0.050 0.000 -0.066) 0.083 26.620 ( 1.308 0.000 -0.637) 1.454 26.632 ( 0.147 0.000 -0.636) 0.653 27.135 ( 2.528 0.000 0.007) 2.528 27.177 ( -1.659 0.000 -0.623) 1.772 35.050 ( 2.186 0.000 8.677) 8.948 35.081 ( -0.932 0.000 5.573) 5.651 36.297 ( 20.898 0.000 -5.647) 21.647 36.751 ( -23.898 0.000 -10.252) 26.004 38.283 ( 3.990 0.000 0.859) 4.082 38.313 ( 1.024 0.000 0.518) 1.148 41.044 ( 17.249 0.000 2.249) 17.395 41.325 ( -10.691 0.000 -2.196) 10.914 ======================= Grid point 110 (37/120) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.000 32.981 38.274) 50.524 1.534 ( 0.000 37.875 36.476) 52.583 2.308 ( 0.000 51.562 59.946) 79.071 4.343 ( 0.000 16.529 -32.664) 36.608 4.874 ( 0.000 6.934 -34.125) 34.822 5.491 ( 0.000 -15.607 13.588) 20.693 6.182 ( 0.000 5.647 7.570) 9.444 6.616 ( 0.000 1.809 19.350) 19.434 6.687 ( 0.000 1.038 23.680) 23.703 7.178 ( 0.000 -17.477 3.180) 17.764 7.396 ( 0.000 -23.459 -5.893) 24.188 7.878 ( 0.000 -10.690 -12.581) 16.509 8.157 ( 0.000 2.724 -6.968) 7.482 8.311 ( 0.000 10.685 -2.224) 10.914 8.600 ( 0.000 -8.053 -5.632) 9.828 8.670 ( 0.000 11.203 2.331) 11.443 8.672 ( 0.000 3.536 2.950) 4.605 9.073 ( 0.000 -11.990 -2.742) 12.300 9.115 ( 0.000 -8.759 1.647) 8.913 9.127 ( 0.000 10.305 2.473) 10.597 9.611 ( 0.000 -0.088 -7.756) 7.756 9.654 ( 0.000 -1.687 -2.841) 3.304 9.891 ( 0.000 7.428 -0.127) 7.429 10.121 ( 0.000 6.826 -1.903) 7.086 10.131 ( 0.000 -6.033 -0.068) 6.034 10.248 ( 0.000 -0.330 -15.960) 15.963 10.531 ( 0.000 -2.038 -1.886) 2.776 10.551 ( 0.000 18.486 -14.101) 23.250 11.284 ( 0.000 -9.322 8.536) 12.639 11.340 ( 0.000 -12.244 0.782) 12.269 11.725 ( 0.000 -11.109 -1.833) 11.259 11.989 ( 0.000 -13.781 -0.723) 13.800 12.141 ( 0.000 -1.991 3.789) 4.280 12.325 ( 0.000 0.515 7.108) 7.126 12.430 ( 0.000 -7.463 0.977) 7.526 12.538 ( 0.000 2.801 -5.643) 6.300 12.883 ( 0.000 9.369 5.356) 10.792 13.305 ( 0.000 -4.438 6.196) 7.622 13.581 ( 0.000 -1.675 24.783) 24.839 13.752 ( 0.000 5.308 -10.277) 11.567 14.709 ( 0.000 2.623 -9.402) 9.761 14.780 ( 0.000 -20.582 22.630) 30.590 16.128 ( 0.000 4.648 5.698) 7.354 16.726 ( 0.000 1.021 -3.171) 3.331 16.893 ( 0.000 1.715 3.923) 4.281 17.488 ( 0.000 -2.327 -4.433) 5.006 18.534 ( 0.000 20.355 0.969) 20.378 19.323 ( 0.000 20.248 -18.274) 27.275 19.944 ( 0.000 -0.971 -0.053) 0.972 20.039 ( 0.000 0.889 0.662) 1.109 20.317 ( 0.000 -0.260 -1.522) 1.544 21.297 ( 0.000 72.525 -81.499) 109.096 22.174 ( 0.000 0.142 -0.975) 0.985 22.197 ( 0.000 2.100 -0.411) 2.140 26.406 ( 0.000 1.471 0.182) 1.482 26.417 ( 0.000 1.808 -0.907) 2.023 26.845 ( 0.000 -0.919 1.970) 2.174 27.106 ( 0.000 -2.674 -1.934) 3.300 34.508 ( 0.000 1.997 5.162) 5.535 35.135 ( 0.000 6.527 -3.715) 7.510 37.041 ( 0.000 -83.095 87.600) 120.742 37.540 ( 0.000 1.411 3.097) 3.403 37.864 ( 0.000 -3.186 2.885) 4.298 38.007 ( 0.000 2.789 -1.907) 3.378 38.847 ( 0.000 -14.664 0.547) 14.674 39.006 ( 0.000 -6.622 -4.889) 8.231 ======================= Grid point 111 (38/120) ======================= q-point: ( 0.09 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 27.266 37.075 23.025) 51.460 1.909 ( 33.058 20.362 37.739) 54.145 2.992 ( 61.346 37.563 42.902) 83.755 4.440 ( 9.126 13.804 -32.812) 36.748 5.002 ( 9.497 3.329 -31.494) 33.063 5.545 ( 5.878 -11.638 11.101) 17.124 6.138 ( -2.990 7.067 11.518) 13.840 6.604 ( 1.002 -1.264 17.102) 17.178 6.766 ( 5.603 -1.502 24.023) 24.713 7.234 ( 0.629 -15.983 -3.760) 16.432 7.326 ( 0.313 -17.685 -2.961) 17.934 7.930 ( 0.670 -15.737 -5.992) 16.853 8.113 ( -8.986 10.250 -5.917) 14.860 8.187 ( -4.783 3.868 -6.234) 8.758 8.434 ( -13.116 -0.886 6.521) 14.674 8.524 ( -7.456 -6.264 -5.179) 11.030 8.857 ( 5.821 15.134 -2.803) 16.456 8.927 ( -8.352 0.592 -2.721) 8.804 9.061 ( -2.172 6.138 2.516) 6.980 9.274 ( 7.060 -8.957 1.453) 11.497 9.477 ( -7.669 -2.117 -9.420) 12.330 9.803 ( 5.497 -5.779 0.511) 7.992 9.895 ( 1.089 5.823 -1.103) 6.026 10.046 ( -6.698 10.514 -1.605) 12.569 10.104 ( -1.131 -5.362 -2.949) 6.223 10.278 ( 0.256 -0.305 -14.844) 14.849 10.447 ( -5.291 0.455 -1.048) 5.413 10.552 ( -0.431 12.839 -12.067) 17.624 11.147 ( -11.931 -9.554 11.073) 18.874 11.405 ( 4.001 -3.534 0.654) 5.378 11.509 ( -7.216 -2.671 1.998) 7.950 11.912 ( -11.196 -14.108 -0.467) 18.017 12.056 ( -4.876 6.660 -0.325) 8.260 12.282 ( 6.356 -3.675 -0.066) 7.342 12.440 ( -1.543 4.324 13.499) 14.259 12.522 ( -1.440 2.578 -4.859) 5.686 12.687 ( -8.087 7.020 3.694) 11.328 13.482 ( -1.454 -3.848 13.539) 14.150 13.759 ( 18.304 -11.895 6.986) 22.920 13.951 ( 8.010 -2.683 -7.325) 11.181 14.436 ( -15.339 -1.033 -0.005) 15.374 15.245 ( 25.296 -32.335 -3.482) 41.201 16.216 ( 8.312 3.756 5.469) 10.635 16.785 ( 5.345 -1.690 -0.227) 5.610 16.950 ( 5.358 1.263 4.005) 6.808 17.500 ( 1.112 -2.194 -4.128) 4.806 18.510 ( -2.369 19.589 1.023) 19.758 19.091 ( -20.810 25.676 -10.355) 34.635 19.866 ( -6.245 -0.231 -1.802) 6.504 20.038 ( -1.732 -1.733 -0.482) 2.497 20.106 ( -16.190 3.132 -2.478) 16.675 21.009 ( -18.114 56.479 -40.385) 71.756 22.156 ( -0.866 -1.117 -0.360) 1.458 22.223 ( 1.639 2.711 -0.395) 3.192 26.420 ( 1.488 0.991 0.247) 1.805 26.453 ( 3.040 2.026 -0.473) 3.684 26.865 ( 1.933 -1.119 1.926) 2.949 27.119 ( 1.169 -2.645 -1.946) 3.486 34.568 ( 5.590 1.652 5.167) 7.789 35.124 ( -0.771 5.048 -1.767) 5.403 36.043 ( -35.390 -11.625 58.373) 69.245 37.600 ( 5.847 1.402 2.803) 6.633 37.980 ( 0.745 2.691 -2.747) 3.917 38.482 ( -3.769 -9.573 -12.807) 16.427 38.853 ( 19.890 -22.958 6.842) 31.136 40.054 ( 63.930 -47.650 -15.456) 81.219 ======================= Grid point 112 (39/120) ======================= q-point: ( 0.18 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 37.055 29.039 14.414) 49.235 2.677 ( 41.339 13.206 27.257) 51.247 4.417 ( 68.381 19.775 18.806) 73.625 4.713 ( 22.420 9.473 -25.584) 35.312 5.094 ( -0.828 0.763 -18.274) 18.309 5.695 ( 5.515 -4.168 6.463) 9.463 6.220 ( 14.264 2.940 8.607) 16.917 6.624 ( 0.225 -5.910 12.399) 13.738 6.908 ( 8.433 -7.225 25.869) 28.152 7.090 ( -9.827 -8.216 -8.365) 15.298 7.519 ( 11.010 -6.517 -1.564) 12.890 7.764 ( -16.015 -5.396 -1.869) 17.003 7.883 ( -11.181 8.789 -1.111) 14.265 8.072 ( -8.304 -14.485 0.028) 16.696 8.181 ( -12.421 -9.406 1.919) 15.698 8.381 ( -6.316 3.734 -8.568) 11.280 8.775 ( -6.411 5.492 -3.167) 9.016 8.850 ( -5.413 14.339 -2.496) 15.529 9.006 ( -5.646 10.575 1.308) 12.059 9.294 ( -6.145 -1.959 2.284) 6.842 9.375 ( -2.033 2.480 -6.573) 7.314 9.795 ( -4.762 -3.554 -4.688) 7.568 9.907 ( -2.326 0.002 -1.211) 2.622 9.972 ( 2.544 8.490 -0.678) 8.889 10.075 ( -1.773 -3.329 -0.294) 3.783 10.257 ( -0.126 -2.563 -14.424) 14.650 10.370 ( -1.325 0.587 -2.636) 3.008 10.584 ( 4.204 6.008 -8.230) 11.023 10.983 ( -2.924 -2.358 9.185) 9.923 11.489 ( 2.766 -5.868 1.020) 6.567 11.499 ( 3.914 -1.944 3.840) 5.818 11.639 ( -13.546 -8.849 -4.943) 16.918 11.998 ( -2.235 8.504 -0.295) 8.798 12.397 ( 3.343 0.827 -2.163) 4.067 12.405 ( -0.825 1.951 6.794) 7.116 12.495 ( -0.469 -0.377 -2.588) 2.657 12.613 ( 0.320 0.139 6.145) 6.155 13.452 ( -1.024 -3.419 13.043) 13.522 13.864 ( -12.414 -6.473 -9.994) 17.201 14.102 ( 3.700 -7.228 8.666) 11.876 14.132 ( -5.764 -1.924 3.268) 6.900 15.516 ( 0.559 -30.355 -15.000) 33.863 16.434 ( 12.250 2.071 6.142) 13.859 16.903 ( 5.225 -4.086 4.016) 7.753 17.088 ( 7.769 0.342 4.031) 8.759 17.526 ( 1.272 -1.625 -3.501) 4.064 18.439 ( -4.854 17.042 0.902) 17.743 18.663 ( -17.571 20.563 -0.867) 27.062 19.683 ( -14.109 -0.769 -1.362) 14.195 19.789 ( -10.196 0.803 -4.449) 11.153 20.005 ( -2.880 1.044 0.448) 3.096 20.710 ( -12.260 37.055 -16.760) 42.477 22.147 ( 0.019 -2.481 -0.119) 2.484 22.251 ( 1.077 3.134 -0.276) 3.326 26.464 ( 2.756 0.585 0.285) 2.832 26.523 ( 3.555 1.921 -0.464) 4.067 26.918 ( 3.153 -1.475 1.626) 3.842 27.147 ( 1.422 -2.682 -1.804) 3.531 34.712 ( 8.141 0.999 6.604) 10.531 35.124 ( 1.030 4.102 -0.652) 4.279 35.674 ( -6.636 0.326 29.850) 30.580 37.764 ( 9.906 1.566 2.075) 10.242 38.017 ( 0.097 2.405 -5.841) 6.318 38.202 ( -15.681 -8.045 -12.104) 21.381 39.385 ( 29.328 -14.046 9.199) 33.794 40.930 ( 25.782 -37.449 -17.665) 48.777 ======================= Grid point 113 (40/120) ======================= q-point: ( 0.27 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 39.739 22.055 9.577) 46.447 3.526 ( 41.902 9.165 16.770) 46.055 4.884 ( 2.346 -3.403 -13.361) 13.985 5.146 ( 13.250 13.722 -17.797) 26.089 5.598 ( 11.197 -2.811 1.214) 11.608 6.082 ( 52.351 7.417 18.516) 56.023 6.489 ( 3.221 -7.591 -0.852) 8.290 6.666 ( 7.434 -3.937 3.836) 9.246 6.869 ( -9.308 -5.857 -1.052) 11.048 7.108 ( 9.516 -4.502 23.145) 25.426 7.334 ( -17.320 8.976 -1.024) 19.535 7.601 ( -9.573 15.361 -2.687) 18.298 7.754 ( -8.196 -13.027 -0.369) 15.395 7.915 ( -14.935 -4.671 2.109) 15.790 7.937 ( 3.329 -15.055 5.608) 16.406 8.192 ( -11.214 -8.593 -3.096) 14.463 8.619 ( -11.781 7.573 -1.975) 14.144 8.756 ( -2.985 9.557 -2.561) 10.334 8.822 ( -10.214 8.858 -2.236) 13.704 9.147 ( -6.992 9.173 3.508) 12.056 9.287 ( -4.945 16.767 -0.782) 17.498 9.707 ( -2.910 -1.880 -10.712) 11.258 9.887 ( -0.461 -2.397 -6.284) 6.741 9.992 ( -1.547 -6.489 -8.692) 10.957 10.126 ( 8.042 2.207 -1.165) 8.420 10.282 ( 2.009 -0.856 -4.613) 5.103 10.446 ( 8.853 -0.234 2.317) 9.155 10.713 ( 7.683 -2.536 -4.107) 9.073 10.980 ( 2.246 -0.450 6.340) 6.741 11.318 ( -13.274 -9.644 -1.862) 16.513 11.593 ( 5.292 -5.884 2.238) 8.224 11.623 ( 5.956 1.510 -1.140) 6.249 11.965 ( -0.911 6.001 0.122) 6.070 12.384 ( -0.645 1.748 -0.228) 1.878 12.440 ( 0.742 3.028 -0.166) 3.122 12.503 ( 0.822 -0.997 -0.368) 1.344 12.667 ( 3.746 -3.630 3.484) 6.273 13.402 ( -14.613 -5.207 -1.760) 15.612 13.491 ( -8.881 -1.085 6.815) 11.247 13.958 ( -6.574 -4.257 3.061) 8.409 14.214 ( -0.728 -8.933 5.817) 10.685 15.316 ( -18.807 -21.535 -15.512) 32.528 16.669 ( 10.440 1.092 6.205) 12.194 16.973 ( 1.901 -1.336 5.126) 5.628 17.246 ( 7.423 -0.575 2.560) 7.873 17.544 ( 0.383 -0.670 -3.296) 3.385 18.314 ( -5.963 9.938 0.056) 11.590 18.439 ( -6.403 12.272 1.761) 13.953 19.393 ( -11.936 2.161 -0.323) 12.134 19.630 ( -7.216 -1.107 -2.377) 7.677 19.947 ( -2.446 3.062 0.171) 3.923 20.488 ( -10.167 27.236 -9.320) 30.530 22.156 ( 0.789 -3.099 -0.022) 3.198 22.264 ( 0.134 2.588 -0.179) 2.597 26.524 ( 3.113 0.400 -0.037) 3.139 26.587 ( 2.653 1.586 -0.563) 3.142 26.986 ( 3.403 -1.904 1.153) 4.067 27.169 ( 0.663 -2.740 -1.536) 3.211 34.871 ( 7.050 0.444 9.144) 11.554 35.157 ( 1.579 6.104 -0.644) 6.338 35.673 ( 5.868 -0.572 13.340) 14.585 37.684 ( -24.076 -7.959 -16.224) 30.103 37.983 ( 11.026 2.373 1.542) 11.383 38.193 ( 6.244 4.979 0.239) 7.990 39.981 ( 28.802 -11.494 7.811) 31.979 41.244 ( 7.833 -23.807 -11.457) 27.557 ======================= Grid point 114 (41/120) ======================= q-point: ( 0.36 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.049 ( 38.998 17.212 6.186) 43.075 4.328 ( 36.210 5.461 7.895) 37.461 4.879 ( 1.061 -3.817 -0.826) 4.047 5.492 ( 14.577 13.194 -16.776) 25.846 5.652 ( 0.705 -7.029 3.942) 8.090 6.331 ( -11.380 -4.296 -2.711) 12.462 6.549 ( -14.589 3.886 0.035) 15.097 6.583 ( -3.589 -3.107 2.325) 5.286 6.963 ( -3.557 5.159 -5.592) 8.399 7.316 ( -9.555 2.442 -3.061) 10.326 7.351 ( -3.548 -3.775 8.794) 10.207 7.413 ( 21.346 -0.941 5.387) 22.035 7.512 ( -5.627 2.000 12.298) 13.671 7.720 ( 10.530 -3.136 7.919) 13.543 7.976 ( -5.846 -7.310 1.569) 9.490 8.125 ( 6.417 -5.469 3.500) 9.129 8.299 ( -16.695 6.868 5.317) 18.819 8.504 ( -17.694 -3.744 4.963) 18.755 8.830 ( 7.152 8.017 -10.561) 15.066 9.109 ( 3.687 16.772 2.716) 17.386 9.195 ( -4.426 19.000 1.816) 19.593 9.682 ( 0.283 -0.619 -12.447) 12.466 9.849 ( -3.651 -2.347 -14.416) 15.055 9.957 ( -1.991 -5.143 -11.538) 12.788 10.273 ( 3.625 -3.217 -1.748) 5.152 10.376 ( 8.809 2.065 4.434) 10.076 10.620 ( 2.557 -3.723 11.066) 11.952 10.803 ( -0.645 -2.403 4.777) 5.386 11.142 ( 14.651 -2.238 -1.164) 14.866 11.166 ( 3.041 -8.063 -7.076) 11.150 11.694 ( 4.137 -5.250 2.048) 6.991 11.758 ( 7.355 -0.329 0.656) 7.391 11.952 ( -0.731 1.145 0.335) 1.400 12.379 ( -0.244 1.352 -3.193) 3.476 12.439 ( -0.650 3.422 -0.543) 3.525 12.479 ( -5.303 0.754 -0.755) 5.409 12.726 ( 1.898 -4.833 1.184) 5.326 13.005 ( -15.051 -3.212 -1.601) 15.473 13.496 ( 2.552 -3.111 8.565) 9.463 13.826 ( -6.595 -4.413 3.973) 8.874 14.107 ( -7.856 -8.161 1.746) 11.462 14.826 ( -27.831 -14.716 -13.094) 34.097 16.843 ( 6.686 0.980 4.657) 8.207 16.993 ( 0.308 1.019 3.616) 3.770 17.374 ( 5.217 -0.973 0.145) 5.309 17.540 ( -0.802 -0.233 -3.435) 3.535 18.242 ( -1.478 4.057 0.370) 4.333 18.335 ( -4.263 7.022 1.775) 8.404 19.242 ( -3.022 2.623 1.577) 4.301 19.486 ( -7.034 -1.852 -0.304) 7.280 19.925 ( 0.644 7.528 -0.076) 7.555 20.290 ( -9.450 21.618 -5.177) 24.154 22.177 ( 1.313 -2.863 0.020) 3.150 22.257 ( -0.746 1.275 -0.091) 1.480 26.583 ( 2.598 0.403 -0.372) 2.656 26.628 ( 1.349 1.196 -0.638) 1.912 27.052 ( 3.040 -2.320 0.584) 3.868 27.171 ( -0.553 -2.763 -1.137) 3.038 34.990 ( 4.942 1.003 9.480) 10.738 35.167 ( -0.629 6.672 2.568) 7.177 35.893 ( 15.175 -2.655 1.672) 15.496 37.184 ( -24.862 -6.599 -13.313) 28.963 38.191 ( 9.062 3.524 1.032) 9.777 38.313 ( 4.930 5.912 0.435) 7.710 40.516 ( 23.787 -10.699 5.235) 26.603 41.300 ( -1.652 -16.413 -6.106) 17.590 ======================= Grid point 115 (42/120) ======================= q-point: ( 0.45 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.788 ( 30.748 10.752 1.152) 32.594 4.878 ( 14.551 -1.252 0.687) 14.621 4.962 ( 8.390 -2.568 3.699) 9.522 5.432 ( -20.731 12.280 -1.171) 24.124 5.745 ( 9.692 -0.916 8.896) 13.187 6.070 ( -16.958 2.390 1.269) 17.173 6.410 ( 8.209 1.393 -10.167) 13.141 6.596 ( 7.078 3.680 -5.108) 9.473 6.728 ( -17.169 -0.692 -9.580) 19.673 6.892 ( -18.261 7.368 -9.887) 22.034 7.395 ( 1.988 -6.995 6.005) 9.430 7.446 ( -1.359 -7.878 3.574) 8.757 7.666 ( 9.785 -1.891 18.109) 20.670 7.824 ( -5.162 4.512 7.863) 10.432 8.008 ( -3.122 -2.648 12.011) 12.689 8.143 ( -9.325 2.413 5.852) 11.270 8.192 ( 4.039 -0.107 2.405) 4.702 8.238 ( 1.768 0.408 0.277) 1.835 8.999 ( 6.578 9.188 -3.681) 11.884 9.103 ( -4.511 15.117 0.379) 15.780 9.354 ( 19.652 6.893 -2.840) 21.018 9.662 ( -7.004 -2.146 -8.940) 11.558 9.785 ( 1.038 0.961 -18.585) 18.638 9.882 ( -5.772 2.277 -14.084) 15.390 10.345 ( 5.125 -4.720 6.242) 9.355 10.496 ( -7.826 -4.347 8.413) 12.285 10.572 ( 6.896 -0.923 7.956) 10.569 10.717 ( -6.246 -1.255 5.760) 8.588 11.376 ( 12.519 -7.194 -2.869) 14.722 11.460 ( 9.063 -6.095 -2.903) 11.301 11.758 ( 3.831 -3.875 1.806) 5.740 11.860 ( -2.079 0.271 1.590) 2.631 11.977 ( 7.838 -3.850 -0.311) 8.738 12.222 ( -14.279 -1.486 -2.819) 14.630 12.409 ( 0.622 2.451 -1.474) 2.927 12.427 ( -0.930 3.013 -1.267) 3.399 12.764 ( 2.392 -4.289 -0.100) 4.912 12.833 ( -4.644 -2.832 0.436) 5.457 13.572 ( 5.139 -3.956 5.626) 8.586 13.694 ( -6.435 -4.370 4.846) 9.165 14.024 ( 2.877 -6.600 -3.297) 7.918 14.289 ( -22.525 -9.136 -9.690) 26.168 16.942 ( 3.386 1.345 2.911) 4.663 16.986 ( -1.112 1.610 2.476) 3.156 17.459 ( 3.326 -0.770 -2.021) 3.968 17.512 ( -1.991 -0.407 -3.161) 3.758 18.237 ( 0.708 2.479 1.070) 2.792 18.268 ( -2.403 3.506 1.477) 4.500 19.252 ( 3.322 0.585 2.376) 4.127 19.351 ( -6.100 -1.395 1.457) 6.425 19.980 ( 4.808 12.857 -0.766) 13.748 20.112 ( -8.006 17.450 -2.372) 19.345 22.206 ( 1.514 -1.862 0.019) 2.400 22.236 ( -1.327 -0.357 -0.021) 1.374 26.625 ( 1.468 0.564 -0.577) 1.675 26.641 ( -0.065 0.839 -0.652) 1.065 27.107 ( 2.425 -2.605 -0.024) 3.559 27.148 ( -1.629 -2.735 -0.617) 3.242 35.075 ( 3.580 2.757 7.801) 9.015 35.136 ( -2.362 4.954 5.511) 7.778 36.256 ( 20.301 -3.895 -5.176) 21.310 36.697 ( -23.198 -5.131 -9.697) 25.661 38.332 ( 4.641 4.737 0.730) 6.672 38.372 ( 0.621 5.645 0.560) 5.707 40.927 ( 16.751 -11.011 1.972) 20.143 41.189 ( -9.278 -12.677 -1.766) 15.809 ======================= Grid point 121 (43/120) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.000 33.061 39.693) 51.658 2.241 ( 0.000 40.806 23.854) 47.267 3.657 ( 0.000 71.279 24.841) 75.484 4.654 ( 0.000 7.142 -23.514) 24.575 5.042 ( 0.000 8.464 -27.617) 28.885 5.327 ( 0.000 2.564 7.763) 8.175 6.100 ( 0.000 -7.349 21.321) 22.552 6.453 ( 0.000 -18.326 3.351) 18.630 6.845 ( 0.000 11.220 12.428) 16.743 6.870 ( 0.000 -25.859 -2.205) 25.953 7.004 ( 0.000 3.169 18.353) 18.625 7.597 ( 0.000 -15.982 -12.156) 20.080 8.150 ( 0.000 -4.840 -2.985) 5.687 8.442 ( 0.000 -2.943 -11.628) 11.995 8.533 ( 0.000 -6.887 -7.276) 10.019 8.649 ( 0.000 -6.350 -7.026) 9.470 8.820 ( 0.000 -8.776 0.968) 8.829 8.834 ( 0.000 8.401 2.461) 8.755 9.044 ( 0.000 5.849 -0.706) 5.891 9.313 ( 0.000 7.550 -1.148) 7.636 9.631 ( 0.000 1.412 -5.903) 6.070 9.670 ( 0.000 1.460 -5.316) 5.513 10.014 ( 0.000 2.235 3.701) 4.323 10.027 ( 0.000 4.420 -1.945) 4.829 10.253 ( 0.000 -13.409 2.281) 13.601 10.285 ( 0.000 4.267 1.531) 4.533 10.305 ( 0.000 -2.691 -6.020) 6.594 10.721 ( 0.000 -2.299 0.119) 2.302 11.178 ( 0.000 -4.703 0.175) 4.707 11.229 ( 0.000 2.533 1.697) 3.049 11.581 ( 0.000 0.207 -5.317) 5.321 11.640 ( 0.000 -18.304 -0.878) 18.325 12.157 ( 0.000 1.710 -4.351) 4.675 12.261 ( 0.000 -9.079 -1.886) 9.272 12.325 ( 0.000 -0.740 0.469) 0.876 12.618 ( 0.000 4.149 -9.614) 10.471 13.003 ( 0.000 2.255 4.133) 4.708 13.198 ( 0.000 -5.565 10.602) 11.974 13.542 ( 0.000 -1.873 23.863) 23.937 13.782 ( 0.000 -2.027 -11.643) 11.818 14.570 ( 0.000 -3.015 18.110) 18.359 14.767 ( 0.000 2.533 -7.086) 7.525 16.252 ( 0.000 7.040 5.542) 8.959 16.741 ( 0.000 0.064 0.250) 0.258 16.951 ( 0.000 3.905 0.546) 3.943 17.435 ( 0.000 -3.065 -4.691) 5.604 19.045 ( 0.000 25.774 2.130) 25.862 19.508 ( 0.000 4.449 -2.645) 5.176 19.929 ( 0.000 -0.595 -0.677) 0.901 20.053 ( 0.000 -0.174 -1.346) 1.357 20.359 ( 0.000 6.325 1.959) 6.622 21.996 ( 0.000 0.645 -16.137) 16.150 22.259 ( 0.000 3.803 -1.747) 4.185 22.355 ( 0.000 17.177 -44.038) 47.269 26.448 ( 0.000 2.493 -0.006) 2.493 26.463 ( 0.000 2.487 -1.503) 2.906 26.824 ( 0.000 -1.158 1.199) 1.667 27.031 ( 0.000 -4.434 -1.736) 4.762 34.567 ( 0.000 3.723 6.903) 7.843 35.234 ( 0.000 -0.582 10.172) 10.189 36.081 ( 0.000 -14.634 47.090) 49.311 37.580 ( 0.000 2.420 3.008) 3.860 37.799 ( 0.000 -3.241 1.813) 3.713 38.059 ( 0.000 1.795 -3.761) 4.167 38.441 ( 0.000 -23.035 -0.542) 23.042 38.848 ( 0.000 -8.942 -5.842) 10.681 ======================= Grid point 122 (44/120) ======================= q-point: ( 0.09 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 22.464 29.488 31.969) 48.951 2.585 ( 26.386 37.808 19.818) 50.184 4.040 ( 36.923 59.197 22.759) 73.387 4.694 ( 3.969 4.795 -21.167) 22.063 5.104 ( 5.631 9.324 -20.546) 23.255 5.439 ( 10.159 0.768 -0.493) 10.200 6.123 ( 1.484 -5.488 19.874) 20.671 6.474 ( 0.125 -15.275 5.824) 16.348 6.648 ( -6.654 -11.409 9.391) 16.206 7.024 ( 6.536 -5.185 13.596) 15.952 7.088 ( 7.029 3.894 4.054) 9.000 7.561 ( -2.978 -19.083 -11.083) 22.268 8.091 ( -6.243 -7.538 0.630) 9.808 8.328 ( -11.193 -1.087 -9.085) 14.457 8.460 ( -6.982 6.230 -9.900) 13.623 8.606 ( -6.646 6.800 -3.141) 10.014 8.682 ( 0.556 -10.712 -2.788) 11.083 8.974 ( 4.114 -14.981 1.822) 15.642 9.171 ( 6.033 13.645 -5.775) 15.998 9.296 ( 0.927 3.408 -0.204) 3.538 9.497 ( -6.329 7.755 -5.936) 11.638 9.788 ( 4.995 1.465 -0.974) 5.295 9.987 ( -1.724 0.722 -0.503) 1.935 10.052 ( 1.127 5.388 2.752) 6.154 10.189 ( -5.627 -10.553 0.521) 11.971 10.235 ( -4.852 -8.212 -0.932) 9.584 10.279 ( -1.926 4.268 -4.720) 6.648 10.713 ( -0.730 -0.972 -0.915) 1.522 11.084 ( -5.329 5.388 -2.500) 7.980 11.281 ( 1.400 -9.777 6.305) 11.718 11.461 ( -5.359 -8.398 1.506) 10.076 11.696 ( -0.930 2.073 -11.041) 11.272 12.148 ( -0.655 0.451 -3.679) 3.764 12.172 ( 1.986 -5.393 -2.033) 6.096 12.472 ( 4.113 -1.864 6.767) 8.135 12.599 ( -1.990 4.152 -7.404) 8.718 12.817 ( -12.481 4.886 1.042) 13.443 13.335 ( 5.898 -11.220 5.386) 13.772 13.512 ( 3.001 -7.795 16.725) 18.695 13.871 ( 3.885 -5.736 -3.572) 7.794 14.422 ( -12.565 0.772 6.505) 14.170 14.896 ( 9.094 -6.674 1.196) 11.343 16.320 ( 6.559 6.072 4.845) 10.167 16.779 ( 3.611 -0.181 0.416) 3.640 16.997 ( 4.306 3.388 1.235) 5.616 17.452 ( 1.595 -2.738 -4.342) 5.376 18.986 ( -5.658 22.885 1.933) 23.653 19.355 ( -15.531 6.794 -1.287) 17.001 19.861 ( -6.212 -0.192 -1.004) 6.296 19.992 ( -7.408 -2.330 -2.616) 8.195 20.238 ( -7.778 10.525 1.788) 13.208 21.828 ( -17.203 14.781 -26.669) 35.009 22.190 ( -7.183 8.069 -12.139) 16.250 22.303 ( 1.213 5.597 -4.596) 7.343 26.452 ( 1.006 2.138 -0.009) 2.363 26.503 ( 3.072 2.618 -1.037) 4.168 26.838 ( 1.448 -1.462 1.293) 2.430 27.044 ( 1.168 -4.439 -1.831) 4.941 34.619 ( 4.895 3.303 6.905) 9.085 35.193 ( -2.567 -0.723 11.970) 12.264 35.900 ( -10.582 1.822 29.243) 31.152 37.641 ( 5.990 2.483 2.431) 6.925 38.061 ( 3.955 5.096 -2.480) 6.911 38.216 ( -11.715 -17.426 -9.311) 22.970 38.320 ( 31.273 -22.334 1.165) 38.447 39.374 ( 40.558 -22.750 -0.489) 46.505 ======================= Grid point 123 (45/120) ======================= q-point: ( 0.18 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 34.679 22.300 22.659) 47.046 3.181 ( 31.714 35.789 12.364) 49.391 4.749 ( 5.815 -0.736 -13.865) 15.053 5.047 ( 50.551 30.628 11.530) 60.220 5.254 ( 9.754 16.507 -17.410) 25.898 5.658 ( 10.448 0.787 3.684) 11.107 6.186 ( 4.309 -8.151 6.005) 11.003 6.412 ( 0.826 -15.010 11.960) 19.210 6.663 ( 4.324 -7.679 17.621) 19.702 7.144 ( -1.904 6.079 -0.405) 6.383 7.210 ( 8.646 -12.326 6.126) 16.254 7.534 ( 1.706 -17.812 -5.005) 18.580 7.916 ( -9.880 -8.975 3.256) 13.739 8.044 ( -14.834 10.956 -3.816) 18.832 8.278 ( -10.248 15.037 -7.538) 19.697 8.449 ( -11.989 1.748 -6.514) 13.756 8.676 ( -1.846 -8.292 -1.721) 8.668 9.025 ( -2.083 -4.689 -6.002) 7.896 9.163 ( 1.261 -0.050 0.402) 1.325 9.293 ( -4.971 6.029 -8.597) 11.618 9.508 ( 5.348 12.382 -0.646) 13.503 9.804 ( -3.423 7.373 3.160) 8.722 9.934 ( -6.462 1.616 0.026) 6.661 10.011 ( -2.987 -4.024 0.994) 5.109 10.132 ( -1.608 1.839 0.395) 2.475 10.165 ( 1.533 -10.329 -4.680) 11.443 10.239 ( 0.493 -2.696 -4.294) 5.094 10.695 ( -0.985 0.593 -2.748) 2.979 11.017 ( -1.142 8.263 -0.764) 8.376 11.230 ( -7.060 -15.693 4.744) 17.850 11.400 ( 0.074 -9.139 2.477) 9.469 11.676 ( 0.497 11.088 -9.128) 14.371 12.120 ( -2.193 2.216 -4.136) 5.180 12.304 ( 8.169 -7.327 -1.879) 11.133 12.468 ( -3.345 -2.139 -3.534) 5.316 12.520 ( -4.007 6.950 6.594) 10.385 12.659 ( -2.860 3.006 0.653) 4.200 13.349 ( -1.394 -7.056 7.503) 10.393 13.613 ( -0.971 -16.932 1.291) 17.009 13.899 ( 0.012 -10.615 4.293) 11.450 14.129 ( -13.635 1.924 3.883) 14.307 15.008 ( -0.212 -16.950 -2.020) 17.072 16.498 ( 10.369 4.045 4.374) 11.958 16.873 ( 5.228 -0.405 0.817) 5.307 17.110 ( 6.430 2.044 2.198) 7.096 17.491 ( 2.042 -2.019 -3.539) 4.557 18.827 ( -10.315 17.062 1.366) 19.984 18.940 ( -21.614 8.244 0.211) 23.134 19.688 ( -11.185 1.312 -0.748) 11.286 19.790 ( -9.726 -0.169 -2.847) 10.136 20.149 ( -1.734 12.782 1.904) 13.039 21.426 ( -19.609 26.597 -18.330) 37.787 22.103 ( -2.197 -0.690 -1.769) 2.904 22.327 ( 0.568 4.114 -1.323) 4.359 26.488 ( 2.416 1.794 0.261) 3.021 26.569 ( 3.233 2.374 -0.869) 4.104 26.880 ( 2.553 -2.126 1.109) 3.502 27.071 ( 1.345 -4.490 -1.761) 5.007 34.749 ( 7.460 2.597 7.767) 11.078 35.188 ( 2.671 0.736 7.732) 8.213 35.748 ( -4.972 8.315 14.819) 17.705 37.809 ( 7.501 1.001 -0.922) 7.624 37.876 ( -15.898 -14.813 -11.816) 24.734 38.181 ( 7.328 6.844 -0.623) 10.046 39.009 ( 33.637 -20.312 3.189) 39.423 40.162 ( 33.094 -33.505 -3.802) 47.246 ======================= Grid point 124 (46/120) ======================= q-point: ( 0.27 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 35.950 18.449 11.580) 42.034 3.854 ( 34.853 29.135 10.416) 46.606 4.782 ( -0.526 -6.214 -5.424) 8.265 5.468 ( 7.471 9.124 -14.830) 18.947 5.561 ( 7.305 5.748 -4.067) 10.146 6.180 ( -0.544 -17.169 4.226) 17.690 6.317 ( 42.023 12.164 15.529) 46.423 6.703 ( 7.168 -0.162 7.758) 10.564 6.730 ( 19.411 -1.971 7.871) 21.039 7.084 ( -0.994 -0.607 4.929) 5.065 7.199 ( -8.784 -11.678 0.212) 14.615 7.576 ( -1.642 -13.630 2.698) 13.991 7.683 ( -13.891 -5.273 -1.589) 14.943 7.915 ( 4.972 18.487 -0.582) 19.153 8.049 ( -20.970 9.128 4.268) 23.265 8.118 ( -9.264 6.603 -6.421) 13.064 8.580 ( -8.378 -6.656 0.812) 10.731 8.947 ( -7.086 3.007 -16.006) 17.761 9.047 ( -10.047 16.171 -0.384) 19.042 9.339 ( 6.948 -8.274 0.644) 10.823 9.544 ( -1.108 12.223 0.372) 12.279 9.698 ( -6.811 10.367 3.693) 12.942 9.815 ( -1.746 -3.302 -4.719) 6.018 9.943 ( -4.351 -1.201 -8.697) 9.798 10.132 ( 1.984 -2.447 -1.943) 3.702 10.244 ( 6.554 -1.650 -0.629) 6.788 10.377 ( 11.221 -6.407 3.282) 13.332 10.680 ( -0.121 -1.745 -2.904) 3.390 11.002 ( -4.103 -2.623 2.182) 5.336 11.071 ( -3.425 -6.489 -1.700) 7.532 11.453 ( 4.314 -6.384 1.100) 7.784 11.704 ( 1.769 4.714 -2.499) 5.621 12.045 ( -4.939 1.339 -2.345) 5.629 12.413 ( 1.967 -3.688 -3.464) 5.429 12.467 ( 2.385 -0.104 -0.520) 2.443 12.486 ( 1.332 2.358 -1.940) 3.331 12.628 ( -0.846 0.715 4.837) 4.962 13.254 ( -13.607 -9.509 -3.831) 17.037 13.435 ( -7.057 -4.358 9.038) 12.267 13.827 ( -6.545 -9.258 5.818) 12.744 13.999 ( -2.180 -8.861 3.875) 9.914 14.855 ( -14.553 -20.157 -6.824) 25.781 16.707 ( 9.736 2.584 4.106) 10.878 16.969 ( 3.973 0.434 1.227) 4.180 17.241 ( 6.273 0.430 1.730) 6.521 17.524 ( 1.034 -1.360 -2.849) 3.322 18.533 ( -13.806 9.436 -0.229) 16.725 18.651 ( -10.415 7.629 1.578) 13.006 19.455 ( -10.406 3.492 -0.050) 10.976 19.616 ( -8.148 -0.140 -1.478) 8.283 20.148 ( 1.620 15.888 1.957) 16.090 21.072 ( -15.646 26.376 -9.752) 32.181 22.084 ( 0.137 -3.524 -0.266) 3.537 22.319 ( -1.310 2.667 -0.617) 3.035 26.544 ( 2.932 1.499 0.112) 3.295 26.625 ( 2.239 1.994 -0.781) 3.099 26.934 ( 2.767 -2.890 0.752) 4.071 27.092 ( 0.617 -4.557 -1.497) 4.836 34.901 ( 7.300 2.562 9.056) 11.911 35.287 ( 5.727 4.683 0.540) 7.418 35.695 ( 0.460 4.309 9.656) 10.584 37.444 ( -22.213 -14.995 -13.952) 30.214 38.062 ( 12.726 5.395 0.996) 13.858 38.345 ( 8.166 9.503 0.322) 12.534 39.660 ( 30.389 -18.508 3.782) 35.782 40.658 ( 16.559 -30.419 -4.517) 34.928 ======================= Grid point 125 (47/120) ======================= q-point: ( 0.36 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.434 ( 28.029 9.969 2.647) 29.866 4.549 ( 32.111 22.124 6.975) 39.614 4.779 ( 2.375 -4.162 3.536) 5.956 5.487 ( 2.203 -7.569 5.779) 9.775 5.832 ( 13.432 16.955 -15.337) 26.516 6.207 ( 1.479 -5.905 0.769) 6.136 6.539 ( -8.133 0.490 2.968) 8.672 6.692 ( -7.575 8.554 1.445) 11.517 6.939 ( 0.269 -9.985 -2.348) 10.260 7.146 ( 2.233 -12.672 7.151) 14.721 7.303 ( -16.206 -1.548 1.304) 16.332 7.472 ( -3.193 4.386 -7.897) 9.581 7.561 ( -5.453 -1.603 14.386) 15.468 7.734 ( 26.000 7.107 6.708) 27.776 7.981 ( -0.455 9.937 -0.888) 9.987 8.145 ( 7.552 9.189 1.588) 12.000 8.351 ( -12.862 -3.545 2.925) 13.659 8.594 ( -21.602 11.489 0.972) 24.487 9.012 ( 2.695 8.617 -13.001) 15.828 9.419 ( 0.172 3.499 0.262) 3.513 9.570 ( -4.570 15.697 5.271) 17.178 9.582 ( 5.212 -0.989 -1.065) 5.411 9.814 ( -1.499 -2.872 -9.307) 9.855 9.864 ( -0.943 -1.495 -9.665) 9.825 10.180 ( 2.075 -5.236 -2.455) 6.144 10.398 ( 7.497 -0.630 4.449) 8.740 10.537 ( -1.454 -4.261 6.828) 8.179 10.735 ( 3.554 -4.654 4.376) 7.311 10.935 ( 7.194 -12.262 -6.973) 15.835 11.134 ( 7.239 1.640 -1.917) 7.666 11.547 ( 4.485 -7.384 1.006) 8.698 11.752 ( 3.581 -1.942 -0.143) 4.076 11.940 ( -5.393 -1.798 -0.895) 5.755 12.421 ( -2.615 1.728 -3.258) 4.521 12.481 ( -1.966 -0.218 -4.141) 4.589 12.516 ( -0.752 1.833 -1.369) 2.408 12.603 ( -0.591 -5.192 2.990) 6.020 12.908 ( -13.472 -5.906 -0.707) 14.726 13.409 ( 1.202 -5.021 7.549) 9.146 13.692 ( -6.701 -8.563 4.649) 11.826 13.924 ( -4.478 -7.969 3.114) 9.657 14.474 ( -21.331 -17.170 -8.640) 28.714 16.876 ( 6.861 2.240 2.930) 7.789 17.025 ( 1.545 1.846 1.192) 2.686 17.354 ( 4.895 -0.727 0.001) 4.949 17.528 ( -0.715 -1.032 -2.663) 2.944 18.348 ( -5.071 5.460 -0.008) 7.451 18.462 ( -8.011 4.656 1.399) 9.371 19.301 ( -4.562 2.858 0.944) 5.466 19.459 ( -7.236 -0.639 -0.368) 7.274 20.216 ( 5.095 19.291 1.661) 20.022 20.785 ( -12.962 24.558 -4.821) 28.184 22.104 ( 1.825 -4.109 0.079) 4.497 22.278 ( -2.692 0.598 -0.210) 2.766 26.601 ( 2.595 1.314 -0.200) 2.915 26.658 ( 0.970 1.655 -0.725) 2.051 26.988 ( 2.517 -3.610 0.351) 4.415 27.093 ( -0.529 -4.548 -1.094) 4.707 35.040 ( 6.565 3.808 8.456) 11.362 35.342 ( -1.002 9.697 0.896) 9.790 35.821 ( 12.199 -3.860 2.684) 13.074 36.989 ( -22.556 -12.034 -11.496) 28.031 38.305 ( 10.796 7.581 0.647) 13.207 38.485 ( 5.208 10.498 0.545) 11.732 40.213 ( 24.000 -17.872 3.002) 30.074 40.859 ( 3.974 -24.892 -2.992) 25.384 ======================= Grid point 126 (48/120) ======================= q-point: ( 0.45 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.748 ( 5.561 -8.537 1.535) 10.304 4.802 ( 1.274 -7.701 4.423) 8.971 5.237 ( 31.373 23.476 4.150) 39.403 5.693 ( 8.774 7.146 3.035) 11.716 5.855 ( -7.903 17.111 3.844) 19.236 6.131 ( -9.749 3.147 -1.560) 10.362 6.419 ( 2.115 -0.246 -0.162) 2.136 6.696 ( 9.337 3.163 -5.489) 11.283 6.708 ( -17.942 0.454 -7.739) 19.545 7.004 ( -14.675 0.681 -5.125) 15.559 7.180 ( 4.702 -11.231 5.639) 13.418 7.289 ( -6.026 -4.296 -3.173) 8.052 7.683 ( 12.999 1.862 14.539) 19.591 7.948 ( -5.920 6.417 1.570) 8.871 8.059 ( -5.738 7.257 8.941) 12.866 8.125 ( -8.567 -0.140 6.721) 10.890 8.302 ( 7.618 7.294 -0.551) 10.561 8.339 ( 1.753 10.905 -1.238) 11.114 9.135 ( 9.309 3.666 -10.791) 14.715 9.328 ( -8.451 1.985 -5.564) 10.311 9.571 ( 3.875 12.765 4.269) 14.006 9.647 ( -1.856 4.683 1.688) 5.313 9.814 ( 4.751 -0.567 -12.692) 13.564 9.881 ( -0.189 -2.329 -7.855) 8.195 10.230 ( 4.392 -5.744 1.704) 7.429 10.385 ( -9.371 -5.498 3.132) 11.307 10.557 ( 7.148 -1.022 7.810) 10.636 10.689 ( -5.269 -1.598 7.109) 8.991 11.212 ( 12.249 -8.550 -2.874) 15.211 11.309 ( 5.101 -6.526 -1.794) 8.475 11.636 ( 6.034 -7.722 0.570) 9.816 11.789 ( -6.199 -8.607 0.360) 10.613 11.907 ( 8.646 -1.224 -1.136) 8.806 12.174 ( -16.180 -3.155 -3.032) 16.761 12.470 ( 0.805 2.858 -1.393) 3.279 12.491 ( -1.240 2.283 -1.508) 3.004 12.645 ( 3.212 -6.389 -0.394) 7.161 12.736 ( -5.999 -6.273 0.344) 8.686 13.458 ( 3.899 -6.701 3.748) 8.611 13.563 ( -6.012 -7.968 3.662) 10.632 13.891 ( 2.890 -5.194 0.315) 5.952 14.079 ( -15.751 -9.618 -5.951) 19.391 16.983 ( 3.787 2.472 1.601) 4.798 17.031 ( -1.020 2.544 1.066) 2.941 17.439 ( 3.518 -1.110 -1.665) 4.047 17.497 ( -2.263 -1.056 -2.498) 3.532 18.301 ( -0.047 3.353 0.730) 3.432 18.340 ( -3.944 3.156 1.194) 5.191 19.269 ( 1.094 1.014 1.251) 1.947 19.333 ( -4.999 -0.339 0.640) 5.051 20.352 ( 8.283 21.598 0.529) 23.138 20.545 ( -10.826 23.080 -1.593) 25.543 22.153 ( 2.916 -3.300 0.136) 4.406 22.217 ( -3.237 -1.570 0.035) 3.598 26.644 ( 1.625 1.285 -0.469) 2.124 26.664 ( -0.351 1.409 -0.636) 1.585 27.035 ( 2.115 -4.133 -0.106) 4.644 27.072 ( -1.500 -4.425 -0.606) 4.712 35.166 ( 5.941 5.980 6.516) 10.654 35.276 ( -4.758 8.494 4.114) 10.569 36.141 ( 18.540 -7.067 -3.827) 20.206 36.545 ( -21.232 -9.377 -8.131) 24.593 38.478 ( 5.989 9.331 0.541) 11.101 38.539 ( -0.061 10.360 0.548) 10.375 40.614 ( 15.540 -18.535 1.300) 24.222 40.834 ( -6.206 -20.793 -0.835) 21.716 ======================= Grid point 132 (49/120) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 0.000 34.281 31.152) 46.321 3.088 ( 0.000 40.522 15.875) 43.520 4.595 ( 0.000 -10.033 2.246) 10.282 4.890 ( 0.000 17.317 1.201) 17.359 5.332 ( 0.000 45.291 0.615) 45.295 5.373 ( 0.000 -3.319 -0.157) 3.323 6.073 ( 0.000 -16.345 -5.901) 17.378 6.219 ( 0.000 21.769 13.252) 25.485 6.395 ( 0.000 -15.676 -5.828) 16.724 7.014 ( 0.000 -0.837 -5.678) 5.740 7.177 ( 0.000 11.202 19.576) 22.555 7.296 ( 0.000 -6.963 -1.219) 7.069 7.972 ( 0.000 -11.143 7.100) 13.213 8.080 ( 0.000 -25.128 -3.477) 25.368 8.270 ( 0.000 -26.173 2.494) 26.291 8.462 ( 0.000 1.221 -17.629) 17.672 8.885 ( 0.000 -10.618 3.010) 11.037 8.982 ( 0.000 14.255 -9.295) 17.018 9.213 ( 0.000 4.965 -7.392) 8.905 9.402 ( 0.000 -2.361 -9.165) 9.464 9.544 ( 0.000 -3.192 -3.394) 4.659 9.609 ( 0.000 -2.795 -4.305) 5.133 9.921 ( 0.000 -6.971 -7.022) 9.895 10.171 ( 0.000 6.717 -1.067) 6.802 10.201 ( 0.000 12.441 8.149) 14.872 10.291 ( 0.000 0.489 6.540) 6.558 10.475 ( 0.000 10.330 4.849) 11.412 10.646 ( 0.000 -2.687 -0.698) 2.776 11.006 ( 0.000 -9.207 9.778) 13.430 11.186 ( 0.000 -14.519 3.467) 14.927 11.416 ( 0.000 2.251 -3.256) 3.959 11.637 ( 0.000 0.067 -5.263) 5.263 12.077 ( 0.000 -7.457 -5.394) 9.204 12.173 ( 0.000 -1.472 -9.106) 9.224 12.333 ( 0.000 3.789 -7.923) 8.783 12.682 ( 0.000 1.219 -12.081) 12.142 13.002 ( 0.000 -1.317 5.004) 5.174 13.094 ( 0.000 -4.167 12.714) 13.380 13.511 ( 0.000 -1.013 18.398) 18.426 13.691 ( 0.000 -5.941 -7.709) 9.733 14.588 ( 0.000 3.583 12.773) 13.266 14.796 ( 0.000 0.034 -3.150) 3.150 16.404 ( 0.000 7.418 5.133) 9.021 16.722 ( 0.000 -1.975 2.654) 3.309 17.047 ( 0.000 5.208 -1.718) 5.484 17.360 ( 0.000 -4.128 -4.255) 5.928 19.467 ( 0.000 13.530 1.165) 13.580 19.583 ( 0.000 3.103 -0.371) 3.125 19.920 ( 0.000 -0.280 -0.357) 0.453 20.018 ( 0.000 -2.897 -1.901) 3.465 20.645 ( 0.000 21.123 4.870) 21.677 21.872 ( 0.000 -10.304 -0.902) 10.343 22.349 ( 0.000 4.866 -4.607) 6.701 22.556 ( 0.000 3.098 -31.301) 31.454 26.503 ( 0.000 2.684 -0.344) 2.706 26.516 ( 0.000 2.555 -1.588) 3.008 26.801 ( 0.000 -0.925 0.646) 1.128 26.933 ( 0.000 -4.823 -1.329) 5.003 34.659 ( 0.000 5.087 9.733) 10.983 35.098 ( 0.000 -9.288 24.148) 25.873 36.182 ( 0.000 17.333 5.740) 18.259 37.635 ( 0.000 2.810 3.072) 4.163 37.687 ( 0.000 -12.527 -5.977) 13.880 37.891 ( 0.000 -16.449 0.033) 16.449 38.179 ( 0.000 2.099 0.039) 2.100 38.646 ( 0.000 -10.201 -5.109) 11.409 ======================= Grid point 133 (50/120) ======================= q-point: ( 0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 16.012 32.130 25.432) 43.995 3.361 ( 23.406 37.297 15.456) 46.667 4.613 ( 1.686 -8.419 0.400) 8.596 5.049 ( 14.989 10.069 -1.709) 18.138 5.389 ( 4.576 3.697 -1.801) 6.152 5.534 ( 16.557 37.725 5.475) 41.560 6.037 ( -0.552 -12.804 1.196) 12.872 6.118 ( -9.868 -4.207 3.654) 11.333 6.517 ( 9.829 8.061 -0.442) 12.719 7.082 ( 4.498 -4.133 2.162) 6.480 7.160 ( -2.363 -2.300 3.300) 4.665 7.283 ( 1.614 6.712 5.661) 8.928 7.866 ( -8.639 -13.245 8.464) 17.936 8.111 ( 2.484 -23.095 -5.299) 23.825 8.317 ( 2.668 -13.074 -6.238) 14.729 8.484 ( 2.554 -6.934 -6.731) 9.995 8.822 ( -5.434 -0.112 0.006) 5.435 8.934 ( -4.458 14.986 -7.028) 17.142 9.276 ( -0.213 -6.260 -9.278) 11.194 9.405 ( 1.323 7.295 -4.322) 8.582 9.515 ( 3.345 -13.624 -4.230) 14.652 9.685 ( 3.474 -0.211 -4.702) 5.850 9.884 ( -2.549 -4.191 -6.488) 8.134 10.106 ( -4.284 4.736 -2.565) 6.882 10.205 ( -7.227 3.237 4.189) 8.958 10.251 ( 1.849 10.429 10.139) 14.662 10.433 ( -3.824 9.151 3.328) 10.461 10.651 ( 0.146 -2.566 0.886) 2.719 10.996 ( -1.550 -10.800 9.370) 14.382 11.164 ( -2.028 -15.066 1.624) 15.288 11.328 ( -3.802 9.325 -2.633) 10.409 11.813 ( 12.300 -0.894 -6.572) 13.974 12.029 ( -3.409 -3.394 -4.155) 6.357 12.160 ( -0.959 -1.370 -8.795) 8.953 12.394 ( 3.616 -2.712 -6.241) 7.706 12.661 ( -1.830 1.134 -11.131) 11.338 12.883 ( -9.317 1.821 5.076) 10.765 13.113 ( 0.546 -8.549 8.401) 11.998 13.431 ( -4.647 -1.173 14.458) 15.232 13.722 ( 0.520 -8.088 -1.750) 8.292 14.486 ( -9.877 5.087 7.634) 13.480 14.812 ( 0.484 -3.298 1.632) 3.711 16.454 ( 4.925 6.679 4.207) 9.304 16.757 ( 3.387 -2.092 2.076) 4.490 17.086 ( 3.538 4.970 -0.997) 6.182 17.385 ( 2.238 -3.789 -3.766) 5.792 19.321 ( -12.199 9.132 0.663) 15.253 19.472 ( -13.181 4.269 0.260) 13.858 19.865 ( -4.736 0.770 -0.402) 4.815 19.950 ( -6.379 -1.698 -1.841) 6.853 20.581 ( -4.482 22.434 3.701) 23.175 21.805 ( -6.032 -9.381 -2.380) 11.404 22.354 ( -1.744 5.618 -6.740) 8.947 22.460 ( -6.628 6.407 -20.417) 22.402 26.504 ( 0.804 2.753 -0.282) 2.882 26.555 ( 2.795 2.202 -1.242) 3.769 26.810 ( 0.971 -1.064 0.666) 1.587 26.946 ( 1.141 -4.841 -1.504) 5.196 34.703 ( 4.231 4.757 9.485) 11.424 35.094 ( 0.379 -7.075 20.904) 22.072 36.132 ( -4.330 18.339 3.415) 19.150 37.680 ( -1.038 -11.914 -5.061) 12.986 37.727 ( -0.664 -12.154 -2.890) 12.511 38.041 ( 21.895 -8.886 1.931) 23.708 38.201 ( 5.717 7.871 -1.983) 9.928 38.977 ( 27.009 -16.952 -0.658) 31.895 ======================= Grid point 134 (51/120) ======================= q-point: ( 0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 27.772 25.812 18.198) 42.056 3.910 ( 29.146 34.313 10.415) 46.210 4.650 ( 1.513 -6.123 -1.483) 6.479 5.372 ( 10.788 -4.605 -2.134) 11.923 5.559 ( 14.202 4.572 -7.700) 16.790 5.828 ( -4.757 -17.282 3.407) 18.245 5.973 ( 12.100 13.609 9.066) 20.342 6.246 ( 24.617 14.717 6.708) 29.455 6.665 ( 4.270 10.319 6.444) 12.894 7.077 ( -4.106 -13.032 -12.344) 18.414 7.178 ( 4.360 4.455 12.247) 13.742 7.378 ( 5.249 8.023 2.218) 9.841 7.684 ( -8.335 -11.781 9.011) 17.013 8.145 ( -0.253 -17.893 -7.789) 19.517 8.331 ( -0.693 10.294 -7.920) 13.007 8.568 ( 3.078 -16.832 1.660) 17.191 8.662 ( -9.865 8.589 -1.459) 13.161 8.822 ( -5.533 9.842 -1.812) 11.435 9.156 ( -6.036 -1.341 -8.638) 10.623 9.495 ( -1.124 5.751 -8.775) 10.551 9.572 ( 3.824 -22.931 -3.209) 23.468 9.749 ( 3.062 0.600 -3.260) 4.513 9.873 ( 1.389 -3.089 -3.904) 5.168 10.017 ( -7.371 -2.319 -0.243) 7.731 10.042 ( -2.853 12.962 -2.457) 13.498 10.270 ( 0.283 7.864 9.342) 12.214 10.342 ( -4.770 9.193 3.272) 10.861 10.640 ( -1.258 -3.894 1.277) 4.287 10.904 ( -7.502 -14.198 6.733) 17.412 11.156 ( 1.552 -5.690 0.054) 5.899 11.302 ( 0.584 8.737 -1.734) 8.927 11.921 ( -4.079 8.642 -7.081) 11.893 12.056 ( 5.381 -7.463 -4.081) 10.065 12.169 ( 3.252 -4.776 -6.206) 8.479 12.394 ( -2.661 -4.230 -8.507) 9.866 12.636 ( -0.479 1.986 1.040) 2.292 12.711 ( -6.302 2.862 0.762) 6.963 13.103 ( -1.875 -14.597 1.054) 14.754 13.371 ( -1.673 -4.335 13.030) 13.833 13.686 ( -3.606 -9.935 1.137) 10.630 14.218 ( -15.326 6.604 5.303) 17.511 14.757 ( -7.048 -9.385 2.419) 11.983 16.594 ( 8.453 5.039 2.983) 10.283 16.850 ( 5.595 -2.017 0.866) 6.010 17.175 ( 4.967 4.153 0.318) 6.482 17.439 ( 2.795 -3.094 -2.767) 5.004 19.034 ( -15.730 4.429 0.666) 16.355 19.088 ( -21.315 5.375 -0.141) 21.983 19.730 ( -9.088 2.374 -0.187) 9.394 19.790 ( -8.496 0.093 -1.306) 8.597 20.527 ( -0.471 22.721 2.605) 22.874 21.651 ( -9.016 -3.778 -4.736) 10.862 22.203 ( -9.291 9.601 -9.065) 16.145 22.409 ( -1.235 3.336 -3.672) 5.112 26.535 ( 2.151 2.669 0.117) 3.430 26.614 ( 2.850 1.719 -0.962) 3.464 26.839 ( 1.786 -1.564 0.453) 2.417 26.972 ( 1.273 -4.885 -1.594) 5.294 34.820 ( 7.069 4.254 9.235) 12.384 35.144 ( 5.045 -4.317 13.546) 15.086 36.026 ( -6.004 17.773 1.219) 18.799 37.437 ( -15.913 -23.248 -11.689) 30.501 37.911 ( 13.081 5.583 1.203) 14.274 38.348 ( 10.646 6.445 -0.226) 12.447 38.645 ( 31.835 -11.532 0.272) 33.860 39.565 ( 28.469 -25.177 0.308) 38.006 ======================= Grid point 135 (52/120) ======================= q-point: ( 0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.129 ( 28.431 17.733 10.139) 35.008 4.488 ( 24.892 25.936 3.863) 36.156 4.678 ( 4.483 0.355 3.789) 5.881 5.388 ( -5.703 -7.685 6.278) 11.445 5.781 ( 6.842 -13.501 0.691) 15.152 5.908 ( 15.802 10.041 -12.016) 22.247 6.304 ( 17.721 -17.596 4.680) 25.408 6.657 ( 1.978 6.238 6.646) 9.327 6.887 ( 14.779 2.900 3.867) 15.550 7.038 ( 2.687 6.001 1.279) 6.698 7.240 ( 7.607 8.294 1.684) 11.380 7.460 ( 5.154 7.318 2.298) 9.241 7.542 ( -7.132 -4.856 3.722) 9.397 8.034 ( -11.596 -6.028 -1.134) 13.118 8.306 ( -4.282 13.451 -2.348) 14.310 8.411 ( -4.972 13.909 0.446) 14.777 8.564 ( -8.006 5.665 -2.474) 10.115 8.802 ( 2.362 -14.482 -0.708) 14.690 9.104 ( 1.202 -6.275 -7.905) 10.164 9.341 ( -11.235 9.956 -1.494) 15.085 9.662 ( 3.372 -14.094 -8.106) 16.604 9.734 ( -4.351 -6.281 -1.453) 7.778 9.863 ( -4.853 6.216 -1.891) 8.110 9.915 ( 2.420 2.588 -7.208) 8.032 10.139 ( 7.884 6.768 4.680) 11.396 10.256 ( -2.594 5.021 0.530) 5.676 10.317 ( 6.031 2.199 7.825) 10.121 10.604 ( -2.220 -5.393 -0.233) 5.836 10.733 ( -8.053 -12.953 3.389) 15.625 11.185 ( 0.706 0.563 -1.546) 1.790 11.336 ( 2.618 1.401 -0.543) 3.019 11.824 ( -4.721 5.286 -3.203) 7.777 12.018 ( -6.976 -3.223 -7.487) 10.729 12.258 ( 4.190 -9.165 -4.743) 11.137 12.434 ( 5.496 -2.079 -4.125) 7.179 12.592 ( -3.151 5.653 3.596) 7.404 12.644 ( -1.984 -0.724 -0.716) 2.230 13.003 ( -8.997 -13.499 -1.825) 16.325 13.335 ( -2.003 -4.013 10.064) 11.018 13.596 ( -4.979 -10.803 2.585) 12.173 13.944 ( -10.104 2.775 5.419) 11.797 14.518 ( -15.992 -13.240 -0.618) 20.771 16.773 ( 8.766 3.649 2.226) 9.753 16.966 ( 5.425 -1.114 -0.153) 5.540 17.273 ( 4.487 2.692 0.899) 5.309 17.485 ( 1.541 -2.493 -2.015) 3.557 18.680 ( -15.784 5.022 -0.196) 16.565 18.755 ( -13.369 2.782 0.512) 13.665 19.524 ( -10.103 3.090 0.015) 10.565 19.617 ( -8.658 0.050 -0.514) 8.673 20.558 ( 3.346 22.307 2.211) 22.665 21.448 ( -10.966 6.968 -4.998) 13.921 22.062 ( -4.279 3.539 -2.423) 6.058 22.361 ( -3.554 0.934 -1.510) 3.972 26.585 ( 2.646 2.433 0.150) 3.597 26.664 ( 2.002 1.511 -0.755) 2.619 26.877 ( 1.887 -2.386 0.209) 3.049 26.992 ( 0.597 -4.922 -1.409) 5.155 34.975 ( 8.126 4.574 8.850) 12.856 35.299 ( 9.974 -2.960 5.769) 11.896 35.896 ( -6.565 14.594 1.195) 16.047 37.085 ( -18.603 -19.266 -11.105) 28.993 38.207 ( 15.437 8.645 0.564) 17.702 38.564 ( 10.078 10.530 0.430) 14.582 39.282 ( 30.187 -15.848 0.878) 34.105 40.054 ( 19.205 -27.496 -0.505) 33.543 ======================= Grid point 136 (53/120) ======================= q-point: ( 0.36 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.520 ( 5.715 -1.042 1.190) 5.930 4.634 ( 2.596 -3.876 7.315) 8.675 5.150 ( 30.328 27.074 5.258) 40.993 5.404 ( 12.643 1.929 10.365) 16.462 5.968 ( 10.622 -5.328 -2.305) 12.105 6.250 ( 16.809 8.870 -7.376) 20.387 6.518 ( -1.195 -7.846 1.266) 8.037 6.675 ( 1.813 -6.803 -1.165) 7.136 6.870 ( -6.938 -4.507 -0.332) 8.280 7.004 ( -2.012 12.557 3.677) 13.238 7.271 ( -17.731 -2.231 0.492) 17.878 7.431 ( 2.108 -3.880 3.719) 5.773 7.582 ( -6.890 2.245 -0.484) 7.262 8.039 ( 20.663 17.637 7.924) 28.299 8.189 ( -4.491 8.415 -3.698) 10.231 8.360 ( -8.441 6.683 0.693) 10.789 8.450 ( 2.610 17.031 0.295) 17.233 8.717 ( -11.771 -2.835 -2.851) 12.439 9.176 ( -0.984 4.760 -5.777) 7.550 9.196 ( 4.940 -9.338 -0.466) 10.574 9.617 ( -2.832 -5.755 -1.688) 6.633 9.748 ( 2.642 -5.789 -8.291) 10.452 9.801 ( -2.037 4.978 0.788) 5.436 9.925 ( -1.514 6.989 -5.554) 9.055 10.161 ( -2.325 6.539 5.048) 8.582 10.328 ( 4.425 -5.141 2.512) 7.234 10.445 ( -0.550 -4.054 8.358) 9.305 10.615 ( 4.522 -6.125 3.879) 8.544 10.698 ( 10.792 -9.443 -5.342) 15.302 11.195 ( 0.821 -1.204 -1.686) 2.229 11.401 ( 3.770 -2.621 -0.858) 4.671 11.743 ( -3.588 2.265 -2.223) 4.790 11.874 ( -5.639 -4.838 -4.553) 8.714 12.292 ( -3.581 -12.520 -3.416) 13.463 12.469 ( -3.918 -0.582 -4.793) 6.217 12.549 ( -0.985 1.692 -2.824) 3.436 12.596 ( -1.450 1.650 3.043) 3.753 12.785 ( -9.803 -5.028 2.358) 11.267 13.308 ( -0.461 -4.168 5.355) 6.801 13.493 ( -5.155 -9.656 2.629) 11.258 13.823 ( -2.615 -1.550 4.996) 5.848 14.174 ( -16.090 -11.668 -2.863) 20.081 16.932 ( 6.733 3.018 1.216) 7.478 17.054 ( 3.058 0.596 -0.603) 3.173 17.353 ( 3.513 0.802 0.258) 3.613 17.496 ( -0.472 -2.058 -1.797) 2.773 18.449 ( -7.406 4.071 -0.036) 8.451 18.525 ( -9.192 1.722 0.821) 9.388 19.357 ( -5.968 2.579 0.451) 6.517 19.452 ( -7.410 -0.316 -0.065) 7.417 20.655 ( 6.243 21.874 1.704) 22.811 21.220 ( -11.346 15.199 -3.096) 19.218 22.028 ( 0.613 -2.155 -0.112) 2.244 22.272 ( -5.076 -1.518 -0.471) 5.319 26.637 ( 2.389 2.145 -0.075) 3.212 26.693 ( 0.857 1.592 -0.673) 1.929 26.913 ( 1.746 -3.319 0.033) 3.750 26.993 ( -0.416 -4.844 -1.042) 4.972 35.144 ( 8.532 6.097 7.180) 12.709 35.501 ( 7.121 2.453 -0.008) 7.532 35.797 ( -0.555 4.883 2.406) 5.472 36.701 ( -19.200 -15.482 -8.913) 26.225 38.501 ( 12.982 11.192 0.380) 17.145 38.730 ( 5.881 12.459 0.587) 13.790 39.828 ( 23.314 -17.822 1.051) 29.364 40.328 ( 7.929 -25.581 -0.630) 26.790 ======================= Grid point 137 (54/120) ======================= q-point: ( 0.45 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.553 ( 1.484 -9.135 6.126) 11.098 4.610 ( -3.688 -9.929 7.274) 12.848 5.749 ( 27.632 23.767 2.294) 36.519 5.837 ( 23.922 9.197 4.776) 26.071 6.159 ( 3.998 1.421 -4.860) 6.451 6.288 ( -16.688 17.546 2.715) 24.366 6.423 ( -3.245 0.901 5.571) 6.510 6.644 ( -16.315 -4.536 1.412) 16.993 6.769 ( 10.978 1.075 -10.043) 14.917 6.955 ( -4.731 -1.719 0.909) 5.115 7.036 ( 1.744 -1.901 0.446) 2.619 7.229 ( -15.492 -3.668 -5.209) 16.751 7.711 ( 15.756 1.065 7.129) 17.327 8.038 ( -12.065 1.112 -3.218) 12.536 8.222 ( -3.664 7.648 3.634) 9.226 8.241 ( -4.942 10.530 6.781) 13.465 8.520 ( 7.117 12.736 -0.374) 14.595 8.598 ( -0.079 12.842 -0.647) 12.858 9.200 ( 2.846 3.599 -10.439) 11.403 9.255 ( -1.113 -4.318 -8.789) 9.856 9.631 ( 3.465 -7.999 5.714) 10.423 9.713 ( -4.304 -4.263 3.040) 6.778 9.853 ( 4.799 3.267 -4.984) 7.651 9.899 ( -0.725 6.743 -6.649) 9.498 10.151 ( 2.791 -0.066 2.370) 3.662 10.271 ( -6.980 -5.243 -0.487) 8.744 10.510 ( 6.416 -3.811 8.946) 11.650 10.622 ( -3.119 -5.450 9.042) 11.008 11.030 ( 14.571 -8.336 -1.703) 16.873 11.200 ( -2.386 -6.957 -0.757) 7.394 11.503 ( 6.736 -1.808 -2.609) 7.446 11.643 ( -6.385 -2.535 -2.668) 7.369 11.864 ( 5.449 -3.677 -2.280) 6.958 12.074 ( -13.828 -7.172 -2.300) 15.746 12.420 ( 0.565 -6.152 -5.383) 8.194 12.495 ( -5.011 -4.099 -3.789) 7.501 12.596 ( 0.817 1.334 2.759) 3.172 12.638 ( -4.345 -0.567 3.239) 5.449 13.322 ( 2.075 -5.790 1.514) 6.335 13.392 ( -4.605 -7.804 1.275) 9.151 13.823 ( 2.507 -1.592 3.190) 4.359 13.927 ( -8.231 -5.180 -0.690) 9.749 17.039 ( 3.802 2.763 0.166) 4.703 17.082 ( -0.405 2.123 -0.454) 2.209 17.417 ( 2.909 -0.803 -0.946) 3.163 17.469 ( -2.082 -1.628 -1.655) 3.119 18.364 ( -1.286 2.590 0.597) 2.953 18.392 ( -4.009 1.793 0.918) 4.487 19.292 ( -0.482 1.228 0.590) 1.445 19.332 ( -4.196 0.051 0.332) 4.210 20.806 ( 8.614 21.064 0.688) 22.768 20.999 ( -10.398 19.249 -0.948) 21.899 22.074 ( 3.705 -4.033 0.334) 5.486 22.166 ( -5.150 -3.428 0.128) 6.188 26.678 ( 1.554 1.914 -0.352) 2.491 26.697 ( -0.388 1.750 -0.563) 1.879 26.947 ( 1.597 -4.087 -0.225) 4.394 26.976 ( -1.217 -4.582 -0.609) 4.779 35.317 ( 8.508 8.414 4.686) 12.851 35.476 ( -6.733 10.538 1.830) 12.639 35.976 ( 15.221 -8.542 -1.757) 17.543 36.321 ( -18.320 -12.098 -5.805) 22.708 38.709 ( 7.300 12.695 0.406) 14.650 38.787 ( -0.432 13.113 0.511) 13.130 40.205 ( 13.751 -19.857 0.625) 24.162 40.376 ( -3.112 -22.539 -0.088) 22.753 ======================= Grid point 143 (55/120) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 0.000 31.919 22.786) 39.218 3.877 ( 0.000 33.330 9.352) 34.617 4.254 ( 0.000 -20.809 17.761) 27.358 4.598 ( 0.000 -27.838 6.887) 28.677 5.385 ( 0.000 7.814 2.439) 8.186 5.680 ( 0.000 -18.843 0.020) 18.843 6.385 ( 0.000 12.773 -21.272) 24.812 6.621 ( 0.000 59.462 4.553) 59.636 6.707 ( 0.000 -9.146 -17.943) 20.139 6.818 ( 0.000 20.051 -4.055) 20.457 7.385 ( 0.000 -0.383 6.636) 6.647 7.415 ( 0.000 10.309 9.300) 13.884 7.575 ( 0.000 -13.199 7.584) 15.223 7.710 ( 0.000 -15.116 10.324) 18.305 7.788 ( 0.000 -19.180 10.240) 21.743 7.960 ( 0.000 -44.803 8.557) 45.612 8.831 ( 0.000 11.948 -21.964) 25.004 9.119 ( 0.000 -12.628 -17.795) 21.820 9.261 ( 0.000 12.282 -12.783) 17.727 9.448 ( 0.000 -0.867 -10.066) 10.103 9.523 ( 0.000 1.110 1.970) 2.262 9.588 ( 0.000 -0.591 2.203) 2.281 9.916 ( 0.000 5.383 -3.430) 6.383 10.073 ( 0.000 -8.723 1.938) 8.936 10.435 ( 0.000 7.962 2.552) 8.361 10.471 ( 0.000 6.964 -3.408) 7.754 10.635 ( 0.000 3.769 2.503) 4.525 10.689 ( 0.000 9.227 11.146) 14.470 10.857 ( 0.000 -5.695 14.645) 15.713 10.867 ( 0.000 -13.750 1.972) 13.890 11.461 ( 0.000 1.231 0.487) 1.324 11.543 ( 0.000 -6.718 -0.284) 6.724 12.014 ( 0.000 1.746 -10.220) 10.368 12.097 ( 0.000 -4.833 -11.917) 12.860 12.484 ( 0.000 8.879 -10.347) 13.634 12.640 ( 0.000 -5.363 -10.702) 11.970 12.991 ( 0.000 0.775 5.309) 5.365 13.027 ( 0.000 -2.466 9.457) 9.773 13.510 ( 0.000 1.317 9.830) 9.918 13.574 ( 0.000 -4.770 -0.026) 4.770 14.681 ( 0.000 4.787 7.257) 8.694 14.765 ( 0.000 -3.010 1.845) 3.531 16.548 ( 0.000 6.283 4.610) 7.793 16.657 ( 0.000 -4.264 3.872) 5.760 17.158 ( 0.000 5.407 -2.828) 6.102 17.266 ( 0.000 -4.958 -3.600) 6.127 19.624 ( 0.000 3.091 -0.003) 3.091 19.634 ( 0.000 1.526 -0.298) 1.555 19.923 ( 0.000 0.752 -0.097) 0.758 19.957 ( 0.000 -2.541 -0.738) 2.646 21.139 ( 0.000 24.249 4.619) 24.685 21.581 ( 0.000 -17.986 2.639) 18.178 22.453 ( 0.000 5.014 -9.735) 10.950 22.543 ( 0.000 -3.231 -18.099) 18.385 26.550 ( 0.000 1.566 -0.878) 1.796 26.557 ( 0.000 1.027 -1.456) 1.782 26.796 ( 0.000 0.822 0.161) 0.838 26.843 ( 0.000 -3.601 -0.647) 3.658 34.776 ( 0.000 6.279 13.746) 15.112 34.920 ( 0.000 -7.757 19.165) 20.676 36.639 ( 0.000 25.477 -4.911) 25.946 37.197 ( 0.000 -27.875 -8.978) 29.285 37.693 ( 0.000 2.716 3.498) 4.428 37.749 ( 0.000 -3.014 4.462) 5.384 38.278 ( 0.000 6.602 -2.650) 7.114 38.443 ( 0.000 -9.204 -3.991) 10.032 ======================= Grid point 144 (56/120) ======================= q-point: ( 0.09 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 11.583 30.266 19.028) 37.580 4.093 ( 19.295 29.026 9.572) 36.144 4.321 ( 6.660 -16.369 14.607) 22.927 4.769 ( 15.762 -26.109 6.052) 31.093 5.362 ( -1.746 4.458 5.342) 7.174 5.609 ( -6.623 -17.647 2.055) 18.960 6.284 ( -6.133 15.869 -18.881) 25.415 6.566 ( -2.398 9.446 -9.393) 13.536 6.841 ( 9.404 21.531 -5.022) 24.026 6.964 ( 10.317 28.051 -5.116) 30.323 7.344 ( -1.776 8.788 13.346) 16.078 7.481 ( 3.974 -4.779 2.712) 6.781 7.563 ( -1.156 0.078 7.297) 7.389 7.687 ( 2.281 -14.858 10.558) 18.370 7.897 ( 6.497 -19.895 8.264) 22.501 8.035 ( 8.119 -42.617 5.293) 43.705 8.856 ( 1.641 11.865 -18.115) 21.717 9.122 ( -1.906 -9.169 -14.678) 17.411 9.243 ( -1.657 10.632 -11.509) 15.756 9.422 ( -3.651 0.764 -4.666) 5.973 9.478 ( -1.515 1.115 -1.077) 2.167 9.611 ( 1.148 -5.638 0.394) 5.767 9.912 ( -0.411 4.845 -5.875) 7.626 10.029 ( -3.550 -6.265 -1.902) 7.448 10.403 ( -5.138 7.443 -3.587) 9.730 10.424 ( -2.130 4.720 3.063) 6.016 10.629 ( -0.723 5.869 3.522) 6.883 10.655 ( -3.470 6.167 9.662) 11.976 10.805 ( -3.816 -6.716 10.674) 13.176 10.904 ( 3.047 -9.957 7.506) 12.836 11.480 ( 2.339 5.890 -0.684) 6.374 11.645 ( 8.220 -10.390 0.424) 13.255 12.013 ( 0.019 1.244 -9.616) 9.696 12.086 ( -0.982 -4.824 -11.047) 12.094 12.470 ( -1.542 8.031 -11.480) 14.095 12.621 ( -1.996 -5.202 -11.561) 12.834 12.918 ( -6.186 2.208 6.957) 9.568 12.984 ( -4.044 -4.367 8.178) 10.115 13.454 ( -4.223 3.346 7.689) 9.388 13.562 ( -1.893 -6.874 2.026) 7.413 14.609 ( -7.359 6.304 6.080) 11.439 14.728 ( -4.119 -5.013 3.747) 7.492 16.586 ( 3.830 5.892 3.635) 7.912 16.691 ( 3.368 -4.206 3.010) 6.172 17.193 ( 3.154 5.250 -2.156) 6.493 17.297 ( 2.782 -4.717 -2.993) 6.241 19.441 ( -14.593 3.965 -0.031) 15.122 19.499 ( -14.422 -1.334 -0.221) 14.486 19.890 ( -3.412 1.487 -0.130) 3.725 19.920 ( -4.262 -1.367 -0.672) 4.526 21.084 ( -4.304 24.189 3.481) 24.815 21.523 ( -4.901 -17.769 1.654) 18.506 22.455 ( -0.734 4.144 -8.441) 9.432 22.511 ( -3.112 -0.828 -14.293) 14.651 26.558 ( 1.092 2.208 -0.632) 2.543 26.582 ( 1.988 0.144 -1.098) 2.276 26.805 ( 0.917 0.968 -0.035) 1.334 26.855 ( 1.093 -3.674 -0.909) 3.939 34.813 ( 3.668 5.928 12.949) 14.706 34.946 ( 2.739 -6.914 17.346) 18.873 36.587 ( -4.963 24.831 -5.212) 25.853 37.131 ( -6.693 -27.473 -8.939) 29.656 37.785 ( 9.186 4.396 2.282) 10.437 37.890 ( 13.679 -5.991 2.349) 15.117 38.397 ( 12.071 11.097 -1.880) 16.504 38.657 ( 18.719 -14.082 -1.534) 23.474 ======================= Grid point 145 (57/120) ======================= q-point: ( 0.18 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.067 ( 20.025 24.130 13.016) 33.951 4.471 ( 9.327 -13.471 6.360) 17.576 4.590 ( 25.427 31.282 8.268) 41.152 5.143 ( 16.440 -18.218 1.901) 24.612 5.374 ( 6.750 -9.964 13.677) 18.218 5.448 ( -7.324 -14.005 7.591) 17.533 6.222 ( 0.515 16.621 -19.787) 25.847 6.559 ( 1.868 -11.722 -14.801) 18.973 6.951 ( -0.105 16.732 3.101) 17.017 7.159 ( 5.953 14.671 2.352) 16.007 7.362 ( 4.378 14.193 9.974) 17.891 7.522 ( 5.675 5.059 1.637) 7.777 7.629 ( 4.043 12.947 2.155) 13.734 7.797 ( 8.252 -10.263 4.239) 13.834 8.024 ( 6.512 -23.812 7.613) 25.834 8.272 ( 14.095 -28.568 3.099) 32.006 8.822 ( -6.827 10.130 -6.909) 14.035 9.001 ( -9.596 -3.789 -6.599) 12.247 9.188 ( -3.535 10.531 -7.682) 13.506 9.315 ( -3.971 2.747 -4.799) 6.807 9.502 ( 0.839 -5.248 -4.464) 6.941 9.603 ( -2.191 -10.204 0.000) 10.437 9.899 ( -0.515 3.454 -8.787) 9.455 9.971 ( -1.252 -2.946 -8.542) 9.122 10.299 ( -3.939 8.619 -6.511) 11.497 10.376 ( -1.817 1.536 3.865) 4.539 10.561 ( -5.268 3.257 7.472) 9.705 10.592 ( -3.306 2.341 3.234) 5.184 10.718 ( -4.669 2.707 13.678) 14.704 10.971 ( 2.485 -11.561 6.840) 13.660 11.534 ( 2.076 11.738 -2.402) 12.160 11.793 ( 3.868 -12.806 0.480) 13.386 12.032 ( 2.427 -0.456 -7.655) 8.043 12.069 ( -0.540 -4.175 -9.099) 10.026 12.417 ( -2.899 6.965 -12.897) 14.942 12.573 ( -2.022 -6.570 -11.462) 13.365 12.789 ( -5.728 4.057 8.145) 10.752 12.889 ( -4.777 -6.444 6.690) 10.445 13.372 ( -3.593 3.650 6.963) 8.644 13.498 ( -4.096 -8.040 2.540) 9.374 14.384 ( -14.453 9.015 5.477) 17.892 14.573 ( -11.668 -8.997 4.457) 15.394 16.698 ( 6.992 4.891 2.047) 8.775 16.789 ( 6.095 -3.817 1.392) 7.325 17.270 ( 4.071 4.755 -0.918) 6.327 17.363 ( 3.445 -4.182 -1.860) 5.729 19.100 ( -18.000 2.397 0.065) 18.159 19.131 ( -19.697 -0.332 -0.368) 19.703 19.771 ( -8.420 1.439 -0.091) 8.543 19.789 ( -8.107 -0.349 -0.421) 8.126 21.013 ( -2.027 22.828 2.095) 23.013 21.424 ( -4.275 -16.322 0.413) 16.878 22.375 ( -7.000 5.977 -7.792) 12.060 22.442 ( -3.830 -0.573 -5.942) 7.093 26.592 ( 2.117 2.567 -0.109) 3.329 26.628 ( 2.429 -0.605 -0.568) 2.567 26.829 ( 1.314 0.971 -0.442) 1.692 26.880 ( 1.241 -3.722 -1.220) 4.109 34.921 ( 6.855 5.405 11.011) 14.052 35.037 ( 6.390 -5.684 12.940) 15.511 36.449 ( -8.501 22.619 -5.204) 24.718 36.939 ( -11.874 -24.475 -8.954) 28.639 38.052 ( 16.646 8.201 0.815) 18.574 38.249 ( 20.061 -10.546 0.511) 22.670 38.736 ( 20.460 14.648 -0.280) 25.165 39.100 ( 23.261 -20.138 0.270) 30.768 ======================= Grid point 146 (58/120) ======================= q-point: ( 0.27 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( 13.401 11.093 5.441) 18.228 4.567 ( 0.399 -2.405 3.488) 4.256 5.115 ( 23.170 22.402 3.802) 32.452 5.296 ( 7.815 3.080 12.081) 14.714 5.446 ( 11.083 -12.841 10.234) 19.810 5.744 ( 22.355 -24.383 8.388) 34.127 6.293 ( 5.731 14.753 -18.314) 24.205 6.612 ( 1.796 -14.775 -15.177) 21.257 6.911 ( -2.171 11.725 7.900) 14.304 7.156 ( -2.153 -9.878 8.947) 13.500 7.446 ( 0.829 17.911 -0.854) 17.950 7.630 ( -2.239 10.974 1.661) 11.322 7.701 ( 2.134 1.190 -4.856) 5.436 8.028 ( 12.370 5.839 2.545) 13.913 8.182 ( 12.778 -8.974 7.832) 17.468 8.545 ( 10.679 -8.779 2.522) 14.053 8.620 ( -9.781 8.371 0.201) 12.876 8.782 ( -10.649 -4.157 -1.235) 11.498 9.100 ( -4.054 9.811 -7.239) 12.849 9.300 ( 1.186 -9.770 -4.082) 10.655 9.459 ( -4.242 -1.232 -1.567) 4.686 9.526 ( -4.594 -9.942 1.693) 11.082 9.916 ( 2.095 2.746 -10.932) 11.465 9.986 ( 1.708 -1.592 -10.295) 10.557 10.269 ( 0.635 7.146 -6.899) 9.953 10.371 ( 1.147 3.158 3.900) 5.147 10.459 ( -4.932 -3.053 2.156) 6.188 10.509 ( -3.330 -3.635 3.657) 6.138 10.614 ( -5.005 14.221 14.142) 20.671 10.979 ( -1.411 -15.560 5.422) 16.538 11.543 ( -0.841 12.422 -4.189) 13.136 11.782 ( -3.060 -9.431 -2.232) 10.163 12.006 ( -6.382 2.344 -8.110) 10.582 12.088 ( 0.897 -6.193 -4.704) 7.828 12.431 ( 3.967 2.877 -7.584) 9.029 12.547 ( -0.900 -7.057 -9.397) 11.786 12.704 ( -2.775 4.615 6.525) 8.460 12.802 ( -4.002 -5.756 5.124) 8.684 13.312 ( -2.526 2.055 5.943) 6.777 13.411 ( -4.312 -7.158 2.396) 8.693 14.071 ( -14.903 8.654 5.184) 17.996 14.275 ( -16.603 -10.800 3.042) 20.039 16.851 ( 7.734 3.784 0.885) 8.655 16.922 ( 6.685 -2.955 0.033) 7.309 17.343 ( 3.017 3.869 -0.123) 4.908 17.422 ( 2.127 -3.553 -1.097) 4.284 18.753 ( -15.238 2.325 -0.138) 15.415 18.779 ( -14.700 -0.195 -0.044) 14.701 19.579 ( -9.776 2.118 0.039) 10.003 19.610 ( -9.219 -0.901 -0.068) 9.263 21.009 ( 1.571 20.368 1.416) 20.478 21.360 ( -2.192 -12.579 -0.231) 12.771 22.214 ( -8.241 8.337 -3.815) 12.328 22.339 ( -6.253 -3.443 -2.694) 7.630 26.638 ( 2.394 2.518 0.086) 3.476 26.675 ( 2.181 -0.681 -0.289) 2.303 26.853 ( 0.995 0.535 -0.606) 1.282 26.900 ( 0.643 -3.673 -1.206) 3.919 35.083 ( 9.147 5.755 8.508) 13.754 35.204 ( 10.038 -5.633 7.864) 13.940 36.254 ( -10.598 19.278 -4.209) 22.399 36.669 ( -14.507 -20.594 -7.947) 26.415 38.416 ( 18.289 11.353 0.308) 21.528 38.634 ( 17.030 -6.894 0.390) 18.376 39.179 ( 22.382 9.367 0.208) 24.264 39.537 ( 19.064 -22.292 0.411) 29.335 ======================= Grid point 147 (59/120) ======================= q-point: ( 0.36 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( -4.173 -0.031 5.119) 6.605 4.541 ( -4.295 -4.807 6.740) 9.327 5.515 ( 23.280 12.036 7.003) 27.126 5.725 ( 25.904 23.357 6.672) 35.512 5.775 ( 19.364 -12.059 4.774) 23.306 6.170 ( 19.199 -19.519 3.836) 27.646 6.419 ( 5.904 7.194 -8.700) 12.740 6.589 ( -3.642 -8.333 -6.997) 11.474 6.878 ( -1.892 9.346 2.453) 9.846 7.104 ( -4.925 -10.536 2.304) 11.856 7.340 ( -11.946 10.119 -1.695) 15.747 7.471 ( -13.565 -0.754 -3.026) 13.918 7.667 ( 0.237 16.189 5.279) 17.029 8.093 ( -3.016 -15.599 -6.330) 17.102 8.443 ( -5.205 8.883 1.273) 10.374 8.541 ( 1.583 10.944 0.714) 11.080 8.620 ( 6.654 0.965 4.990) 8.373 8.728 ( 5.453 4.650 0.689) 7.200 9.091 ( 4.551 5.364 -6.216) 9.388 9.289 ( -2.052 0.541 1.810) 2.789 9.423 ( -0.460 -10.939 1.378) 11.036 9.499 ( 5.341 -12.163 -3.277) 13.682 9.911 ( -4.851 5.488 -10.956) 13.179 9.991 ( -1.606 -1.585 -8.960) 9.240 10.259 ( -2.327 3.145 0.991) 4.036 10.350 ( -3.925 -2.267 4.555) 6.426 10.393 ( -0.678 4.141 9.143) 10.060 10.494 ( 0.482 -5.568 5.711) 7.991 10.658 ( 11.510 8.818 0.823) 14.522 10.959 ( 0.876 -16.307 2.640) 16.543 11.533 ( 0.650 9.958 -4.600) 10.989 11.726 ( -1.643 -8.150 -3.817) 9.149 11.849 ( -8.043 6.536 -5.162) 11.578 12.033 ( -5.937 -11.221 -3.697) 13.222 12.465 ( -3.081 0.795 -4.986) 5.915 12.513 ( -3.364 -3.428 -5.966) 7.659 12.659 ( -1.948 3.336 4.322) 5.796 12.716 ( -4.449 -2.395 4.300) 6.635 13.264 ( -2.053 0.391 3.026) 3.677 13.329 ( -3.662 -5.780 1.497) 7.004 13.854 ( -5.719 4.169 4.772) 8.535 13.979 ( -10.906 -7.681 1.958) 13.482 16.994 ( 6.143 2.884 -0.151) 6.788 17.043 ( 4.918 -1.637 -0.960) 5.271 17.389 ( 1.523 2.471 -0.034) 2.903 17.445 ( 0.179 -2.770 -0.879) 2.912 18.513 ( -8.528 2.181 0.120) 8.803 18.539 ( -9.097 -0.329 0.396) 9.112 19.406 ( -6.852 2.035 0.244) 7.152 19.438 ( -7.322 -1.094 0.122) 7.404 21.070 ( 4.191 17.325 0.909) 17.848 21.322 ( -1.963 -5.437 -0.554) 5.807 22.071 ( -5.305 6.083 -0.882) 8.119 22.203 ( -6.888 -5.305 -0.823) 8.733 26.684 ( 2.066 2.220 -0.034) 3.033 26.713 ( 1.421 -0.103 -0.325) 1.461 26.869 ( 0.631 -0.395 -0.503) 0.898 26.905 ( -0.164 -3.438 -0.939) 3.567 35.284 ( 10.600 7.298 5.524) 14.005 35.432 ( 12.218 -6.557 3.363) 14.269 36.031 ( -11.102 15.137 -2.299) 18.912 36.366 ( -15.368 -16.672 -5.852) 23.417 38.751 ( 14.254 12.260 0.300) 18.804 38.909 ( 9.842 0.898 0.539) 9.898 39.596 ( 17.990 -0.257 0.254) 17.994 39.842 ( 10.811 -20.276 0.208) 22.979 ======================= Grid point 148 (60/120) ======================= q-point: ( 0.45 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.417 ( -1.506 -3.108 8.726) 9.385 4.442 ( -3.829 -5.332 9.013) 11.150 6.004 ( 21.687 8.211 0.948) 23.209 6.122 ( 12.429 -1.780 -3.516) 13.039 6.223 ( 20.862 15.945 2.776) 26.404 6.442 ( -2.254 0.074 2.918) 3.687 6.457 ( 3.438 -1.863 3.120) 5.003 6.528 ( -4.536 -5.703 4.959) 8.814 6.838 ( 1.874 6.392 -5.145) 8.417 6.937 ( -7.388 -2.023 -1.355) 7.779 7.077 ( -10.303 3.582 2.044) 11.098 7.143 ( -16.213 -3.565 -1.154) 16.641 7.771 ( 8.558 6.509 -1.018) 10.800 7.961 ( -9.180 -8.796 -5.562) 13.878 8.379 ( -0.568 6.999 0.764) 7.063 8.424 ( -5.001 4.364 1.454) 6.794 8.755 ( 3.523 8.135 0.043) 8.865 8.799 ( -0.154 4.529 -0.289) 4.541 9.229 ( 5.014 2.060 -3.355) 6.375 9.278 ( -0.441 1.290 -2.122) 2.522 9.485 ( 8.300 -0.808 2.518) 8.712 9.632 ( 0.710 -5.422 -6.971) 8.860 9.782 ( -1.211 -2.470 -4.083) 4.923 9.904 ( -6.906 -7.709 -8.943) 13.678 10.229 ( 0.424 5.348 4.201) 6.814 10.274 ( -3.621 3.954 5.947) 8.007 10.418 ( 3.351 -3.137 9.230) 10.309 10.486 ( -2.302 -6.763 9.483) 11.873 10.922 ( 10.787 -0.822 -0.228) 10.821 11.009 ( 1.623 -8.598 0.465) 8.762 11.589 ( 4.803 7.529 -4.287) 9.907 11.699 ( -5.530 6.209 -5.566) 10.006 11.751 ( 3.623 -6.391 -1.837) 7.573 11.886 ( -7.848 -9.971 -3.083) 13.058 12.340 ( -5.194 -1.041 -4.564) 6.993 12.379 ( -7.927 -4.638 -4.006) 10.020 12.638 ( -0.063 1.757 2.651) 3.181 12.653 ( -1.633 0.389 2.722) 3.198 13.243 ( 0.116 -1.506 0.500) 1.591 13.268 ( -2.275 -3.864 0.218) 4.489 13.816 ( 0.666 0.801 3.950) 4.085 13.851 ( -2.954 -2.535 2.761) 4.772 17.089 ( 3.016 1.883 -1.022) 3.700 17.108 ( 1.241 0.195 -1.375) 1.863 17.412 ( 1.046 0.425 -0.425) 1.206 17.434 ( -1.029 -1.562 -0.794) 2.032 18.404 ( -2.421 1.220 0.611) 2.779 18.413 ( -3.349 0.308 0.723) 3.440 19.316 ( -1.904 0.961 0.313) 2.156 19.330 ( -3.198 -0.361 0.248) 3.228 21.168 ( 5.208 12.682 0.256) 13.712 21.264 ( -3.987 4.613 -0.402) 6.110 22.019 ( 0.371 -0.126 0.461) 0.605 22.078 ( -5.028 -4.647 0.287) 6.853 26.718 ( 1.189 1.728 -0.265) 2.114 26.729 ( 0.145 0.894 -0.394) 0.987 26.882 ( 0.655 -1.722 -0.429) 1.892 26.896 ( -0.660 -2.839 -0.610) 2.978 35.503 ( 10.781 9.287 2.348) 14.422 35.642 ( 3.408 0.363 -0.287) 3.439 35.858 ( -0.893 2.353 0.061) 2.518 36.060 ( -14.503 -12.658 -2.975) 19.479 38.968 ( 6.944 10.732 0.402) 12.789 39.024 ( 1.498 6.992 0.505) 7.169 39.876 ( 9.338 -8.707 0.230) 12.770 39.962 ( 0.888 -15.407 0.169) 15.433 ======================= Grid point 198 (61/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 0.000 43.535) 43.535 2.099 ( 0.000 0.000 51.643) 51.643 3.412 ( 0.000 0.000 -40.563) 40.563 3.501 ( 0.000 0.000 81.005) 81.005 4.009 ( 0.000 0.000 -43.652) 43.652 5.771 ( 0.000 0.000 -23.088) 23.088 6.211 ( 0.000 0.000 23.829) 23.829 6.938 ( 0.000 0.000 11.282) 11.282 7.212 ( 0.000 0.000 19.451) 19.451 7.291 ( 0.000 0.000 -15.723) 15.723 7.424 ( 0.000 0.000 -0.131) 0.131 7.629 ( 0.000 0.000 -17.716) 17.716 8.104 ( 0.000 0.000 5.264) 5.264 8.335 ( 0.000 0.000 3.641) 3.641 8.553 ( 0.000 0.000 -3.999) 3.999 8.581 ( 0.000 0.000 -2.146) 2.146 8.860 ( 0.000 0.000 2.522) 2.522 8.948 ( 0.000 0.000 2.161) 2.161 9.074 ( 0.000 0.000 -2.484) 2.484 9.297 ( 0.000 0.000 -19.943) 19.943 9.381 ( 0.000 0.000 3.228) 3.228 9.581 ( 0.000 0.000 -5.374) 5.374 9.841 ( 0.000 0.000 0.991) 0.991 9.887 ( 0.000 0.000 -4.426) 4.426 9.890 ( 0.000 0.000 -3.186) 3.186 9.927 ( 0.000 0.000 -10.937) 10.937 10.442 ( 0.000 0.000 0.533) 0.533 10.480 ( 0.000 0.000 -1.750) 1.750 11.536 ( 0.000 0.000 2.313) 2.313 11.557 ( 0.000 0.000 9.906) 9.906 11.736 ( 0.000 0.000 -7.264) 7.264 12.013 ( 0.000 0.000 -9.331) 9.331 12.283 ( 0.000 0.000 1.560) 1.560 12.387 ( 0.000 0.000 -4.235) 4.235 12.602 ( 0.000 0.000 10.067) 10.067 12.731 ( 0.000 0.000 1.408) 1.408 12.827 ( 0.000 0.000 11.788) 11.788 13.248 ( 0.000 0.000 -8.127) 8.127 13.766 ( 0.000 0.000 11.358) 11.358 14.165 ( 0.000 0.000 30.191) 30.191 14.406 ( 0.000 0.000 -16.698) 16.698 15.150 ( 0.000 0.000 -17.304) 17.304 16.206 ( 0.000 0.000 8.706) 8.706 16.581 ( 0.000 0.000 -8.398) 8.398 17.026 ( 0.000 0.000 9.309) 9.309 17.426 ( 0.000 0.000 -9.103) 9.103 18.287 ( 0.000 0.000 0.536) 0.536 18.306 ( 0.000 0.000 -0.304) 0.304 20.058 ( 0.000 0.000 4.613) 4.613 20.062 ( 0.000 0.000 2.002) 2.002 20.142 ( 0.000 0.000 -1.666) 1.666 20.254 ( 0.000 0.000 -4.405) 4.405 22.174 ( 0.000 0.000 -0.020) 0.020 22.176 ( 0.000 0.000 -0.110) 0.110 26.396 ( 0.000 0.000 0.263) 0.263 26.399 ( 0.000 0.000 0.123) 0.123 26.919 ( 0.000 0.000 3.828) 3.828 27.079 ( 0.000 0.000 -3.541) 3.541 34.612 ( 0.000 0.000 7.763) 7.763 34.942 ( 0.000 0.000 -7.391) 7.391 37.613 ( 0.000 0.000 5.552) 5.552 37.863 ( 0.000 0.000 -6.010) 6.010 38.060 ( 0.000 0.000 9.082) 9.082 38.453 ( 0.000 0.000 -8.950) 8.950 39.050 ( 0.000 0.000 2.756) 2.756 39.159 ( 0.000 0.000 -2.322) 2.322 ======================= Grid point 199 (62/120) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 23.165 0.000 37.398) 43.991 2.508 ( 32.433 0.000 42.524) 53.481 3.545 ( 13.160 0.000 -38.799) 40.970 3.888 ( 38.189 0.000 68.675) 78.579 4.208 ( 16.985 0.000 -40.574) 43.985 5.852 ( 8.624 0.000 -18.263) 20.197 6.164 ( -4.114 0.000 22.231) 22.608 6.926 ( -1.074 0.000 10.084) 10.141 7.149 ( -9.120 0.000 -15.589) 18.060 7.256 ( 4.599 0.000 12.311) 13.142 7.472 ( 2.927 0.000 3.590) 4.633 7.776 ( 9.608 0.000 -18.187) 20.568 8.017 ( -7.378 0.000 10.129) 12.531 8.323 ( -3.767 0.000 6.573) 7.576 8.548 ( -1.190 0.000 1.306) 1.767 8.613 ( 2.845 0.000 -4.999) 5.752 8.708 ( -18.223 0.000 0.669) 18.235 8.789 ( -11.236 0.000 -1.721) 11.367 8.880 ( -5.857 0.000 -0.117) 5.858 9.226 ( -6.288 0.000 -18.594) 19.629 9.549 ( 10.910 0.000 4.310) 11.731 9.695 ( -0.273 0.000 -3.852) 3.862 9.814 ( -6.236 0.000 -3.867) 7.338 9.847 ( -1.566 0.000 -2.238) 2.731 9.923 ( 9.100 0.000 -5.836) 10.811 9.936 ( 0.337 0.000 -12.204) 12.209 10.428 ( -5.189 0.000 0.689) 5.235 10.434 ( -1.025 0.000 0.325) 1.075 11.465 ( -20.375 0.000 1.678) 20.444 11.476 ( -2.683 0.000 -0.738) 2.783 11.598 ( 2.532 0.000 9.451) 9.784 11.977 ( -4.091 0.000 -4.158) 5.833 12.179 ( -16.661 0.000 3.739) 17.075 12.318 ( -12.536 0.000 -2.009) 12.696 12.431 ( 2.906 0.000 -0.559) 2.959 12.432 ( 0.043 0.000 1.563) 1.564 12.927 ( 1.473 0.000 19.458) 19.513 13.659 ( 12.947 0.000 -17.244) 21.564 13.776 ( 0.019 0.000 11.571) 11.571 14.285 ( -9.618 0.000 -11.828) 15.245 14.299 ( 11.211 0.000 26.590) 28.857 15.312 ( 9.413 0.000 -25.419) 27.106 16.331 ( 11.464 0.000 10.056) 15.250 16.772 ( 15.657 0.000 -9.920) 18.535 17.074 ( 4.684 0.000 8.859) 10.021 17.458 ( 2.906 0.000 -8.452) 8.938 18.275 ( -1.196 0.000 0.453) 1.279 18.292 ( -1.169 0.000 -0.495) 1.270 19.864 ( -12.111 0.000 2.213) 12.311 19.995 ( -13.653 0.000 -2.761) 13.929 20.097 ( -1.241 0.000 1.641) 2.057 20.215 ( -3.743 0.000 -3.410) 5.063 22.179 ( 0.466 0.000 0.013) 0.466 22.182 ( 0.581 0.000 -0.136) 0.597 26.420 ( 2.071 0.000 0.469) 2.124 26.430 ( 2.777 0.000 -0.015) 2.777 26.937 ( 1.799 0.000 3.679) 4.095 27.093 ( 1.299 0.000 -3.449) 3.686 34.665 ( 5.184 0.000 6.939) 8.662 34.959 ( 1.681 0.000 -6.583) 6.795 37.178 ( -48.243 0.000 37.420) 61.055 37.668 ( 5.250 0.000 5.263) 7.434 37.871 ( 0.568 0.000 -5.173) 5.205 38.241 ( -16.177 0.000 -19.448) 25.297 39.327 ( 22.437 0.000 12.354) 25.613 40.042 ( 48.489 0.000 -29.156) 56.579 ======================= Grid point 200 (63/120) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 34.225 0.000 27.262) 43.756 3.173 ( 32.402 0.000 31.493) 45.185 3.912 ( 22.390 0.000 -31.515) 38.659 4.543 ( 13.492 0.000 -30.628) 33.468 4.938 ( 59.483 0.000 40.468) 71.944 6.097 ( -0.144 0.000 20.701) 20.701 6.118 ( 15.351 0.000 -11.074) 18.928 6.884 ( -2.796 0.000 0.803) 2.909 7.050 ( 0.913 0.000 -4.665) 4.754 7.322 ( -1.815 0.000 5.049) 5.365 7.449 ( -7.916 0.000 0.441) 7.929 7.878 ( -3.803 0.000 23.979) 24.279 7.920 ( 3.284 0.000 -22.330) 22.570 8.196 ( -3.984 0.000 6.048) 7.242 8.307 ( -18.795 0.000 -0.356) 18.798 8.504 ( -3.615 0.000 6.337) 7.296 8.557 ( -11.364 0.000 0.016) 11.364 8.649 ( -1.191 0.000 -3.666) 3.855 8.816 ( -2.621 0.000 -1.993) 3.293 9.084 ( -6.902 0.000 -12.736) 14.486 9.515 ( -14.055 0.000 -0.274) 14.058 9.579 ( -10.127 0.000 -0.775) 10.156 9.777 ( 3.213 0.000 -10.233) 10.726 9.825 ( -3.658 0.000 -5.642) 6.724 9.951 ( 2.323 0.000 -7.443) 7.797 10.087 ( 5.722 0.000 -7.436) 9.382 10.349 ( 1.013 0.000 3.829) 3.961 10.463 ( 6.710 0.000 -2.444) 7.141 11.198 ( -5.705 0.000 7.852) 9.706 11.470 ( 0.900 0.000 -5.219) 5.296 11.641 ( 0.103 0.000 6.431) 6.432 11.839 ( -11.502 0.000 7.047) 13.489 11.875 ( -4.555 0.000 -1.671) 4.852 12.214 ( -1.172 0.000 -9.434) 9.506 12.496 ( 3.046 0.000 1.468) 3.381 12.500 ( 3.228 0.000 0.753) 3.314 12.883 ( -3.991 0.000 18.012) 18.449 13.635 ( -12.807 0.000 -17.329) 21.548 13.758 ( -1.407 0.000 12.321) 12.401 14.118 ( -5.869 0.000 -4.498) 7.395 14.495 ( 5.892 0.000 19.260) 20.141 15.365 ( -4.690 0.000 -25.770) 26.193 16.604 ( 13.767 0.000 11.654) 18.038 17.032 ( 7.849 0.000 -6.126) 9.957 17.204 ( 7.554 0.000 7.899) 10.930 17.511 ( 1.152 0.000 -4.622) 4.763 18.246 ( -1.347 0.000 0.418) 1.410 18.271 ( -0.704 0.000 -0.849) 1.102 19.651 ( -7.733 0.000 -4.661) 9.029 19.660 ( -17.486 0.000 -2.566) 17.673 20.040 ( -3.906 0.000 -0.389) 3.925 20.113 ( -5.968 0.000 -2.629) 6.522 22.192 ( 0.735 0.000 0.083) 0.740 22.198 ( 0.874 0.000 -0.195) 0.895 26.470 ( 2.712 0.000 0.729) 2.808 26.496 ( 3.386 0.000 -0.386) 3.408 26.986 ( 2.807 0.000 3.217) 4.269 27.125 ( 1.742 0.000 -3.169) 3.616 34.812 ( 9.023 0.000 5.189) 10.409 35.007 ( 3.025 0.000 -4.232) 5.202 36.455 ( -24.533 0.000 40.113) 47.020 37.754 ( -17.554 0.000 -22.254) 28.344 37.815 ( 8.925 0.000 4.177) 9.855 38.023 ( 0.749 0.000 -8.158) 8.193 39.838 ( 26.784 0.000 17.889) 32.208 40.776 ( 25.406 0.000 -30.360) 39.588 ======================= Grid point 201 (64/120) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 37.673 0.000 19.366) 42.359 3.822 ( 31.999 0.000 18.064) 36.745 4.417 ( 26.857 0.000 -23.678) 35.804 4.740 ( 7.235 0.000 -15.473) 17.081 5.763 ( 11.467 0.000 10.139) 15.307 6.291 ( 0.288 0.000 -13.880) 13.883 6.476 ( 40.409 0.000 25.700) 47.889 6.859 ( -1.342 0.000 3.110) 3.387 7.107 ( -19.668 0.000 7.818) 21.165 7.154 ( 6.094 0.000 -2.771) 6.694 7.170 ( -10.803 0.000 -0.716) 10.826 7.765 ( -16.253 0.000 -8.571) 18.374 7.901 ( 3.683 0.000 29.660) 29.888 8.125 ( -1.506 0.000 -7.032) 7.191 8.263 ( 8.882 0.000 -5.032) 10.209 8.299 ( -12.732 0.000 8.402) 15.255 8.410 ( -5.487 0.000 6.183) 8.267 8.550 ( -5.723 0.000 -0.938) 5.799 8.763 ( -2.709 0.000 -4.367) 5.139 8.965 ( -5.034 0.000 -0.489) 5.058 9.196 ( -16.301 0.000 4.474) 16.904 9.384 ( -6.808 0.000 -11.210) 13.115 9.701 ( -6.883 0.000 -12.856) 14.583 9.746 ( -4.422 0.000 -21.537) 21.987 10.096 ( 11.360 0.000 1.428) 11.449 10.208 ( 6.573 0.000 -3.367) 7.385 10.514 ( 14.240 0.000 4.355) 14.891 10.688 ( 13.882 0.000 -3.703) 14.368 11.132 ( -2.728 0.000 6.600) 7.142 11.348 ( -12.464 0.000 -4.358) 13.204 11.666 ( 5.966 0.000 6.290) 8.669 11.804 ( 2.934 0.000 5.888) 6.579 11.832 ( 0.504 0.000 -1.492) 1.575 12.211 ( 0.399 0.000 -9.929) 9.937 12.504 ( -2.440 0.000 3.419) 4.201 12.541 ( 0.160 0.000 0.948) 0.962 12.832 ( -0.461 0.000 9.590) 9.601 13.289 ( -18.304 0.000 -10.981) 21.345 13.731 ( -1.133 0.000 11.575) 11.630 14.020 ( -4.518 0.000 -1.448) 4.744 14.490 ( -6.650 0.000 11.619) 13.387 15.130 ( -18.389 0.000 -21.491) 28.284 16.834 ( 8.625 0.000 9.666) 12.955 17.099 ( -0.107 0.000 -0.152) 0.186 17.341 ( 5.070 0.000 5.394) 7.403 17.494 ( -1.972 0.000 -2.380) 3.091 18.232 ( 0.044 0.000 0.890) 0.892 18.261 ( -0.454 0.000 0.072) 0.460 19.368 ( -10.071 0.000 0.636) 10.092 19.551 ( -3.073 0.000 -7.203) 7.831 19.955 ( -4.209 0.000 -2.867) 5.093 19.988 ( -6.185 0.000 -2.217) 6.570 22.207 ( 0.753 0.000 0.135) 0.765 22.215 ( 0.790 0.000 -0.232) 0.823 26.525 ( 2.686 0.000 0.511) 2.734 26.557 ( 2.631 0.000 -0.746) 2.734 27.044 ( 2.864 0.000 2.434) 3.758 27.156 ( 1.161 0.000 -2.658) 2.900 35.011 ( 10.141 0.000 4.303) 11.016 35.077 ( 3.795 0.000 -0.583) 3.840 36.120 ( -9.856 0.000 28.923) 30.557 37.325 ( -22.526 0.000 -26.807) 35.015 38.009 ( 9.792 0.000 2.978) 10.235 38.121 ( 6.545 0.000 -2.025) 6.852 40.362 ( 24.388 0.000 16.028) 29.183 41.136 ( 11.639 0.000 -21.223) 24.205 ======================= Grid point 202 (65/120) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.068 ( 36.847 0.000 13.393) 39.206 4.442 ( 28.345 0.000 6.691) 29.124 4.882 ( 7.461 0.000 -3.479) 8.232 4.950 ( 24.320 0.000 -18.524) 30.572 5.850 ( 2.860 0.000 7.186) 7.734 6.217 ( -5.708 0.000 -10.275) 11.755 6.530 ( -23.214 0.000 6.045) 23.988 6.733 ( -15.332 0.000 4.323) 15.930 6.736 ( -11.979 0.000 -6.401) 13.582 7.054 ( -16.437 0.000 -10.584) 19.550 7.573 ( 30.321 0.000 8.366) 31.454 7.589 ( -0.272 0.000 9.774) 9.777 7.843 ( -10.051 0.000 10.005) 14.182 7.964 ( -11.083 0.000 1.789) 11.227 8.223 ( 6.328 0.000 26.756) 27.494 8.329 ( -2.459 0.000 4.549) 5.171 8.479 ( 8.941 0.000 -5.348) 10.418 8.563 ( 4.020 0.000 4.893) 6.332 8.697 ( -2.357 0.000 -3.559) 4.269 8.866 ( -4.738 0.000 4.378) 6.451 8.957 ( -2.743 0.000 5.714) 6.338 9.318 ( -0.257 0.000 -17.172) 17.174 9.575 ( -5.680 0.000 -15.573) 16.577 9.650 ( -5.122 0.000 -20.863) 21.482 10.348 ( 7.421 0.000 0.573) 7.443 10.361 ( 13.420 0.000 0.211) 13.422 10.879 ( 17.507 0.000 7.409) 19.010 10.920 ( 3.052 0.000 2.781) 4.129 11.114 ( -5.980 0.000 -5.133) 7.881 11.133 ( 8.628 0.000 -1.660) 8.786 11.811 ( 6.424 0.000 7.495) 9.872 11.868 ( 3.979 0.000 0.124) 3.981 11.873 ( 2.596 0.000 0.220) 2.605 12.218 ( -0.001 0.000 -9.653) 9.653 12.431 ( -3.926 0.000 1.443) 4.183 12.469 ( -7.485 0.000 -0.425) 7.497 12.841 ( 0.453 0.000 4.487) 4.509 12.997 ( -9.352 0.000 -2.493) 9.678 13.718 ( 0.049 0.000 9.532) 9.532 13.929 ( -4.421 0.000 1.128) 4.562 14.255 ( -14.726 0.000 4.564) 15.417 14.656 ( -27.052 0.000 -16.800) 31.844 16.955 ( 3.704 0.000 6.148) 7.178 17.068 ( -2.176 0.000 2.350) 3.202 17.400 ( 1.437 0.000 0.850) 1.670 17.460 ( -1.245 0.000 -3.618) 3.826 18.241 ( 0.546 0.000 1.257) 1.370 18.252 ( -0.376 0.000 1.006) 1.074 19.273 ( 0.136 0.000 4.633) 4.635 19.495 ( -3.003 0.000 -2.944) 4.206 19.877 ( -3.847 0.000 -3.443) 5.163 19.877 ( -4.068 0.000 -2.989) 5.048 22.221 ( 0.594 0.000 0.123) 0.607 22.228 ( 0.459 0.000 -0.198) 0.500 26.574 ( 2.124 0.000 0.004) 2.124 26.599 ( 1.486 0.000 -0.891) 1.732 27.097 ( 2.338 0.000 1.407) 2.728 27.169 ( 0.134 0.000 -1.872) 1.876 35.155 ( 3.837 0.000 3.888) 5.463 35.188 ( 6.533 0.000 6.897) 9.500 36.036 ( 1.553 0.000 12.368) 12.465 36.881 ( -21.139 0.000 -22.605) 30.949 38.189 ( 7.675 0.000 1.911) 7.909 38.248 ( 5.423 0.000 -0.625) 5.459 40.799 ( 18.606 0.000 10.559) 21.393 41.279 ( 2.989 0.000 -11.927) 12.296 ======================= Grid point 203 (66/120) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.746 ( 27.233 0.000 5.723) 27.828 4.882 ( 12.160 0.000 -0.815) 12.187 5.040 ( 8.374 0.000 2.322) 8.690 5.242 ( -1.336 0.000 -5.175) 5.345 5.952 ( 7.131 0.000 7.466) 10.325 6.088 ( -6.968 0.000 1.224) 7.074 6.166 ( -4.430 0.000 -3.677) 5.757 6.398 ( -18.908 0.000 -14.413) 23.775 6.536 ( -1.951 0.000 -0.122) 1.954 6.694 ( -15.917 0.000 -6.314) 17.123 7.579 ( -0.881 0.000 9.095) 9.138 7.633 ( -6.811 0.000 7.207) 9.916 7.885 ( 2.880 0.000 0.681) 2.960 7.914 ( 4.063 0.000 -2.935) 5.012 8.310 ( 0.952 0.000 7.334) 7.396 8.364 ( 2.107 0.000 17.723) 17.848 8.423 ( -1.779 0.000 19.221) 19.303 8.546 ( -5.965 0.000 21.816) 22.616 8.761 ( 2.935 0.000 -9.992) 10.414 8.803 ( -1.673 0.000 -5.075) 5.344 9.199 ( 19.574 0.000 -3.261) 19.843 9.356 ( 3.559 0.000 -17.834) 18.186 9.464 ( -5.315 0.000 -16.343) 17.186 9.512 ( -9.582 0.000 -14.738) 17.579 10.514 ( 8.786 0.000 4.288) 9.777 10.580 ( 6.414 0.000 1.441) 6.574 10.825 ( -7.580 0.000 8.108) 11.100 10.845 ( -6.032 0.000 4.718) 7.658 11.411 ( 16.261 0.000 -4.779) 16.949 11.417 ( 12.988 0.000 -2.894) 13.307 11.854 ( 0.036 0.000 3.191) 3.191 11.892 ( -1.721 0.000 1.245) 2.124 12.008 ( 7.973 0.000 0.576) 7.993 12.162 ( -6.756 0.000 -5.385) 8.639 12.341 ( -1.839 0.000 -0.999) 2.093 12.363 ( -2.644 0.000 -1.536) 3.058 12.836 ( -0.163 0.000 1.814) 1.822 12.878 ( -3.982 0.000 0.529) 4.017 13.746 ( 3.420 0.000 6.644) 7.473 13.843 ( -4.457 0.000 4.529) 6.354 14.019 ( -5.283 0.000 -3.004) 6.077 14.150 ( -19.074 0.000 -11.926) 22.495 17.002 ( 1.452 0.000 3.420) 3.715 17.030 ( -1.521 0.000 2.432) 2.868 17.422 ( 0.917 0.000 -2.202) 2.385 17.440 ( -0.890 0.000 -3.572) 3.681 18.247 ( 0.043 0.000 1.252) 1.253 18.247 ( -0.091 0.000 1.285) 1.288 19.331 ( 4.493 0.000 5.061) 6.768 19.422 ( -4.195 0.000 1.954) 4.628 19.817 ( -1.360 0.000 -2.612) 2.945 19.822 ( -1.750 0.000 -3.646) 4.044 22.230 ( 0.317 0.000 0.035) 0.318 22.233 ( 0.052 0.000 -0.093) 0.106 26.607 ( 1.087 0.000 -0.479) 1.188 26.616 ( 0.199 0.000 -0.792) 0.817 27.137 ( 1.619 0.000 0.270) 1.641 27.162 ( -0.822 0.000 -0.860) 1.189 35.225 ( 2.842 0.000 8.228) 8.705 35.256 ( 0.353 0.000 10.102) 10.108 36.178 ( 11.900 0.000 -4.458) 12.707 36.485 ( -17.852 0.000 -15.413) 23.586 38.303 ( 3.393 0.000 1.026) 3.545 38.322 ( 1.554 0.000 0.240) 1.572 41.104 ( 11.575 0.000 3.746) 12.166 41.265 ( -4.346 0.000 -3.702) 5.709 ======================= Grid point 209 (67/120) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 37.269 33.943) 50.409 2.315 ( 0.000 19.831 46.176) 50.254 3.638 ( 0.000 20.053 -37.239) 42.295 3.707 ( 0.000 21.015 72.226) 75.221 4.113 ( 0.000 9.914 -41.047) 42.228 5.633 ( 0.000 -8.514 -6.860) 10.934 6.348 ( 0.000 8.266 11.536) 14.192 6.928 ( 0.000 -4.726 7.316) 8.710 7.120 ( 0.000 -16.221 -9.608) 18.853 7.211 ( 0.000 -0.661 24.402) 24.411 7.349 ( 0.000 -3.911 6.313) 7.426 7.512 ( 0.000 -10.007 -20.490) 22.803 8.053 ( 0.000 -5.181 -1.135) 5.304 8.269 ( 0.000 -1.787 -1.743) 2.496 8.459 ( 0.000 -8.132 -7.594) 11.127 8.621 ( 0.000 1.072 -9.150) 9.212 8.746 ( 0.000 0.732 4.048) 4.113 8.944 ( 0.000 -7.903 -8.334) 11.486 9.191 ( 0.000 10.865 3.931) 11.554 9.204 ( 0.000 -10.214 6.293) 11.997 9.429 ( 0.000 4.809 -8.709) 9.949 9.541 ( 0.000 -3.489 -8.665) 9.341 9.872 ( 0.000 5.881 -0.168) 5.883 10.048 ( 0.000 11.941 -5.241) 13.040 10.058 ( 0.000 10.301 -2.403) 10.578 10.110 ( 0.000 12.527 -2.320) 12.740 10.387 ( 0.000 0.180 -2.440) 2.446 10.472 ( 0.000 -3.331 -3.553) 4.870 11.371 ( 0.000 -11.460 2.610) 11.754 11.448 ( 0.000 -9.859 6.603) 11.866 11.657 ( 0.000 -6.509 -2.267) 6.893 11.924 ( 0.000 -9.982 -6.143) 11.721 12.217 ( 0.000 -6.128 3.466) 7.041 12.378 ( 0.000 -1.796 -5.350) 5.643 12.464 ( 0.000 -7.378 6.028) 9.528 12.512 ( 0.000 -10.070 2.012) 10.269 13.012 ( 0.000 8.187 7.643) 11.200 13.320 ( 0.000 3.687 -5.085) 6.281 13.751 ( 0.000 -1.755 9.446) 9.608 14.088 ( 0.000 -6.282 19.592) 20.574 14.494 ( 0.000 6.967 -7.359) 10.134 14.955 ( 0.000 -11.445 -3.505) 11.970 16.271 ( 0.000 5.051 8.390) 9.793 16.616 ( 0.000 3.137 -7.504) 8.133 17.019 ( 0.000 -0.488 8.241) 8.255 17.367 ( 0.000 -3.008 -7.637) 8.208 18.570 ( 0.000 23.261 2.878) 23.438 18.913 ( 0.000 37.973 -18.017) 42.031 19.968 ( 0.000 -3.390 2.371) 4.137 20.048 ( 0.000 -1.327 -0.137) 1.334 20.287 ( 0.000 3.579 -0.893) 3.689 20.480 ( 0.000 28.559 -16.468) 32.967 22.171 ( 0.000 -0.660 0.153) 0.678 22.187 ( 0.000 1.134 -0.565) 1.267 26.410 ( 0.000 1.323 0.177) 1.335 26.412 ( 0.000 1.200 0.014) 1.200 26.901 ( 0.000 -1.538 3.523) 3.845 27.052 ( 0.000 -2.481 -3.397) 4.207 34.648 ( 0.000 3.498 8.700) 9.377 35.014 ( 0.000 6.718 -8.036) 10.475 37.626 ( 0.000 1.268 5.429) 5.575 37.858 ( 0.000 -0.554 -4.388) 4.423 37.994 ( 0.000 -43.427 20.232) 47.909 38.035 ( 0.000 -2.525 5.258) 5.833 38.857 ( 0.000 -17.310 0.407) 17.315 38.907 ( 0.000 -13.032 -4.025) 13.639 ======================= Grid point 210 (68/120) ======================= q-point: ( 0.09 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 17.801 31.740 31.741) 48.288 2.677 ( 28.210 15.615 39.489) 50.981 3.748 ( 10.967 18.144 -35.782) 41.591 4.073 ( 34.119 17.683 53.054) 65.509 4.310 ( 18.353 10.479 -29.981) 36.681 5.705 ( 6.750 -8.899 -2.176) 11.379 6.320 ( -1.455 9.388 9.540) 13.463 6.908 ( -1.129 -3.962 10.571) 11.346 7.000 ( -8.495 -10.795 -14.923) 20.283 7.264 ( 3.746 -3.593 15.097) 15.965 7.371 ( 5.920 -6.996 10.355) 13.828 7.702 ( 10.791 -9.185 -14.070) 19.970 8.007 ( -5.185 -5.227 -1.346) 7.484 8.119 ( -9.831 -3.832 -0.830) 10.584 8.415 ( -8.994 -8.402 -5.040) 13.300 8.538 ( -10.639 -4.295 3.849) 12.101 8.706 ( 1.043 0.077 -14.441) 14.479 8.884 ( -5.946 5.783 -0.880) 8.342 9.105 ( -1.541 7.814 1.976) 8.206 9.268 ( -6.137 4.587 -6.999) 10.378 9.334 ( 4.113 -10.011 0.901) 10.860 9.754 ( 10.948 -1.926 -4.424) 11.964 9.867 ( -3.562 6.695 -1.929) 7.825 9.974 ( -4.452 9.693 -3.973) 11.382 10.017 ( -0.186 7.809 -3.329) 8.490 10.108 ( -3.065 11.778 -2.997) 12.534 10.386 ( -1.160 0.467 -4.845) 5.004 10.432 ( -2.978 -2.526 -0.479) 3.934 11.297 ( -8.651 -11.048 4.279) 14.670 11.403 ( -2.806 -4.416 -0.965) 5.320 11.596 ( -0.740 -3.965 7.231) 8.280 11.896 ( -6.386 -13.725 -2.707) 15.378 12.039 ( -12.577 -2.331 -0.949) 12.826 12.277 ( 3.641 -2.985 -0.556) 4.741 12.434 ( 2.329 0.522 -3.421) 4.171 12.609 ( -12.409 9.664 3.560) 16.126 12.865 ( 2.405 -5.830 13.009) 14.457 13.573 ( 8.164 -6.792 -8.244) 13.444 13.758 ( 1.119 -2.467 6.773) 7.295 14.180 ( 6.063 -7.214 10.251) 13.924 14.368 ( -8.141 3.702 2.530) 9.294 15.116 ( 10.196 -12.389 -9.937) 18.873 16.357 ( 8.803 2.629 8.287) 12.372 16.736 ( 10.004 -0.595 -5.018) 11.208 17.065 ( 4.510 -0.774 7.364) 8.669 17.390 ( 2.144 -2.993 -6.834) 7.762 18.546 ( -2.354 22.289 2.838) 22.592 18.834 ( -7.942 33.774 -12.991) 37.047 19.849 ( -9.557 -0.765 0.776) 9.619 19.985 ( -12.582 -3.332 -4.045) 13.630 20.097 ( -5.931 5.542 1.065) 8.187 20.514 ( -1.528 26.137 -12.274) 28.916 22.152 ( -0.795 -1.591 -0.110) 1.782 22.216 ( 1.735 2.012 -0.278) 2.671 26.425 ( 1.816 0.735 0.218) 1.972 26.450 ( 2.912 1.644 0.046) 3.344 26.919 ( 1.681 -1.668 3.373) 4.122 27.066 ( 1.264 -2.521 -3.331) 4.365 34.698 ( 4.850 3.175 7.857) 9.764 35.026 ( 1.286 6.294 -7.030) 9.523 37.028 ( -41.814 -13.920 38.968) 58.828 37.677 ( 4.850 0.849 4.690) 6.801 37.906 ( 1.609 3.254 -4.450) 5.743 38.180 ( -18.328 -6.128 -17.796) 26.271 38.965 ( 30.333 -31.152 4.365) 43.699 39.785 ( 46.907 -19.444 -10.086) 51.770 ======================= Grid point 211 (69/120) ======================= q-point: ( 0.18 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 30.033 25.033 24.110) 45.934 3.284 ( 30.828 10.454 30.925) 44.900 4.066 ( 19.865 13.881 -29.754) 38.374 4.580 ( 14.167 4.048 -27.798) 31.461 5.089 ( 51.287 13.860 34.188) 63.177 5.885 ( 12.131 -7.988 8.448) 16.803 6.359 ( 5.797 9.774 6.618) 13.150 6.849 ( -4.685 -12.209 -5.254) 14.093 6.890 ( -2.388 0.356 4.516) 5.121 7.381 ( 6.641 -3.442 2.675) 7.944 7.500 ( 5.609 0.685 9.927) 11.423 7.749 ( -9.854 -8.167 3.279) 13.212 7.924 ( -4.774 -9.835 -4.569) 11.849 7.934 ( -3.352 -5.369 -0.991) 6.407 8.149 ( -13.001 -8.334 -6.854) 16.896 8.294 ( -11.848 -7.853 1.206) 14.265 8.712 ( -2.101 5.021 -6.097) 8.174 8.774 ( -6.098 8.336 -2.443) 10.614 8.985 ( -8.232 5.123 -3.507) 10.310 9.240 ( 1.637 12.754 -3.988) 13.463 9.368 ( -2.755 -7.675 2.065) 8.412 9.705 ( -10.110 7.686 -2.102) 12.873 9.808 ( -5.672 1.747 -8.656) 10.495 9.920 ( -7.796 8.687 -4.170) 12.395 10.006 ( 0.477 4.907 -2.197) 5.398 10.088 ( 5.729 -0.001 -4.609) 7.352 10.339 ( 1.794 -2.809 -0.349) 3.351 10.469 ( 6.053 2.831 -2.837) 7.260 11.140 ( -4.207 -4.840 6.784) 9.335 11.417 ( 1.399 -2.776 -6.537) 7.239 11.623 ( 2.951 -2.880 7.806) 8.828 11.635 ( -13.010 -13.850 2.789) 19.206 11.970 ( -0.180 4.807 -2.588) 5.462 12.311 ( -1.645 5.762 -5.581) 8.188 12.453 ( -0.569 -2.318 0.122) 2.390 12.486 ( 2.230 -1.620 0.688) 2.841 12.857 ( -2.958 -2.441 16.126) 16.576 13.545 ( -9.449 -7.807 -11.960) 17.125 13.751 ( -2.706 -1.849 6.744) 7.498 14.118 ( -7.202 0.561 -3.246) 7.919 14.385 ( 4.303 -10.681 16.402) 20.041 15.197 ( -3.457 -12.808 -15.691) 20.548 16.595 ( 12.958 -0.498 9.422) 16.029 16.933 ( 8.037 -5.136 -1.865) 9.718 17.188 ( 6.942 -1.547 5.719) 9.126 17.442 ( 2.606 -2.712 -4.704) 6.022 18.467 ( -6.207 18.906 1.843) 19.984 18.625 ( -10.299 21.576 -2.896) 24.083 19.648 ( -12.447 0.201 -1.936) 12.598 19.681 ( -10.874 1.643 -5.015) 12.087 20.027 ( -3.347 3.252 1.532) 4.911 20.423 ( -6.274 25.252 -10.307) 27.987 22.145 ( 0.116 -2.675 -0.085) 2.679 22.246 ( 1.149 2.710 -0.216) 2.952 26.472 ( 2.707 0.509 0.516) 2.802 26.515 ( 3.264 1.641 -0.315) 3.667 26.964 ( 2.637 -1.964 2.914) 4.394 27.098 ( 1.709 -2.601 -3.068) 4.370 34.835 ( 8.413 2.332 6.000) 10.593 35.067 ( 2.766 5.541 -4.466) 7.635 36.396 ( -21.843 -5.346 38.651) 44.716 37.696 ( -19.402 -6.028 -23.160) 30.808 37.829 ( 7.173 0.837 2.001) 7.494 38.045 ( 5.373 2.901 -4.247) 7.438 39.593 ( 30.778 -21.847 10.676) 39.225 40.553 ( 28.516 -19.264 -17.766) 38.728 ======================= Grid point 212 (70/120) ======================= q-point: ( 0.27 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( 34.646 19.098 17.232) 43.152 3.907 ( 30.642 8.109 18.284) 36.592 4.509 ( 22.341 7.439 -20.335) 31.112 4.805 ( 10.659 7.049 -16.891) 21.181 5.676 ( 6.651 -5.678 5.481) 10.321 6.403 ( 2.544 5.293 -6.197) 8.538 6.528 ( 34.836 4.446 21.463) 41.158 6.787 ( -2.494 -11.505 5.249) 12.889 6.851 ( 2.024 0.971 5.247) 5.707 7.307 ( -13.051 9.087 -1.471) 15.971 7.483 ( -10.973 12.300 2.928) 16.741 7.669 ( -6.974 -12.489 14.535) 20.393 7.732 ( 6.587 -9.020 -0.932) 11.208 7.985 ( -2.914 -5.733 -2.589) 6.932 7.992 ( -1.476 -18.399 2.315) 18.602 8.120 ( -1.318 -7.491 -0.200) 7.609 8.588 ( -9.708 4.288 -0.658) 10.634 8.617 ( -8.127 7.005 -6.383) 12.485 8.853 ( -5.997 4.595 1.703) 7.745 9.209 ( -8.065 10.852 0.999) 13.558 9.277 ( -0.053 14.470 0.593) 14.483 9.501 ( -8.127 7.387 -7.835) 13.491 9.707 ( -5.761 -1.481 -16.573) 17.608 9.727 ( -6.311 2.855 -9.024) 11.376 10.093 ( 6.991 -0.627 -1.679) 7.217 10.229 ( 8.217 1.440 -1.410) 8.461 10.506 ( 13.225 -1.280 3.512) 13.743 10.646 ( 10.929 -2.956 -2.762) 11.654 11.090 ( -1.721 -3.244 4.689) 5.956 11.271 ( -13.094 -7.107 -2.865) 15.171 11.585 ( 5.387 -8.805 -0.009) 10.323 11.714 ( 5.629 0.120 7.035) 9.010 11.967 ( -0.280 4.925 0.172) 4.936 12.273 ( -1.330 5.492 -7.948) 9.752 12.477 ( 0.275 -3.604 0.729) 3.687 12.507 ( -0.067 -2.430 1.132) 2.682 12.805 ( -1.462 -1.999 9.693) 10.004 13.248 ( -17.171 -4.001 -10.374) 20.457 13.700 ( -1.922 -3.108 10.247) 10.879 14.000 ( -5.000 -1.515 0.071) 5.225 14.375 ( -5.992 -11.004 9.881) 15.957 14.979 ( -17.522 -12.534 -16.362) 27.052 16.820 ( 8.748 -1.117 8.214) 12.052 17.038 ( 2.554 -3.969 0.356) 4.733 17.312 ( 4.851 -2.094 3.707) 6.454 17.476 ( 0.511 -0.871 -2.990) 3.156 18.315 ( -6.300 9.692 0.024) 11.559 18.477 ( -5.629 13.035 1.766) 14.308 19.393 ( -9.390 2.406 0.671) 9.716 19.554 ( -4.730 0.615 -4.984) 6.899 19.962 ( -2.677 5.993 1.408) 6.713 20.292 ( -6.421 23.103 -8.805) 25.544 22.155 ( 0.854 -3.129 -0.022) 3.244 22.260 ( 0.218 2.375 -0.158) 2.390 26.528 ( 2.721 0.481 0.418) 2.794 26.574 ( 2.452 1.414 -0.703) 2.916 27.019 ( 2.700 -2.297 2.168) 4.155 27.128 ( 1.148 -2.650 -2.545) 3.849 35.017 ( 8.842 1.133 4.825) 10.136 35.139 ( 4.526 5.341 -1.016) 7.074 36.093 ( -9.198 -2.518 27.757) 29.350 37.259 ( -22.035 -6.393 -26.005) 34.680 38.020 ( 10.226 1.545 1.950) 10.524 38.185 ( 7.456 5.767 -0.910) 9.470 40.179 ( 26.750 -16.717 11.232) 33.484 40.969 ( 13.860 -15.327 -14.691) 25.354 ======================= Grid point 213 (71/120) ======================= q-point: ( 0.36 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.223 ( 34.120 13.757 10.932) 38.379 4.493 ( 26.358 5.316 6.779) 27.730 4.842 ( 10.704 -0.753 -2.892) 11.114 5.139 ( 21.303 14.463 -16.247) 30.446 5.742 ( 3.172 -6.972 4.349) 8.808 6.269 ( -10.158 0.854 -3.727) 10.854 6.584 ( -17.807 4.607 2.505) 18.563 6.625 ( -5.948 -4.526 2.809) 7.984 6.869 ( -15.113 8.344 -3.490) 17.612 7.113 ( -19.803 4.750 -9.384) 22.423 7.561 ( 6.246 -7.587 8.697) 13.123 7.629 ( 12.945 -0.404 11.498) 17.319 7.718 ( -3.352 0.640 6.641) 7.466 7.953 ( 5.411 -8.877 10.733) 14.942 8.063 ( 3.401 -8.863 8.348) 12.641 8.199 ( 4.663 -7.540 3.946) 9.704 8.356 ( -10.558 0.101 0.577) 10.574 8.508 ( -3.661 -2.277 -9.128) 10.095 8.764 ( 1.110 4.492 9.425) 10.499 9.142 ( 3.059 15.518 1.068) 15.852 9.260 ( -3.682 22.568 4.651) 23.335 9.407 ( -0.577 6.499 -13.526) 15.017 9.556 ( -7.034 -1.606 -15.730) 17.305 9.674 ( -2.004 3.226 -14.676) 15.159 10.255 ( 8.347 -5.843 -0.729) 10.215 10.425 ( 10.475 2.770 0.994) 10.881 10.793 ( 7.495 -7.075 5.046) 11.476 10.895 ( 14.269 -2.695 3.127) 14.854 11.020 ( -7.570 -8.108 -3.759) 11.713 11.121 ( 7.753 -1.497 -1.782) 8.095 11.715 ( 6.208 -7.712 0.018) 9.900 11.824 ( 5.024 -0.000 6.143) 7.936 11.961 ( -0.319 1.451 0.434) 1.548 12.247 ( -1.899 2.548 -8.979) 9.525 12.442 ( -2.964 0.579 0.180) 3.025 12.464 ( -5.030 -0.070 -0.635) 5.070 12.786 ( -0.876 -4.726 4.219) 6.396 12.969 ( -8.834 -2.643 -1.960) 9.427 13.673 ( -0.725 -4.434 8.375) 9.504 13.903 ( -4.803 -2.416 2.688) 6.011 14.166 ( -12.912 -8.104 3.995) 15.759 14.532 ( -25.145 -10.711 -14.447) 30.915 16.947 ( 4.156 -0.582 5.268) 6.735 17.053 ( -0.489 -0.966 1.621) 1.949 17.379 ( 2.121 -1.461 0.292) 2.592 17.468 ( -0.979 0.464 -3.113) 3.296 18.250 ( -0.734 3.423 0.356) 3.519 18.372 ( -4.660 7.009 1.583) 8.564 19.291 ( -1.249 1.491 3.355) 3.877 19.464 ( -4.326 -1.674 -2.072) 5.081 19.933 ( 0.044 10.616 1.084) 10.672 20.167 ( -5.958 20.783 -6.383) 22.542 22.178 ( 1.336 -2.811 0.019) 3.113 22.255 ( -0.663 1.223 -0.088) 1.394 26.579 ( 2.196 0.524 -0.013) 2.257 26.612 ( 1.298 1.121 -0.859) 1.918 27.070 ( 2.234 -2.562 1.224) 3.613 27.141 ( 0.118 -2.673 -1.766) 3.206 35.161 ( 5.334 1.175 5.771) 7.946 35.244 ( 4.809 4.608 4.222) 7.886 36.012 ( 1.380 -2.259 12.231) 12.514 36.828 ( -20.425 -5.052 -21.682) 30.213 38.215 ( 8.554 2.959 1.180) 9.128 38.319 ( 5.316 6.308 0.055) 8.249 40.653 ( 19.991 -13.543 7.969) 25.427 41.145 ( 4.047 -12.646 -8.842) 15.953 ======================= Grid point 214 (72/120) ======================= q-point: ( 0.45 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.809 ( 18.896 2.009 0.635) 19.013 4.907 ( 10.374 3.420 2.018) 11.108 5.054 ( 15.668 4.181 5.271) 17.051 5.384 ( -4.832 13.093 -4.046) 14.531 5.902 ( 13.405 -2.858 4.165) 14.325 6.085 ( -5.119 0.292 1.724) 5.409 6.269 ( -7.635 7.582 -2.197) 10.983 6.485 ( -20.340 5.487 -9.895) 23.276 6.558 ( 0.821 3.110 -1.798) 3.685 6.732 ( -15.848 4.070 -6.595) 17.641 7.554 ( -0.908 -7.780 6.532) 10.199 7.571 ( -1.973 -4.575 10.435) 11.564 7.884 ( 2.536 -2.028 2.307) 3.983 7.947 ( -3.336 3.123 3.705) 5.883 8.176 ( 4.768 -4.745 3.139) 7.423 8.227 ( -0.936 -5.891 2.580) 6.499 8.293 ( 3.063 -5.675 10.861) 12.631 8.395 ( -6.208 -6.314 9.863) 13.255 8.949 ( 11.447 6.590 1.126) 13.257 9.135 ( -7.640 17.009 3.057) 18.895 9.280 ( 8.060 9.025 -3.554) 12.611 9.422 ( -6.253 -0.106 -13.639) 15.004 9.475 ( 6.562 10.301 -12.253) 17.300 9.610 ( -5.012 7.374 -13.150) 15.888 10.436 ( 9.792 -6.818 3.450) 12.421 10.583 ( 1.045 -1.434 2.772) 3.291 10.746 ( -2.700 -5.427 6.302) 8.744 10.831 ( -6.347 -1.636 4.623) 8.020 11.299 ( 15.937 -7.263 -3.985) 17.962 11.399 ( 10.286 -4.550 -2.862) 11.605 11.799 ( 3.662 -4.479 1.886) 6.085 11.901 ( -1.863 -0.392 2.594) 3.218 11.973 ( 5.409 -4.008 0.048) 6.733 12.139 ( -8.897 -1.953 -5.183) 10.480 12.375 ( -0.536 2.687 -1.557) 3.152 12.399 ( -2.116 3.263 -1.271) 4.091 12.778 ( 0.703 -5.171 1.374) 5.397 12.843 ( -5.197 -3.437 0.289) 6.238 13.683 ( 2.746 -6.189 4.657) 8.218 13.795 ( -6.285 -5.017 4.428) 9.181 13.973 ( -3.753 -3.509 -1.561) 5.370 14.078 ( -15.906 -5.678 -9.536) 19.395 17.004 ( 1.873 0.238 2.825) 3.397 17.034 ( -1.253 0.470 1.898) 2.322 17.414 ( 1.541 -0.554 -2.158) 2.710 17.444 ( -1.386 0.199 -3.135) 3.433 18.259 ( 1.253 2.067 0.952) 2.598 18.298 ( -2.693 3.308 1.259) 4.448 19.312 ( 2.615 -1.191 3.277) 4.358 19.380 ( -3.927 -2.537 1.033) 4.788 19.967 ( 3.194 15.118 -0.312) 15.455 20.054 ( -5.174 18.321 -3.118) 19.292 22.207 ( 1.491 -1.785 0.020) 2.326 22.235 ( -1.265 -0.313 -0.021) 1.303 26.614 ( 1.207 0.644 -0.463) 1.444 26.626 ( 0.035 0.848 -0.766) 1.144 27.108 ( 1.595 -2.691 0.202) 3.135 27.133 ( -0.841 -2.701 -0.818) 2.945 35.248 ( 3.423 2.239 8.251) 9.209 35.290 ( -0.327 3.259 8.862) 9.448 36.148 ( 11.515 -2.866 -3.971) 12.513 36.445 ( -17.280 -3.789 -14.619) 22.949 38.348 ( 4.348 4.501 0.750) 6.303 38.383 ( 0.853 5.733 0.455) 5.813 40.978 ( 12.150 -11.858 2.964) 17.234 41.142 ( -4.154 -11.552 -2.770) 12.585 ======================= Grid point 220 (73/120) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 0.000 30.451 35.837) 47.027 2.963 ( 0.000 33.750 31.981) 46.496 4.118 ( 0.000 23.156 -28.498) 36.720 4.316 ( 0.000 24.466 -5.447) 25.065 4.489 ( 0.000 38.412 17.305) 42.130 5.532 ( 0.000 -0.624 7.152) 7.179 6.439 ( 0.000 0.524 11.184) 11.196 6.587 ( 0.000 -24.618 9.505) 26.389 6.751 ( 0.000 -19.640 -8.441) 21.377 7.107 ( 0.000 -13.386 1.234) 13.443 7.348 ( 0.000 -0.358 -1.864) 1.899 7.369 ( 0.000 5.538 15.854) 16.793 7.921 ( 0.000 -6.100 -13.082) 14.434 8.254 ( 0.000 -7.111 -17.966) 19.322 8.316 ( 0.000 -5.486 -3.396) 6.452 8.487 ( 0.000 -8.986 -11.717) 14.766 8.839 ( 0.000 -3.691 1.243) 3.894 8.853 ( 0.000 8.260 0.342) 8.267 9.071 ( 0.000 -0.689 4.472) 4.524 9.331 ( 0.000 2.488 2.868) 3.797 9.451 ( 0.000 -4.700 -13.353) 14.156 9.515 ( 0.000 2.730 -5.512) 6.151 10.081 ( 0.000 11.098 4.827) 12.102 10.083 ( 0.000 -4.739 2.764) 5.486 10.216 ( 0.000 -17.504 -1.676) 17.585 10.275 ( 0.000 8.251 -1.769) 8.438 10.326 ( 0.000 13.518 4.675) 14.303 10.658 ( 0.000 15.034 -7.557) 16.827 11.223 ( 0.000 -9.830 4.884) 10.976 11.262 ( 0.000 2.064 1.735) 2.697 11.521 ( 0.000 -4.680 -1.485) 4.909 11.604 ( 0.000 -19.287 -2.950) 19.511 12.100 ( 0.000 -4.610 -0.094) 4.611 12.230 ( 0.000 -10.708 -1.747) 10.850 12.333 ( 0.000 -6.570 0.283) 6.576 12.435 ( 0.000 -0.254 -7.979) 7.983 13.123 ( 0.000 2.869 7.237) 7.785 13.359 ( 0.000 0.485 1.457) 1.535 13.677 ( 0.000 -5.525 4.049) 6.850 13.932 ( 0.000 -8.528 10.335) 13.400 14.648 ( 0.000 7.325 -1.142) 7.414 14.810 ( 0.000 -2.782 4.777) 5.528 16.394 ( 0.000 6.657 8.282) 10.626 16.694 ( 0.000 3.899 -5.126) 6.441 17.014 ( 0.000 0.154 5.799) 5.801 17.311 ( 0.000 -2.730 -7.462) 7.945 19.115 ( 0.000 25.454 5.110) 25.962 19.413 ( 0.000 12.683 -7.155) 14.562 19.924 ( 0.000 -1.112 0.516) 1.226 20.012 ( 0.000 -2.032 -2.744) 3.414 20.435 ( 0.000 11.983 6.384) 13.577 21.177 ( 0.000 32.503 -39.101) 50.846 22.141 ( 0.000 -2.393 0.245) 2.405 22.215 ( 0.000 1.363 -2.511) 2.857 26.446 ( 0.000 2.070 -0.268) 2.087 26.448 ( 0.000 2.198 -0.070) 2.199 26.862 ( 0.000 -2.090 2.610) 3.344 26.983 ( 0.000 -3.977 -2.916) 4.931 34.753 ( 0.000 6.525 11.309) 13.056 35.197 ( 0.000 10.231 -8.256) 13.147 37.063 ( 0.000 -39.126 41.956) 57.368 37.663 ( 0.000 2.308 5.184) 5.674 37.814 ( 0.000 -6.255 -1.436) 6.418 37.950 ( 0.000 -5.133 -7.605) 9.175 38.443 ( 0.000 -18.956 1.596) 19.023 38.697 ( 0.000 -9.116 -8.814) 12.680 ======================= Grid point 221 (74/120) ======================= q-point: ( 0.09 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 18.749 32.081 29.899) 47.694 3.112 ( 15.322 27.304 31.216) 44.212 4.186 ( 7.126 21.113 -26.324) 34.488 4.459 ( 12.439 16.398 -22.497) 30.492 4.794 ( 28.649 38.518 30.402) 56.822 5.580 ( 5.011 -2.706 7.774) 9.636 6.417 ( -2.626 -1.930 8.731) 9.319 6.633 ( 2.672 -21.023 10.338) 23.579 6.735 ( 2.940 -13.340 -2.876) 13.959 7.199 ( 5.771 -8.764 -4.188) 11.298 7.305 ( -1.227 0.626 11.060) 11.145 7.390 ( 0.317 -7.810 6.488) 10.158 7.880 ( -3.695 -4.222 -15.357) 16.350 8.165 ( -5.216 -4.816 -13.313) 15.088 8.308 ( -5.460 -3.483 -1.742) 6.706 8.530 ( -0.530 -3.766 -5.917) 7.034 8.564 ( -8.985 3.132 -7.040) 11.836 8.954 ( -3.824 -9.051 -2.156) 10.059 9.121 ( 8.878 7.625 0.779) 11.729 9.262 ( -7.405 -1.535 -2.807) 8.067 9.437 ( -1.130 9.455 -0.658) 9.545 9.675 ( 13.498 -5.688 -6.257) 15.928 10.006 ( -6.604 -0.912 0.271) 6.672 10.077 ( -3.227 -1.145 -0.544) 3.467 10.201 ( -0.165 -5.420 3.540) 6.476 10.222 ( -4.319 5.968 -1.169) 7.459 10.281 ( -5.057 11.153 3.261) 12.673 10.644 ( -1.014 14.741 -5.557) 15.786 11.109 ( -5.287 -5.993 4.537) 9.190 11.397 ( 7.155 -0.060 -0.115) 7.156 11.452 ( -4.425 -4.573 0.094) 6.364 11.546 ( -6.968 -16.100 -1.565) 17.613 12.022 ( -2.245 -1.462 -6.387) 6.926 12.188 ( 2.156 -5.808 1.592) 6.396 12.429 ( -0.619 -1.509 -6.246) 6.456 12.608 ( 13.559 -11.781 3.833) 18.367 12.851 ( -17.278 6.950 1.816) 18.711 13.430 ( -0.351 -6.541 3.201) 7.291 13.668 ( 0.372 -5.937 2.849) 6.596 13.989 ( 4.042 -10.813 7.731) 13.894 14.461 ( -12.828 5.557 1.533) 14.064 14.953 ( 6.882 -3.796 2.494) 8.246 16.438 ( 5.127 5.075 6.332) 9.598 16.762 ( 5.650 2.202 -2.254) 6.469 17.055 ( 4.019 0.047 4.537) 6.061 17.341 ( 2.767 -2.181 -6.370) 7.279 19.045 ( -6.476 21.690 4.058) 22.997 19.304 ( -12.199 13.401 -4.115) 18.583 19.842 ( -7.181 0.025 -0.470) 7.196 19.924 ( -9.080 -1.934 -3.859) 10.053 20.292 ( -8.203 13.949 3.498) 16.556 21.164 ( -3.170 31.197 -28.533) 42.396 22.107 ( -1.933 -2.780 -0.702) 3.458 22.260 ( 2.887 2.091 -1.481) 3.860 26.452 ( 1.431 1.847 -0.042) 2.337 26.491 ( 3.006 2.227 -0.187) 3.746 26.876 ( 1.318 -2.332 2.507) 3.669 26.996 ( 1.139 -4.073 -2.924) 5.142 34.794 ( 4.031 6.035 10.410) 12.690 35.198 ( 0.253 9.564 -6.773) 11.722 36.667 ( -24.567 -18.579 38.875) 49.598 37.701 ( 3.804 1.189 2.961) 4.965 37.940 ( -19.103 -18.645 -17.149) 31.728 38.000 ( 2.598 5.131 -3.810) 6.899 38.353 ( 33.961 -21.143 1.607) 40.037 39.365 ( 39.478 -20.501 -0.336) 44.485 ======================= Grid point 222 (75/120) ======================= q-point: ( 0.18 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 23.159 30.655 19.364) 43.023 3.589 ( 27.853 19.991 27.681) 44.064 4.393 ( 12.479 14.490 -20.042) 27.702 4.742 ( 14.404 12.870 -26.785) 33.023 5.424 ( 21.431 13.681 16.321) 30.213 5.843 ( 28.312 6.409 12.478) 31.597 6.373 ( 0.787 -7.875 14.670) 16.668 6.667 ( 2.999 -7.545 11.661) 14.210 6.860 ( 2.712 -5.260 1.450) 6.093 7.240 ( -1.055 -13.076 6.117) 14.475 7.294 ( 3.665 -7.261 -1.276) 8.233 7.492 ( 5.999 -12.000 6.036) 14.711 7.788 ( -3.032 5.127 -15.478) 16.585 8.035 ( -9.800 -9.862 -2.536) 14.132 8.106 ( -11.147 7.129 -3.844) 13.779 8.306 ( -10.655 14.472 -6.370) 19.066 8.624 ( 3.271 -8.136 -5.745) 10.483 8.868 ( -8.789 -1.772 -4.023) 9.828 9.103 ( -3.719 -3.986 -9.500) 10.953 9.218 ( 0.029 4.598 2.058) 5.038 9.480 ( 5.206 8.914 -1.954) 10.506 9.843 ( -8.702 2.896 2.598) 9.532 9.850 ( -4.844 -0.867 -5.541) 7.411 10.027 ( 1.922 -7.382 -1.952) 7.874 10.067 ( -6.077 -0.208 -0.578) 6.108 10.150 ( -4.216 10.006 -1.775) 11.002 10.261 ( 4.443 3.989 4.179) 7.288 10.631 ( -0.267 10.327 -1.968) 10.516 11.046 ( -1.063 -2.501 3.206) 4.203 11.293 ( -11.487 -16.713 -0.073) 20.280 11.426 ( -0.603 0.673 -2.868) 3.007 11.566 ( 7.077 -0.076 2.606) 7.542 12.026 ( 0.640 0.186 -5.430) 5.471 12.265 ( 4.630 -7.413 -1.893) 8.943 12.410 ( -0.701 -4.984 -0.875) 5.109 12.567 ( -9.717 9.022 -1.419) 13.335 12.772 ( 2.629 -6.330 8.709) 11.083 13.343 ( -7.406 -10.846 -6.266) 14.552 13.663 ( -1.953 -6.378 3.790) 7.672 14.058 ( 2.323 -15.335 5.235) 16.370 14.193 ( -12.773 3.101 5.272) 14.162 14.972 ( -5.884 -8.111 -1.461) 10.126 16.604 ( 10.333 1.665 5.600) 11.870 16.882 ( 5.797 -0.632 -0.137) 5.833 17.164 ( 6.255 -0.233 2.988) 6.936 17.408 ( 3.457 -1.256 -4.255) 5.624 18.864 ( -12.853 16.026 2.306) 20.673 18.939 ( -18.907 9.343 -0.554) 21.097 19.671 ( -10.561 2.155 -0.755) 10.805 19.721 ( -8.227 2.074 -3.582) 9.210 20.201 ( -1.644 14.143 3.046) 14.560 21.035 ( -8.679 29.900 -17.515) 35.723 22.080 ( -0.727 -3.488 -0.593) 3.612 22.304 ( 1.220 2.690 -0.932) 3.098 26.495 ( 2.576 1.637 0.312) 3.068 26.555 ( 3.087 2.113 -0.456) 3.768 26.912 ( 2.144 -2.883 2.138) 4.181 27.025 ( 1.581 -4.268 -2.763) 5.324 34.909 ( 7.135 4.821 8.300) 11.960 35.217 ( 1.779 8.241 -3.867) 9.275 36.261 ( -15.402 -6.712 32.757) 36.814 37.480 ( -20.962 -14.808 -23.808) 35.007 37.859 ( 9.398 2.513 1.828) 9.899 38.158 ( 9.339 7.863 -1.374) 12.286 39.073 ( 35.484 -25.185 2.704) 43.598 40.082 ( 30.005 -24.776 -3.523) 39.071 ======================= Grid point 223 (76/120) ======================= q-point: ( 0.27 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( 26.360 21.296 10.905) 35.599 4.170 ( 29.147 19.390 18.652) 39.667 4.643 ( 11.426 4.895 -7.798) 14.674 5.056 ( 17.958 16.420 -21.632) 32.558 5.601 ( 2.834 -1.080 3.480) 4.616 6.242 ( 1.635 -15.919 1.618) 16.085 6.643 ( 6.300 5.766 9.632) 12.873 6.797 ( 3.384 0.133 4.387) 5.542 6.937 ( 29.318 8.596 18.863) 35.906 7.207 ( -7.840 -10.014 0.648) 12.735 7.294 ( -0.131 -18.383 8.839) 20.398 7.518 ( -3.670 -9.297 -0.897) 10.035 7.741 ( -10.163 2.086 0.360) 10.381 7.925 ( -6.019 6.222 -3.675) 9.404 7.944 ( 8.601 4.758 -3.911) 10.579 8.121 ( -7.372 14.036 0.752) 15.872 8.600 ( -7.989 -5.468 -8.920) 13.164 8.658 ( -6.847 0.594 0.526) 6.892 9.013 ( -7.034 10.888 -4.092) 13.593 9.265 ( 4.519 -7.769 -7.438) 11.666 9.548 ( -6.824 11.053 -0.577) 13.003 9.619 ( -0.759 2.354 -7.020) 7.443 9.737 ( -5.173 2.619 -6.605) 8.789 9.878 ( -6.214 7.722 5.200) 11.192 10.084 ( -0.027 3.571 -3.424) 4.947 10.236 ( 9.261 -1.445 -0.190) 9.375 10.441 ( 12.897 -3.847 2.399) 13.671 10.631 ( 0.703 1.152 -1.004) 1.682 11.044 ( -5.746 -5.350 1.698) 8.033 11.053 ( -5.331 -7.589 -0.104) 9.274 11.468 ( 4.231 -2.568 -0.286) 4.958 11.693 ( 5.076 -1.812 2.461) 5.924 11.998 ( -3.502 -2.124 -2.678) 4.893 12.345 ( 3.245 -7.898 -2.279) 8.837 12.411 ( -2.062 6.101 -4.072) 7.620 12.463 ( 0.786 -1.490 -0.755) 1.846 12.763 ( -2.478 -2.288 7.583) 8.299 13.129 ( -13.204 -7.231 -7.549) 16.841 13.601 ( -3.300 -6.292 6.588) 9.689 13.977 ( -8.648 -2.249 6.647) 11.136 14.059 ( -2.634 -16.070 2.212) 16.434 14.721 ( -18.203 -10.949 -5.333) 21.902 16.805 ( 8.656 -0.041 5.076) 10.035 16.984 ( 4.072 -1.428 -0.105) 4.316 17.281 ( 4.894 -0.565 1.986) 5.312 17.463 ( 1.701 -0.604 -2.743) 3.283 18.528 ( -14.086 9.225 -0.255) 16.840 18.685 ( -10.632 6.619 1.525) 12.617 19.456 ( -9.186 3.398 0.295) 9.798 19.579 ( -6.720 1.592 -1.941) 7.174 20.203 ( 1.672 16.939 3.327) 17.343 20.849 ( -9.329 28.013 -10.971) 31.498 22.079 ( 0.651 -4.120 -0.172) 4.174 22.307 ( -0.847 2.005 -0.530) 2.240 26.549 ( 2.672 1.529 0.361) 3.100 26.609 ( 2.159 1.879 -0.760) 2.961 26.957 ( 2.244 -3.476 1.541) 4.416 27.053 ( 1.094 -4.401 -2.280) 5.076 35.066 ( 7.887 3.588 6.592) 10.887 35.276 ( 4.097 7.326 -1.682) 8.561 36.030 ( -7.815 -2.950 23.526) 24.966 37.067 ( -19.981 -11.983 -23.406) 33.025 38.084 ( 12.127 4.798 1.061) 13.085 38.348 ( 8.867 9.838 -0.031) 13.244 39.746 ( 30.565 -23.242 4.171) 38.624 40.555 ( 17.120 -23.526 -4.950) 29.514 ======================= Grid point 224 (77/120) ======================= q-point: ( 0.36 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.473 ( 20.085 6.526 1.346) 21.161 4.736 ( 24.029 16.323 10.489) 30.885 4.867 ( 13.405 6.304 4.720) 15.547 5.469 ( 22.080 13.468 -13.519) 29.183 5.664 ( 5.039 2.714 4.163) 7.077 6.195 ( -4.554 -5.925 -1.292) 7.584 6.591 ( -4.054 -0.400 2.042) 4.557 6.705 ( -15.060 7.514 -0.080) 16.830 6.941 ( -9.093 -5.428 2.907) 10.982 7.232 ( -18.766 5.867 -7.726) 21.125 7.283 ( -1.318 -14.497 3.710) 15.022 7.460 ( -3.371 -9.343 7.293) 12.323 7.825 ( 8.696 -8.740 10.141) 15.964 7.892 ( 15.418 13.015 8.763) 21.997 7.995 ( 2.537 5.902 2.897) 7.047 8.163 ( 5.606 7.159 0.278) 9.097 8.427 ( -9.497 -1.712 -1.356) 9.744 8.502 ( -8.683 6.128 -5.265) 11.861 8.884 ( -2.239 8.458 2.099) 8.998 9.311 ( -1.031 -5.268 -10.429) 11.730 9.465 ( 1.351 3.435 -9.498) 10.190 9.637 ( -4.792 6.640 -7.879) 11.363 9.662 ( 1.760 14.008 3.251) 14.488 9.815 ( -0.118 10.900 4.699) 11.870 10.123 ( 3.968 -4.985 -3.178) 7.120 10.442 ( 8.435 -2.406 0.876) 8.815 10.660 ( 2.472 -4.337 3.249) 5.956 10.760 ( 14.051 -10.116 -5.607) 18.199 10.856 ( -1.458 -7.317 4.700) 8.818 11.094 ( 4.609 0.493 -2.016) 5.055 11.570 ( 5.075 -6.654 0.951) 8.422 11.768 ( 2.935 -5.205 2.271) 6.392 11.915 ( -4.221 -5.419 -1.953) 7.141 12.316 ( -6.575 3.243 -6.229) 9.620 12.404 ( 0.732 -3.805 -2.732) 4.741 12.491 ( -0.035 1.000 -0.982) 1.402 12.687 ( -4.034 -3.720 4.169) 6.892 12.898 ( -8.275 -3.861 -0.426) 9.141 13.541 ( -2.751 -7.910 5.310) 9.917 13.809 ( -8.834 -8.970 5.858) 13.886 13.972 ( -4.601 -7.382 0.339) 8.705 14.301 ( -21.114 -9.742 -6.566) 24.163 16.941 ( 5.016 0.207 3.240) 5.975 17.041 ( 1.582 -0.229 0.121) 1.603 17.357 ( 2.756 -0.533 0.227) 2.816 17.472 ( -0.718 -0.186 -2.476) 2.585 18.348 ( -4.377 5.282 -0.013) 6.860 18.490 ( -8.240 4.065 1.199) 9.266 19.325 ( -3.768 1.811 1.321) 4.384 19.449 ( -6.011 -0.013 -0.611) 6.042 20.263 ( 4.184 19.967 2.915) 20.607 20.668 ( -8.531 25.869 -6.181) 27.931 22.106 ( 1.992 -4.074 0.079) 4.535 22.273 ( -2.364 0.402 -0.197) 2.406 26.599 ( 2.204 1.439 0.039) 2.632 26.641 ( 1.012 1.631 -0.860) 2.103 27.000 ( 1.925 -3.960 0.823) 4.479 27.065 ( 0.102 -4.435 -1.555) 4.701 35.209 ( 6.179 3.498 6.738) 9.788 35.365 ( 3.661 6.818 1.156) 7.824 35.951 ( 0.478 -3.409 11.668) 12.165 36.679 ( -18.362 -9.195 -18.992) 27.972 38.320 ( 10.563 7.208 0.664) 12.805 38.495 ( 5.357 10.635 0.424) 11.916 40.284 ( 22.506 -20.904 3.644) 30.932 40.787 ( 6.196 -21.108 -3.656) 22.300 ======================= Grid point 225 (78/120) ======================= q-point: ( 0.45 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( 10.554 -3.789 1.059) 11.263 4.903 ( -1.304 -3.869 4.863) 6.350 5.349 ( 26.233 21.661 6.599) 34.654 5.733 ( -6.094 17.282 0.376) 18.329 5.899 ( 18.747 4.950 -1.408) 19.441 6.096 ( -3.539 1.118 -0.020) 3.711 6.422 ( -6.349 6.040 -0.631) 8.786 6.547 ( -5.236 2.222 -4.737) 7.402 6.661 ( -8.817 4.977 0.773) 10.154 6.858 ( -17.264 6.696 -7.834) 20.106 7.301 ( 2.460 -13.300 4.262) 14.181 7.358 ( -3.398 -12.936 9.250) 16.261 7.881 ( 3.052 -0.549 4.576) 5.528 7.964 ( -3.281 -1.979 0.097) 3.833 8.210 ( 2.969 6.476 3.618) 7.990 8.264 ( 3.027 2.870 5.550) 6.943 8.282 ( -0.209 6.582 -1.382) 6.729 8.353 ( -5.126 7.248 3.724) 9.627 8.983 ( 10.394 -0.131 -2.412) 10.671 9.204 ( -9.557 -5.114 -6.674) 12.729 9.510 ( 2.270 7.727 -8.601) 11.782 9.557 ( -2.859 8.195 -7.522) 11.485 9.738 ( 4.887 13.720 1.985) 14.699 9.808 ( -1.672 11.704 0.318) 11.827 10.254 ( 8.872 -9.814 1.270) 13.291 10.444 ( -8.255 -10.934 2.525) 13.932 10.700 ( 6.020 0.273 5.527) 8.177 10.803 ( -2.400 -0.779 3.300) 4.154 11.149 ( 14.348 -6.958 -2.337) 16.116 11.261 ( 6.600 -7.125 -2.953) 10.152 11.651 ( 4.803 -10.061 0.820) 11.179 11.797 ( -5.783 -11.014 0.291) 12.444 11.885 ( 7.236 -2.589 -0.823) 7.729 12.103 ( -12.628 -1.679 -3.452) 13.199 12.418 ( 1.518 -0.173 -2.875) 3.256 12.463 ( -2.259 1.673 -1.190) 3.053 12.659 ( 1.162 -4.554 1.377) 4.898 12.746 ( -7.143 -5.115 0.390) 8.794 13.511 ( 1.214 -9.441 1.508) 9.637 13.622 ( -8.970 -11.022 0.958) 14.243 13.914 ( -0.641 -1.766 1.369) 2.324 13.981 ( -8.806 -3.062 -2.140) 9.565 17.016 ( 2.571 0.935 1.464) 3.103 17.049 ( -0.718 0.935 0.590) 1.318 17.403 ( 2.095 -0.411 -1.573) 2.651 17.444 ( -1.848 -0.217 -2.409) 3.044 18.316 ( 0.624 3.139 0.675) 3.271 18.364 ( -4.190 2.877 1.032) 5.186 19.297 ( 0.748 -0.114 1.413) 1.603 19.346 ( -3.928 -0.771 0.573) 4.044 20.368 ( 6.102 22.189 1.059) 23.037 20.506 ( -7.499 23.974 -2.127) 25.209 22.156 ( 2.886 -3.128 0.138) 4.258 22.217 ( -3.051 -1.493 0.037) 3.397 26.635 ( 1.305 1.400 -0.389) 1.953 26.650 ( -0.168 1.459 -0.722) 1.636 27.034 ( 1.465 -4.262 0.055) 4.507 27.058 ( -0.824 -4.397 -0.744) 4.535 35.317 ( 4.570 4.477 7.431) 9.806 35.385 ( -1.677 5.843 6.169) 8.661 36.064 ( 10.327 -5.127 -2.554) 11.809 36.333 ( -15.664 -6.890 -12.333) 21.093 38.490 ( 5.944 9.149 0.536) 10.923 38.551 ( -0.063 10.339 0.512) 10.352 40.645 ( 13.140 -19.527 1.582) 23.589 40.813 ( -3.555 -19.592 -1.129) 19.944 ======================= Grid point 231 (79/120) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 0.000 32.686 25.975) 41.750 3.587 ( 0.000 27.619 30.941) 41.475 4.494 ( 0.000 12.322 -12.093) 17.265 4.682 ( 0.000 13.973 -22.271) 26.292 5.535 ( 0.000 50.464 19.590) 54.132 5.537 ( 0.000 -1.860 14.476) 14.595 6.096 ( 0.000 -17.420 7.780) 19.078 6.327 ( 0.000 -19.004 0.060) 19.004 6.493 ( 0.000 7.769 10.769) 13.279 6.726 ( 0.000 -19.854 -17.599) 26.531 7.465 ( 0.000 8.676 12.384) 15.120 7.515 ( 0.000 6.718 12.926) 14.568 7.849 ( 0.000 -0.341 -22.044) 22.046 7.897 ( 0.000 -20.117 -14.574) 24.841 8.218 ( 0.000 -3.490 -1.603) 3.840 8.307 ( 0.000 -13.376 -1.108) 13.422 8.839 ( 0.000 5.765 -2.285) 6.201 8.926 ( 0.000 -14.807 1.195) 14.856 9.078 ( 0.000 -5.605 -4.535) 7.210 9.197 ( 0.000 -6.484 -9.861) 11.801 9.434 ( 0.000 1.765 -6.263) 6.507 9.492 ( 0.000 -1.666 -6.772) 6.974 9.879 ( 0.000 -4.517 2.834) 5.333 10.105 ( 0.000 6.209 -5.462) 8.270 10.324 ( 0.000 9.092 4.197) 10.014 10.384 ( 0.000 1.853 2.110) 2.808 10.666 ( 0.000 17.428 13.263) 21.901 10.739 ( 0.000 -4.860 8.989) 10.219 11.154 ( 0.000 1.762 2.463) 3.029 11.193 ( 0.000 -18.421 -4.424) 18.944 11.382 ( 0.000 6.512 1.513) 6.686 11.518 ( 0.000 3.401 -5.258) 6.263 11.996 ( 0.000 -11.054 -2.481) 11.329 12.006 ( 0.000 -5.237 -6.104) 8.043 12.200 ( 0.000 -4.605 -4.108) 6.171 12.421 ( 0.000 -1.699 -13.061) 13.171 13.151 ( 0.000 0.408 8.602) 8.611 13.345 ( 0.000 -2.357 10.002) 10.276 13.550 ( 0.000 -5.213 -4.346) 6.787 13.750 ( 0.000 -8.584 3.514) 9.276 14.776 ( 0.000 4.790 2.345) 5.333 14.806 ( 0.000 1.470 7.367) 7.512 16.535 ( 0.000 6.743 7.561) 10.130 16.755 ( 0.000 1.487 -0.673) 1.632 17.033 ( 0.000 1.903 1.453) 2.394 17.249 ( 0.000 -3.336 -6.646) 7.436 19.499 ( 0.000 11.271 2.035) 11.453 19.570 ( 0.000 4.380 -1.011) 4.495 19.914 ( 0.000 0.027 -0.002) 0.027 19.970 ( 0.000 -1.839 -2.582) 3.170 20.805 ( 0.000 22.764 11.822) 25.650 21.665 ( 0.000 12.883 -26.305) 29.290 22.081 ( 0.000 -2.052 -5.949) 6.293 22.233 ( 0.000 0.221 -6.564) 6.568 26.493 ( 0.000 2.257 -0.664) 2.353 26.495 ( 0.000 2.241 -0.441) 2.284 26.822 ( 0.000 -1.679 1.471) 2.232 26.898 ( 0.000 -4.048 -2.042) 4.534 34.913 ( 0.000 8.864 14.986) 17.411 35.371 ( 0.000 4.213 -0.061) 4.213 36.514 ( 0.000 -12.576 27.110) 29.885 37.473 ( 0.000 -24.163 -15.752) 28.844 37.718 ( 0.000 2.970 5.072) 5.878 37.889 ( 0.000 -1.746 -1.442) 2.264 38.211 ( 0.000 -3.874 3.999) 5.568 38.509 ( 0.000 -8.954 -8.328) 12.228 ======================= Grid point 232 (80/120) ======================= q-point: ( 0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 11.684 26.209 27.173) 39.520 3.777 ( 16.596 31.890 24.146) 43.306 4.512 ( 2.012 9.905 -10.279) 14.416 4.801 ( 11.310 14.864 -23.049) 29.666 5.488 ( -0.227 3.928 11.973) 12.603 5.736 ( 13.538 29.123 10.768) 33.872 6.159 ( 3.423 -20.020 8.750) 22.115 6.253 ( 1.191 -4.544 14.942) 15.663 6.645 ( 10.535 5.301 9.769) 15.314 6.770 ( 2.913 -22.835 -17.836) 29.121 7.425 ( -3.001 8.245 7.684) 11.663 7.489 ( -1.309 7.951 11.672) 14.183 7.789 ( -4.846 -10.555 -14.418) 18.514 7.960 ( 5.044 -3.773 -20.431) 21.380 8.164 ( -3.285 -7.409 5.601) 9.852 8.405 ( 7.067 -9.688 -3.924) 12.617 8.755 ( -5.960 -2.772 -5.616) 8.646 8.825 ( -6.052 8.387 -4.313) 11.206 9.094 ( -3.484 -17.303 -6.273) 18.732 9.304 ( 7.570 3.925 -3.617) 9.262 9.465 ( 4.050 -6.994 -1.089) 8.155 9.579 ( 7.392 -1.999 -6.179) 9.840 9.820 ( -4.554 -4.020 0.691) 6.114 10.008 ( -8.256 3.488 -6.437) 11.034 10.269 ( -7.599 2.355 2.460) 8.327 10.361 ( -1.034 6.891 2.141) 7.290 10.626 ( -2.905 16.456 12.135) 20.652 10.749 ( -0.169 -2.421 8.405) 8.748 11.118 ( -4.645 -8.544 0.788) 9.757 11.146 ( -1.978 -0.864 -2.837) 3.565 11.365 ( -0.683 -0.293 7.134) 7.172 11.619 ( 6.915 9.292 -11.315) 16.192 11.954 ( 1.312 -5.560 -7.151) 9.152 12.049 ( -0.092 -6.672 1.783) 6.906 12.272 ( 3.453 -12.780 -4.605) 14.016 12.425 ( 2.516 -4.061 -11.952) 12.871 12.987 ( -11.999 5.453 4.317) 13.869 13.302 ( -5.792 -6.172 9.304) 12.578 13.544 ( -0.304 -4.976 -0.555) 5.017 13.763 ( 0.232 -10.447 2.421) 10.726 14.595 ( -11.513 7.088 4.208) 14.159 14.905 ( 2.137 -1.961 5.887) 6.563 16.555 ( 2.705 5.892 5.151) 8.280 16.791 ( 3.060 0.074 0.819) 3.169 17.078 ( 4.304 2.343 0.715) 4.953 17.291 ( 3.732 -2.792 -5.182) 6.969 19.336 ( -12.636 7.640 0.738) 14.784 19.479 ( -12.943 4.019 0.450) 13.560 19.855 ( -4.675 1.391 -0.465) 4.900 19.907 ( -6.017 -0.092 -2.164) 6.395 20.692 ( -7.516 23.767 7.345) 25.986 21.626 ( -4.641 10.317 -17.461) 20.806 22.065 ( -0.747 0.924 -8.022) 8.109 22.292 ( 3.855 0.657 -4.447) 5.922 26.497 ( 1.313 2.437 -0.336) 2.789 26.536 ( 2.849 1.937 -0.542) 3.487 26.830 ( 0.849 -1.899 1.405) 2.510 26.908 ( 0.918 -4.180 -2.170) 4.798 34.943 ( 3.006 8.309 14.003) 16.557 35.360 ( -0.794 3.968 1.438) 4.295 36.385 ( -10.063 -5.710 23.167) 25.896 37.408 ( -10.802 -26.482 -18.794) 34.223 37.764 ( 4.901 2.645 2.746) 6.210 38.076 ( 20.912 -6.385 1.123) 21.893 38.157 ( 5.020 6.499 -1.925) 8.435 38.962 ( 30.863 -18.179 -0.698) 35.826 ======================= Grid point 233 (81/120) ======================= q-point: ( 0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.949 ( 18.825 20.238 20.185) 34.226 4.188 ( 22.876 31.634 17.216) 42.666 4.584 ( 5.387 4.744 -4.894) 8.688 5.093 ( 16.174 17.401 -23.665) 33.532 5.537 ( 4.473 0.620 5.677) 7.254 5.877 ( 0.497 -9.916 0.934) 9.972 6.260 ( 9.202 -19.792 15.970) 27.045 6.551 ( 21.376 11.038 19.510) 30.974 6.776 ( 4.002 1.486 3.095) 5.273 6.870 ( 8.486 -8.838 -1.626) 12.360 7.390 ( -0.180 6.884 -2.229) 7.238 7.445 ( -5.320 6.761 11.803) 14.606 7.703 ( -2.968 -13.412 -9.954) 16.963 8.060 ( 1.742 8.712 -11.299) 14.373 8.137 ( 4.293 0.202 1.864) 4.685 8.527 ( 2.990 -0.981 -4.850) 5.782 8.646 ( -5.779 -7.903 0.430) 9.800 8.715 ( -3.929 12.931 -9.283) 16.395 8.965 ( -6.841 -7.362 -8.910) 13.431 9.398 ( 0.415 6.844 -0.079) 6.858 9.510 ( 0.498 -17.312 -1.918) 17.425 9.708 ( 1.758 -1.418 -0.626) 2.343 9.778 ( -4.827 -4.008 -5.612) 8.418 9.896 ( 7.105 -2.713 -6.943) 10.298 10.058 ( -11.476 0.495 0.982) 11.528 10.322 ( -2.557 7.579 1.223) 8.092 10.557 ( -4.106 16.150 9.678) 19.270 10.710 ( -3.771 -2.923 5.776) 7.491 10.978 ( -8.363 -11.719 0.270) 14.400 11.145 ( 0.899 10.788 -0.211) 10.827 11.365 ( 0.802 -2.982 7.851) 8.436 11.719 ( 2.334 10.956 -11.195) 15.837 11.986 ( -1.483 -3.717 -5.626) 6.904 12.090 ( 5.279 -9.060 -0.690) 10.508 12.258 ( -0.338 -9.970 -3.925) 10.720 12.538 ( 4.540 -12.379 -7.051) 14.952 12.779 ( -7.065 7.880 2.801) 10.947 13.147 ( -8.355 -7.450 2.681) 11.510 13.523 ( -2.007 -6.079 2.869) 7.015 13.741 ( -2.421 -13.371 2.710) 13.856 14.326 ( -14.545 8.351 5.228) 17.568 14.834 ( -9.735 -6.292 4.318) 12.370 16.661 ( 7.458 3.581 3.208) 8.874 16.867 ( 4.325 -1.451 0.608) 4.602 17.187 ( 5.886 2.403 0.800) 6.408 17.376 ( 4.193 -1.997 -3.051) 5.557 19.048 ( -15.414 3.822 0.693) 15.896 19.085 ( -22.223 4.529 -0.179) 22.681 19.726 ( -9.213 2.666 -0.224) 9.594 19.761 ( -7.189 1.588 -1.387) 7.492 20.599 ( -1.488 22.883 4.272) 23.326 21.490 ( -8.050 10.276 -10.407) 16.694 22.044 ( -1.491 2.469 -5.100) 5.860 22.344 ( 0.988 0.838 -2.646) 2.946 26.538 ( 2.487 2.473 0.118) 3.509 26.597 ( 2.915 1.731 -0.618) 3.446 26.854 ( 1.475 -2.459 1.157) 3.092 26.932 ( 1.333 -4.469 -2.251) 5.178 35.031 ( 5.622 6.909 11.509) 14.553 35.356 ( 0.775 3.583 3.168) 4.845 36.183 ( -9.415 0.979 17.085) 19.532 37.112 ( -16.345 -19.991 -20.718) 33.106 37.937 ( 12.022 5.085 1.251) 13.113 38.341 ( 11.639 7.614 -0.428) 13.915 38.651 ( 32.360 -13.154 0.284) 34.932 39.571 ( 27.782 -24.132 0.288) 36.801 ======================= Grid point 234 (82/120) ======================= q-point: ( 0.27 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( 15.548 12.746 6.247) 21.053 4.614 ( 15.003 11.883 8.750) 21.044 4.793 ( 19.422 17.192 8.116) 27.178 5.400 ( 12.567 14.192 -14.348) 23.774 5.626 ( 6.279 3.692 2.242) 7.621 5.943 ( 7.154 -11.065 5.012) 14.097 6.460 ( 8.104 -23.599 7.283) 25.993 6.663 ( 0.557 -7.191 -0.531) 7.232 6.923 ( 2.781 -11.426 1.014) 11.803 7.206 ( -3.783 13.692 7.515) 16.071 7.358 ( 21.166 13.090 11.810) 27.546 7.412 ( 1.347 0.996 -4.369) 4.679 7.601 ( -9.053 -5.731 -0.460) 10.725 8.031 ( -1.200 5.920 2.331) 6.474 8.293 ( 3.124 14.103 -0.443) 14.452 8.414 ( -8.069 11.310 -0.215) 13.895 8.563 ( -3.809 1.400 2.480) 4.756 8.654 ( -2.382 5.202 -11.270) 12.639 8.943 ( 4.646 -12.868 -9.657) 16.746 9.331 ( -6.294 9.785 0.715) 11.656 9.497 ( -2.351 -10.978 -7.114) 13.291 9.633 ( -3.200 -6.091 -6.173) 9.244 9.782 ( 2.182 -0.687 -4.344) 4.910 9.880 ( -2.498 1.260 0.556) 2.852 10.138 ( 10.729 -7.756 -2.278) 13.434 10.302 ( 1.854 8.901 2.769) 9.505 10.484 ( -1.238 9.590 6.558) 11.684 10.613 ( -4.903 -3.653 1.708) 6.349 10.795 ( -9.237 -8.144 2.294) 12.526 11.157 ( 0.113 8.788 -0.616) 8.810 11.391 ( 1.444 -5.183 6.093) 8.128 11.719 ( -1.627 4.959 -6.936) 8.680 11.898 ( -6.403 -6.976 -4.674) 10.560 12.178 ( 4.658 -8.104 -2.736) 9.740 12.366 ( 7.731 -4.918 -2.466) 9.489 12.513 ( -5.495 -3.123 -5.956) 8.684 12.718 ( -1.323 0.787 3.350) 3.687 12.984 ( -7.907 -5.729 -0.260) 9.768 13.464 ( -3.760 -6.108 3.502) 7.982 13.668 ( -4.861 -15.160 2.642) 16.138 14.057 ( -10.707 5.103 5.336) 13.006 14.530 ( -19.102 -8.224 1.693) 20.866 16.823 ( 7.805 1.713 2.419) 8.349 16.959 ( 4.514 -1.432 -0.577) 4.770 17.294 ( 4.382 1.716 1.041) 4.820 17.443 ( 2.134 -1.513 -1.877) 3.220 18.674 ( -16.040 5.115 -0.309) 16.839 18.766 ( -13.017 1.865 0.500) 13.160 19.525 ( -9.607 3.079 0.008) 10.088 19.607 ( -8.062 0.838 -0.470) 8.119 20.616 ( 2.779 21.675 3.298) 22.100 21.320 ( -8.656 14.213 -6.879) 18.007 22.017 ( -0.723 0.025 -1.682) 1.831 22.330 ( -2.270 -0.220 -1.380) 2.665 26.590 ( 2.550 2.406 0.322) 3.520 26.647 ( 2.007 1.681 -0.774) 2.731 26.886 ( 1.607 -3.134 0.795) 3.610 26.956 ( 0.982 -4.697 -1.958) 5.183 35.161 ( 6.955 5.509 8.816) 12.508 35.402 ( 3.878 3.564 2.187) 5.703 36.013 ( -7.372 2.581 12.522) 14.758 36.780 ( -16.307 -15.319 -19.049) 29.385 38.219 ( 15.038 8.266 0.573) 17.169 38.573 ( 10.527 10.780 0.345) 15.072 39.301 ( 30.741 -17.713 0.843) 35.489 40.043 ( 18.562 -25.255 -0.498) 31.346 ======================= Grid point 235 (83/120) ======================= q-point: ( 0.36 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.544 ( 8.091 1.797 1.063) 8.356 4.798 ( 3.771 -2.991 7.726) 9.103 5.296 ( 26.949 23.542 9.130) 36.930 5.614 ( 13.031 7.833 5.933) 16.321 5.865 ( 13.461 7.561 -3.792) 15.898 6.139 ( 12.468 2.554 -4.589) 13.529 6.502 ( -0.887 -9.122 -2.240) 9.435 6.713 ( -4.506 -11.080 3.664) 12.510 6.866 ( -4.542 0.171 1.876) 4.917 7.081 ( -1.521 3.114 1.593) 3.814 7.300 ( -17.597 -3.029 2.113) 17.980 7.365 ( -7.352 0.401 -5.043) 8.924 7.702 ( 4.664 -0.777 7.300) 8.698 8.056 ( -5.306 -0.776 -5.130) 7.421 8.250 ( 10.839 19.235 8.910) 23.809 8.419 ( -2.090 8.279 2.874) 9.009 8.452 ( -2.793 9.762 2.059) 10.361 8.628 ( -1.655 7.521 -4.812) 9.081 9.031 ( 1.391 -4.318 -8.328) 9.483 9.194 ( -5.169 5.374 -0.583) 7.479 9.468 ( 1.726 -2.815 -8.809) 9.408 9.634 ( 0.742 -6.624 -5.657) 8.743 9.786 ( 1.746 -6.141 0.464) 6.401 9.945 ( 4.367 6.119 4.859) 8.951 10.228 ( -2.763 4.128 0.204) 4.972 10.356 ( 0.176 2.348 0.264) 2.370 10.585 ( 3.961 -5.631 -0.945) 6.949 10.588 ( 8.167 -4.135 2.222) 9.420 10.708 ( 7.423 -5.218 4.544) 10.148 11.157 ( 0.230 3.775 -1.768) 4.175 11.416 ( 1.080 -7.469 2.781) 8.043 11.671 ( -3.385 -2.751 -4.952) 6.599 11.790 ( -2.850 -5.452 -3.422) 7.039 12.230 ( -2.590 -11.229 -2.376) 11.766 12.368 ( -6.497 -0.314 -4.623) 7.980 12.478 ( 1.529 -2.329 -2.795) 3.946 12.669 ( -2.722 1.888 2.842) 4.364 12.831 ( -7.345 -2.366 1.829) 7.931 13.381 ( -4.023 -6.669 2.514) 8.184 13.544 ( -7.210 -13.049 0.763) 14.928 13.921 ( -3.175 0.633 4.210) 5.311 14.148 ( -16.154 -5.694 0.665) 17.141 16.957 ( 5.396 1.258 1.210) 5.671 17.036 ( 2.932 -0.441 -1.094) 3.160 17.360 ( 2.331 0.872 0.411) 2.523 17.459 ( -0.429 -1.104 -1.632) 2.017 18.448 ( -6.783 4.163 -0.035) 7.959 18.542 ( -8.964 1.235 0.720) 9.078 19.367 ( -5.598 2.189 0.455) 6.028 19.451 ( -6.979 -0.029 -0.014) 6.979 20.699 ( 5.265 21.082 2.384) 21.860 21.145 ( -8.598 17.932 -3.873) 20.260 22.026 ( 1.645 -2.728 -0.077) 3.187 22.262 ( -4.240 -1.871 -0.460) 4.657 26.637 ( 2.055 2.236 0.122) 3.039 26.677 ( 0.927 1.739 -0.823) 2.136 26.917 ( 1.430 -3.760 0.381) 4.041 26.968 ( 0.137 -4.735 -1.367) 4.930 35.301 ( 6.691 5.202 7.132) 11.077 35.498 ( 4.588 4.868 -0.402) 6.702 35.899 ( -2.953 -0.321 8.694) 9.187 36.460 ( -15.325 -11.698 -14.773) 24.289 38.509 ( 12.927 10.985 0.380) 16.969 38.742 ( 5.894 12.530 0.555) 13.858 39.851 ( 23.167 -19.402 1.082) 30.238 40.313 ( 8.222 -23.859 -0.675) 25.245 ======================= Grid point 236 (84/120) ======================= q-point: ( 0.45 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.681 ( 5.919 -4.727 5.724) 9.494 4.783 ( -3.832 -7.051 8.662) 11.808 5.812 ( 22.053 17.794 3.655) 28.571 5.933 ( 14.206 10.864 3.505) 18.224 6.049 ( 5.226 1.008 -4.463) 6.946 6.306 ( -9.823 18.864 -2.930) 21.469 6.500 ( 1.099 2.949 1.990) 3.723 6.584 ( 9.474 0.510 -5.786) 11.113 6.750 ( -10.670 3.235 7.328) 13.342 6.945 ( -14.334 1.416 -1.636) 14.496 7.085 ( 0.613 -5.721 2.702) 6.357 7.178 ( -8.234 -4.613 2.315) 9.718 7.783 ( 5.492 -5.468 -0.150) 7.752 7.914 ( -6.906 -3.817 -8.434) 11.549 8.342 ( -0.691 3.878 7.603) 8.563 8.387 ( -2.572 8.420 5.683) 10.478 8.510 ( 5.998 12.996 -0.365) 14.318 8.585 ( -1.932 12.579 -0.258) 12.730 9.038 ( 1.870 5.391 -5.107) 7.658 9.112 ( -4.367 -0.148 -5.369) 6.922 9.548 ( 4.488 -2.446 -8.467) 9.890 9.618 ( -2.311 -2.551 -7.722) 8.454 9.871 ( 5.920 -6.090 4.108) 9.434 9.979 ( -2.896 -0.580 8.087) 8.610 10.179 ( 1.202 5.560 0.582) 5.718 10.266 ( -5.979 0.023 -0.426) 5.995 10.680 ( 8.339 -2.740 7.302) 11.418 10.779 ( 1.963 -2.784 5.461) 6.436 10.997 ( 15.262 -7.311 -0.545) 16.931 11.166 ( -1.179 -3.666 -2.996) 4.879 11.451 ( 3.638 -6.206 -1.935) 7.449 11.570 ( -6.358 -7.520 -4.177) 10.697 11.822 ( 6.298 -3.981 -1.610) 7.623 12.029 ( -12.937 -6.638 -1.771) 14.648 12.322 ( 1.224 -6.409 -3.831) 7.566 12.422 ( -6.590 -5.852 -3.219) 9.382 12.645 ( 0.358 1.979 1.860) 2.739 12.692 ( -5.014 0.224 1.943) 5.382 13.335 ( 0.215 -6.954 0.138) 6.958 13.400 ( -6.018 -9.394 -0.894) 11.192 13.898 ( 0.402 0.020 3.641) 3.664 13.942 ( -4.799 -1.099 2.115) 5.358 17.040 ( 2.799 1.302 -0.034) 3.088 17.068 ( 0.088 0.760 -0.815) 1.117 17.398 ( 1.736 -0.021 -0.781) 1.903 17.434 ( -1.712 -0.678 -1.519) 2.387 18.377 ( -0.709 2.560 0.589) 2.721 18.411 ( -4.057 1.589 0.844) 4.438 19.305 ( -0.575 0.741 0.585) 1.106 19.339 ( -3.813 -0.126 0.354) 3.831 20.823 ( 6.964 20.721 0.926) 21.879 20.976 ( -8.069 19.940 -1.192) 21.544 22.082 ( 3.747 -3.806 0.336) 5.352 22.169 ( -4.701 -3.301 0.132) 5.746 26.671 ( 1.205 2.035 -0.278) 2.381 26.684 ( -0.160 1.864 -0.646) 1.980 26.943 ( 1.151 -4.256 -0.110) 4.410 26.962 ( -0.664 -4.582 -0.705) 4.683 35.428 ( 5.884 6.124 5.642) 10.195 35.523 ( -2.644 7.142 2.518) 8.021 35.946 ( 7.832 -5.914 -0.374) 9.821 36.169 ( -13.263 -8.772 -8.819) 18.183 38.718 ( 7.386 12.606 0.403) 14.616 38.798 ( -0.548 13.099 0.501) 13.120 40.219 ( 13.038 -20.489 0.651) 24.294 40.373 ( -2.319 -21.963 -0.121) 22.086 ======================= Grid point 242 (85/120) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.095 ( 0.000 19.822 20.533) 28.540 4.124 ( 0.000 22.140 13.800) 26.089 4.608 ( 0.000 0.172 14.517) 14.518 4.766 ( 0.000 -8.593 7.985) 11.731 5.499 ( 0.000 2.394 9.662) 9.954 5.662 ( 0.000 -10.779 -1.702) 10.913 6.021 ( 0.000 -1.085 -12.847) 12.893 6.259 ( 0.000 -19.455 -22.923) 30.066 6.781 ( 0.000 45.921 10.956) 47.210 6.849 ( 0.000 19.054 4.154) 19.501 7.387 ( 0.000 -14.279 -1.047) 14.317 7.602 ( 0.000 -1.839 7.527) 7.748 7.785 ( 0.000 7.495 7.291) 10.456 7.814 ( 0.000 -4.742 0.504) 4.769 8.011 ( 0.000 -11.873 10.815) 16.060 8.205 ( 0.000 -21.318 11.989) 24.458 8.353 ( 0.000 1.779 -21.010) 21.085 8.747 ( 0.000 -22.341 -18.146) 28.782 8.997 ( 0.000 8.067 -11.279) 13.867 9.139 ( 0.000 -5.002 -15.579) 16.362 9.518 ( 0.000 4.542 -3.890) 5.980 9.536 ( 0.000 2.785 -5.040) 5.759 9.970 ( 0.000 9.342 7.544) 12.007 10.156 ( 0.000 -5.615 3.433) 6.581 10.415 ( 0.000 4.459 -1.267) 4.636 10.452 ( 0.000 2.808 -0.145) 2.812 10.683 ( 0.000 1.204 2.507) 2.782 10.823 ( 0.000 -10.899 -1.481) 10.999 11.035 ( 0.000 11.180 16.396) 19.845 11.172 ( 0.000 -1.223 15.046) 15.095 11.480 ( 0.000 2.269 1.379) 2.655 11.535 ( 0.000 -2.957 -0.747) 3.050 11.839 ( 0.000 -2.471 -6.481) 6.936 11.884 ( 0.000 -5.349 -8.637) 10.159 12.217 ( 0.000 5.699 -13.686) 14.825 12.349 ( 0.000 -5.474 -16.116) 17.020 13.169 ( 0.000 2.036 10.282) 10.482 13.251 ( 0.000 -5.556 11.979) 13.205 13.517 ( 0.000 1.699 -5.714) 5.961 13.597 ( 0.000 -5.893 -1.716) 6.138 14.839 ( 0.000 1.229 7.067) 7.173 14.840 ( 0.000 1.407 5.112) 5.302 16.662 ( 0.000 5.285 6.311) 8.231 16.744 ( 0.000 -2.467 3.950) 4.657 17.093 ( 0.000 3.691 -3.023) 4.771 17.173 ( 0.000 -3.893 -5.325) 6.596 19.624 ( 0.000 2.199 -0.050) 2.200 19.627 ( 0.000 1.427 -0.304) 1.459 19.921 ( 0.000 0.610 0.003) 0.610 19.939 ( 0.000 -1.160 -0.906) 1.472 21.286 ( 0.000 21.879 10.464) 24.253 21.649 ( 0.000 -11.970 2.949) 12.328 22.132 ( 0.000 5.200 -19.766) 20.439 22.214 ( 0.000 -2.376 -13.214) 13.426 26.530 ( 0.000 1.143 -0.988) 1.511 26.531 ( 0.000 1.034 -0.850) 1.338 26.801 ( 0.000 -0.043 0.401) 0.403 26.827 ( 0.000 -2.547 -0.835) 2.681 35.113 ( 0.000 10.299 18.315) 21.012 35.316 ( 0.000 -8.229 16.133) 18.111 36.550 ( 0.000 13.637 -1.702) 13.743 36.957 ( 0.000 -23.907 -14.702) 28.066 37.783 ( 0.000 3.165 5.138) 6.035 37.844 ( 0.000 -2.682 4.184) 4.970 38.219 ( 0.000 3.672 -2.455) 4.417 38.337 ( 0.000 -7.397 -6.206) 9.656 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.09 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 7.182 21.806 18.430) 29.441 4.334 ( 15.959 14.220 12.357) 24.691 4.619 ( 1.713 5.652 13.157) 14.422 4.894 ( 11.979 -8.516 4.542) 15.384 5.523 ( 2.373 2.970 7.221) 8.161 5.653 ( -0.046 -12.499 4.200) 13.185 5.956 ( -4.657 2.018 -10.619) 11.769 6.243 ( -0.942 -20.351 -18.451) 27.486 6.889 ( 4.975 19.150 4.367) 20.262 6.958 ( 12.500 33.049 5.720) 35.794 7.372 ( -0.729 -9.405 -3.248) 9.977 7.597 ( 0.275 0.784 4.694) 4.766 7.755 ( -2.242 10.087 9.932) 14.332 7.911 ( 6.989 -4.710 5.240) 9.923 8.019 ( 2.406 -10.180 7.817) 13.058 8.231 ( 3.218 -22.691 10.667) 25.279 8.439 ( 7.473 2.756 -19.118) 20.711 8.776 ( 1.934 -16.417 -18.307) 24.666 8.990 ( -0.670 7.643 -11.664) 13.961 9.157 ( 1.435 -8.844 -14.858) 17.350 9.523 ( -0.219 5.502 0.482) 5.527 9.575 ( 3.458 0.610 -3.417) 4.899 9.886 ( -7.202 6.803 3.006) 10.353 10.028 ( -10.852 -4.683 0.435) 11.827 10.347 ( -6.320 7.085 -1.542) 9.618 10.450 ( -1.363 -0.029 0.576) 1.480 10.677 ( -0.951 0.326 2.230) 2.446 10.779 ( -4.021 -8.477 -0.316) 9.388 11.031 ( -0.540 11.142 14.803) 18.536 11.195 ( 1.987 -2.527 16.963) 17.265 11.468 ( 0.818 8.689 -0.123) 8.729 11.662 ( 9.707 -7.353 0.656) 12.196 11.845 ( 1.139 -1.512 -6.707) 6.969 11.903 ( 1.028 -6.830 -5.878) 9.070 12.182 ( -3.415 5.001 -15.185) 16.348 12.323 ( -2.151 -6.442 -16.492) 17.836 13.078 ( -7.573 3.992 7.573) 11.429 13.176 ( -6.648 -5.668 9.618) 12.994 13.499 ( -1.719 0.987 -2.027) 2.835 13.582 ( -1.772 -6.725 -1.207) 7.059 14.737 ( -7.764 6.349 6.020) 11.698 14.846 ( -2.962 -4.026 6.544) 8.234 16.671 ( 1.534 5.137 4.233) 6.831 16.758 ( 1.592 -3.133 3.107) 4.691 17.145 ( 4.653 3.850 -2.153) 6.411 17.224 ( 4.429 -3.620 -3.790) 6.862 19.440 ( -14.485 3.481 -0.068) 14.897 19.494 ( -14.529 -1.571 -0.258) 14.616 19.887 ( -3.374 1.360 -0.138) 3.640 19.905 ( -4.136 -0.346 -0.703) 4.209 21.186 ( -7.369 22.271 6.487) 24.339 21.561 ( -6.958 -13.015 1.513) 14.836 22.176 ( 2.812 6.753 -15.347) 17.001 22.274 ( 4.049 -2.618 -9.549) 10.698 26.544 ( 1.671 1.845 -0.640) 2.570 26.562 ( 2.379 0.297 -0.778) 2.521 26.807 ( 0.565 -0.075 0.253) 0.623 26.834 ( 0.671 -2.666 -1.058) 2.946 35.130 ( 1.775 9.560 17.278) 19.826 35.315 ( 0.087 -7.250 15.604) 17.207 36.486 ( -5.775 14.155 -2.664) 15.518 36.887 ( -7.064 -23.255 -15.091) 28.608 37.837 ( 6.831 4.343 2.585) 8.497 37.942 ( 10.616 -5.799 2.385) 12.330 38.353 ( 14.301 11.362 -2.228) 18.401 38.622 ( 22.193 -14.764 -1.734) 26.712 ======================= Grid point 244 (87/120) ======================= q-point: ( 0.18 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 11.883 17.066 12.685) 24.359 4.589 ( 4.644 -5.339 4.597) 8.438 4.801 ( 19.852 26.743 12.552) 35.593 5.205 ( 17.145 -9.541 1.973) 19.720 5.581 ( 3.229 1.888 3.632) 5.214 5.716 ( 7.563 -8.428 15.314) 19.046 5.901 ( 0.370 1.891 -6.861) 7.126 6.250 ( 2.261 -21.768 -13.759) 25.851 6.938 ( 0.342 11.146 -2.306) 11.388 7.179 ( 3.767 -2.995 -4.803) 6.799 7.456 ( 11.750 16.713 3.235) 20.685 7.595 ( -2.378 3.068 5.795) 6.975 7.714 ( -0.449 16.227 7.364) 17.825 8.018 ( 4.556 -1.630 13.069) 13.936 8.154 ( 8.981 -11.888 5.548) 15.898 8.376 ( 11.321 -15.349 5.512) 19.853 8.589 ( 5.106 6.231 -13.443) 15.672 8.788 ( -1.333 -6.765 -13.645) 15.288 8.972 ( -0.577 8.605 -12.152) 14.901 9.171 ( -0.672 -10.752 -9.894) 14.627 9.487 ( -3.157 4.645 3.825) 6.795 9.625 ( -1.616 -7.029 2.524) 7.641 9.756 ( -4.178 1.455 -6.762) 8.080 9.819 ( -5.175 -4.498 -6.531) 9.469 10.198 ( -7.212 11.282 -3.255) 13.780 10.387 ( -4.145 -3.793 -0.404) 5.633 10.630 ( -3.827 -1.154 1.730) 4.355 10.676 ( -5.882 -4.354 1.519) 7.475 11.001 ( -2.756 13.101 13.717) 19.167 11.224 ( 0.095 -6.023 16.622) 17.679 11.491 ( -0.001 15.011 -0.748) 15.030 11.812 ( -0.302 -12.990 0.079) 12.994 11.889 ( 2.051 1.056 -4.836) 5.358 11.938 ( 4.719 -4.960 -3.600) 7.735 12.121 ( 1.192 3.459 -15.644) 16.066 12.296 ( 0.412 -10.422 -15.286) 18.505 12.920 ( -7.259 5.609 4.686) 10.301 13.024 ( -7.505 -5.036 5.965) 10.829 13.452 ( -2.855 -0.168 1.103) 3.065 13.526 ( -3.549 -7.232 0.110) 8.056 14.512 ( -14.433 9.196 6.253) 18.220 14.690 ( -12.699 -7.835 6.090) 16.117 16.741 ( 5.390 3.998 1.938) 6.985 16.817 ( 4.295 -3.193 1.204) 5.485 17.252 ( 5.343 3.574 -0.672) 6.463 17.323 ( 4.778 -3.099 -1.841) 5.985 19.101 ( -17.870 1.729 0.093) 17.954 19.122 ( -19.901 -0.079 -0.502) 19.907 19.768 ( -8.488 1.374 -0.164) 8.600 19.780 ( -7.549 0.225 -0.338) 7.560 21.069 ( -3.504 21.241 3.164) 21.759 21.430 ( -5.334 -12.603 0.009) 13.685 22.193 ( -1.471 8.613 -8.681) 12.317 22.321 ( 0.091 -3.487 -5.499) 6.512 26.590 ( 2.593 2.253 -0.103) 3.437 26.617 ( 2.818 -0.104 -0.477) 2.860 26.823 ( 0.957 -0.234 -0.076) 0.989 26.852 ( 1.020 -2.929 -1.418) 3.410 35.186 ( 3.838 7.793 14.393) 16.811 35.331 ( 1.767 -5.293 13.403) 14.518 36.341 ( -8.209 13.681 -3.607) 16.357 36.695 ( -11.184 -19.566 -14.904) 27.019 38.070 ( 15.595 7.836 0.827) 17.473 38.260 ( 19.244 -10.256 0.510) 21.813 38.730 ( 21.616 15.107 -0.301) 26.374 39.106 ( 24.054 -20.715 0.244) 31.746 ======================= Grid point 245 (88/120) ======================= q-point: ( 0.27 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.536 ( 5.454 8.643 3.044) 10.664 4.661 ( 3.581 -2.872 5.039) 6.817 5.242 ( 21.755 20.055 9.005) 30.928 5.522 ( 14.824 -3.780 7.524) 17.048 5.697 ( 8.982 3.374 12.294) 15.595 5.958 ( 14.809 9.025 -1.174) 17.382 5.992 ( 9.204 -14.411 2.365) 17.262 6.344 ( 6.592 -19.283 -9.727) 22.582 6.923 ( -1.500 8.404 -4.529) 9.664 7.167 ( -2.821 -13.423 -9.061) 16.439 7.496 ( -6.365 10.302 5.016) 13.108 7.593 ( -2.411 2.295 0.903) 3.449 7.784 ( 4.797 16.159 7.351) 18.389 8.076 ( -1.132 -6.562 2.756) 7.206 8.388 ( 15.403 6.540 11.948) 20.562 8.584 ( -4.351 6.926 -2.854) 8.663 8.617 ( 9.908 -2.289 3.154) 10.647 8.718 ( -4.324 -6.368 -5.446) 9.429 8.948 ( -2.779 14.590 -7.582) 16.676 9.204 ( 5.817 -13.200 -4.949) 15.250 9.426 ( -3.295 0.334 -1.507) 3.638 9.487 ( -6.169 -6.383 -5.209) 10.292 9.739 ( 0.178 1.009 -6.325) 6.408 9.855 ( 4.076 -8.422 -2.587) 9.708 10.124 ( 2.066 10.157 -6.613) 12.295 10.337 ( 1.077 -6.507 -3.140) 7.305 10.529 ( -5.666 -1.274 2.118) 6.182 10.556 ( -5.360 -2.371 1.586) 6.071 10.911 ( -6.133 15.153 13.997) 21.521 11.178 ( -4.615 -9.002 13.811) 17.120 11.453 ( -2.552 12.014 -4.173) 12.971 11.707 ( -6.910 -11.009 -6.163) 14.385 11.857 ( -3.964 6.870 -5.989) 9.939 12.010 ( 1.380 -8.017 -3.013) 8.675 12.285 ( 9.758 -1.575 -6.157) 11.645 12.347 ( 3.704 -7.639 -9.369) 12.643 12.803 ( -4.289 4.897 3.312) 7.304 12.892 ( -5.545 -3.897 3.576) 7.663 13.385 ( -3.900 -0.858 1.484) 4.260 13.444 ( -4.601 -6.686 0.553) 8.135 14.195 ( -15.315 7.796 6.104) 18.237 14.362 ( -18.176 -8.183 4.841) 20.513 16.868 ( 6.583 2.517 0.701) 7.083 16.920 ( 5.396 -2.302 -0.296) 5.874 17.343 ( 3.445 2.813 0.109) 4.449 17.400 ( 2.646 -2.527 -0.888) 3.765 18.749 ( -15.259 2.393 -0.222) 15.447 18.778 ( -14.231 -0.491 -0.048) 14.240 19.579 ( -9.516 2.131 0.027) 9.751 19.609 ( -8.966 -0.677 -0.027) 8.991 21.045 ( 0.852 18.875 1.891) 18.989 21.351 ( -2.659 -9.275 -0.604) 9.667 22.130 ( -4.172 8.771 -3.899) 10.466 22.280 ( -3.786 -4.918 -2.727) 6.779 26.641 ( 2.439 2.302 0.210) 3.361 26.668 ( 2.228 0.007 -0.365) 2.258 26.843 ( 0.958 -0.596 -0.283) 1.163 26.872 ( 0.823 -3.147 -1.456) 3.563 35.284 ( 5.825 6.134 10.562) 13.532 35.394 ( 4.641 -3.769 9.401) 11.141 36.166 ( -8.964 11.735 -3.056) 15.080 36.456 ( -12.213 -15.559 -12.822) 23.572 38.422 ( 18.109 11.203 0.308) 21.297 38.643 ( 17.245 -7.214 0.379) 18.697 39.184 ( 22.521 9.648 0.201) 24.501 39.546 ( 18.866 -22.197 0.401) 29.133 ======================= Grid point 246 (89/120) ======================= q-point: ( 0.36 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.590 ( 1.246 3.420 4.649) 5.904 4.693 ( -0.913 -6.045 7.149) 9.407 5.652 ( 18.999 12.261 6.332) 23.481 5.846 ( 14.115 -2.934 1.783) 14.526 5.935 ( 16.141 14.959 12.408) 25.264 6.212 ( 14.212 -3.417 -4.759) 15.372 6.313 ( 17.861 -2.368 1.956) 18.123 6.469 ( 4.311 -11.731 -2.986) 12.849 6.874 ( -3.624 5.759 -1.893) 7.063 7.074 ( -6.738 -11.345 -5.993) 14.492 7.345 ( -9.081 10.818 2.180) 14.292 7.439 ( -12.196 2.043 -0.193) 12.367 7.769 ( -4.444 7.139 4.353) 9.469 7.965 ( -8.085 -8.411 -5.716) 12.991 8.466 ( -5.660 4.938 1.627) 7.685 8.573 ( -2.827 2.105 1.326) 3.766 8.715 ( 2.231 4.638 2.514) 5.728 8.741 ( 5.256 6.312 1.958) 8.444 8.993 ( 9.108 10.835 -2.930) 14.455 9.308 ( 0.210 -8.225 0.202) 8.231 9.394 ( 4.107 -2.726 -4.309) 6.548 9.436 ( 0.402 -3.820 -2.356) 4.506 9.712 ( -2.299 2.670 -8.346) 9.060 9.883 ( -2.096 -10.575 -1.761) 10.924 10.254 ( 6.009 6.216 -1.703) 8.811 10.413 ( -1.048 -6.591 2.215) 7.031 10.504 ( 8.693 -0.774 2.104) 8.977 10.521 ( 5.493 -2.135 -1.132) 6.001 10.796 ( -2.608 13.359 10.537) 17.213 11.071 ( -4.843 -11.440 8.140) 14.852 11.427 ( 0.290 7.483 -5.103) 9.061 11.591 ( -4.137 -6.929 -9.140) 12.193 11.775 ( -3.815 5.395 -2.312) 7.001 11.968 ( -5.074 -12.376 -2.521) 13.611 12.362 ( -2.797 0.473 -4.597) 5.402 12.405 ( -0.083 -3.612 -4.306) 5.621 12.732 ( -3.127 3.331 2.676) 5.295 12.789 ( -5.098 -2.167 2.713) 6.168 13.295 ( -4.347 -1.158 0.555) 4.533 13.344 ( -5.058 -5.998 -0.452) 7.859 13.965 ( -6.584 3.263 5.328) 9.077 14.046 ( -11.181 -4.417 4.045) 12.684 16.988 ( 5.053 1.623 -0.351) 5.319 17.019 ( 4.149 -1.231 -1.237) 4.501 17.389 ( 1.230 1.793 0.096) 2.176 17.428 ( 0.201 -1.801 -0.703) 1.944 18.516 ( -7.970 2.404 0.119) 8.326 18.547 ( -8.630 -0.667 0.369) 8.663 19.411 ( -6.698 1.908 0.229) 6.968 19.441 ( -7.171 -0.976 0.148) 7.239 21.092 ( 3.489 16.050 1.120) 16.463 21.308 ( -2.041 -2.927 -0.788) 3.654 22.052 ( -2.935 5.550 -0.873) 6.339 22.185 ( -5.279 -5.677 -0.846) 7.798 26.685 ( 1.815 2.096 0.113) 2.775 26.704 ( 1.307 0.508 -0.457) 1.475 26.860 ( 0.731 -1.220 -0.296) 1.453 26.883 ( 0.238 -3.130 -1.120) 3.333 35.416 ( 7.038 5.679 6.773) 11.299 35.515 ( 7.000 -3.069 4.223) 8.732 35.988 ( -8.399 8.678 -1.131) 12.129 36.211 ( -11.931 -12.040 -9.143) 19.258 38.758 ( 14.343 12.331 0.296) 18.918 38.920 ( 9.896 0.632 0.531) 9.930 39.601 ( 18.001 -0.421 0.248) 18.007 39.847 ( 10.664 -19.999 0.209) 22.665 ======================= Grid point 247 (90/120) ======================= q-point: ( 0.45 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( 1.355 -1.112 9.328) 9.491 4.652 ( -2.393 -4.738 10.393) 11.670 5.977 ( 11.112 4.200 -3.489) 12.381 6.033 ( 4.790 -1.467 -4.368) 6.646 6.283 ( 14.722 14.388 2.681) 20.759 6.458 ( -1.413 -2.685 -0.121) 3.037 6.562 ( 14.067 3.225 5.853) 15.573 6.669 ( 16.011 -0.188 2.233) 16.168 6.781 ( -4.699 5.430 4.639) 8.549 6.918 ( -6.077 -4.217 -0.329) 7.404 7.109 ( -13.745 4.501 1.021) 14.500 7.136 ( -15.183 0.606 0.909) 15.223 7.721 ( 1.214 0.373 -3.809) 4.016 7.809 ( -6.644 -6.231 -8.886) 12.725 8.403 ( 0.100 3.262 1.811) 3.732 8.466 ( -5.480 -1.212 1.858) 5.912 8.747 ( 2.076 8.097 -0.713) 8.389 8.786 ( -0.917 4.781 -0.765) 4.928 9.165 ( 6.186 9.612 -2.392) 11.678 9.259 ( -3.532 6.317 -0.292) 7.243 9.489 ( 3.598 -1.753 -2.977) 4.988 9.505 ( 3.236 -5.238 -3.811) 7.241 9.690 ( 1.507 -6.115 -4.553) 7.771 9.787 ( -6.384 -12.145 -2.460) 13.940 10.311 ( 2.305 5.724 3.487) 7.088 10.372 ( -3.039 1.769 3.600) 5.033 10.626 ( 5.069 -0.204 10.300) 11.482 10.686 ( 2.342 -4.776 9.554) 10.935 10.915 ( 10.496 0.730 -0.293) 10.526 11.021 ( -0.660 -8.247 0.555) 8.292 11.470 ( 3.708 5.442 -6.741) 9.424 11.535 ( -2.177 1.043 -9.297) 9.605 11.735 ( 1.180 -2.330 -0.454) 2.651 11.837 ( -7.145 -10.040 -1.578) 12.424 12.248 ( -4.930 -0.579 -3.948) 6.342 12.294 ( -8.216 -4.908 -3.893) 10.332 12.690 ( -0.702 1.746 2.143) 2.852 12.705 ( -2.418 0.242 2.173) 3.260 13.240 ( -0.851 -1.961 -0.486) 2.193 13.260 ( -2.754 -3.922 -0.931) 4.882 13.908 ( -0.326 0.744 4.393) 4.467 13.924 ( -2.226 -0.799 3.873) 4.538 17.064 ( 2.319 0.967 -1.200) 2.785 17.076 ( 1.247 -0.081 -1.550) 1.991 17.403 ( 0.519 0.508 -0.372) 0.816 17.418 ( -0.859 -0.830 -0.703) 1.386 18.417 ( -2.027 1.291 0.621) 2.482 18.429 ( -3.172 0.167 0.712) 3.255 19.322 ( -1.910 0.807 0.294) 2.094 19.335 ( -3.099 -0.385 0.249) 3.133 21.174 ( 4.361 11.984 0.309) 12.756 21.255 ( -3.404 5.325 -0.469) 6.337 22.029 ( 0.909 -0.169 0.463) 1.034 22.084 ( -4.243 -4.432 0.292) 6.143 26.713 ( 0.906 1.727 -0.208) 1.961 26.720 ( 0.212 1.172 -0.457) 1.276 26.873 ( 0.550 -2.047 -0.361) 2.151 26.882 ( -0.294 -2.763 -0.668) 2.858 35.560 ( 6.911 6.249 2.970) 9.779 35.636 ( 2.293 1.335 -0.298) 2.670 35.865 ( -1.156 0.514 0.779) 1.486 35.984 ( -10.081 -8.640 -4.298) 13.955 38.977 ( 7.062 10.828 0.399) 12.934 39.035 ( 1.405 6.961 0.501) 7.119 39.881 ( 9.279 -8.930 0.229) 12.880 39.966 ( 0.930 -15.349 0.169) 15.378 ======================= Grid point 297 (91/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 0.000 0.000 -42.498) 42.498 2.582 ( 0.000 0.000 42.498) 42.498 3.095 ( 0.000 0.000 -48.330) 48.330 3.095 ( 0.000 0.000 48.330) 48.330 4.928 ( 0.000 0.000 -60.689) 60.689 4.928 ( 0.000 0.000 60.689) 60.689 6.698 ( 0.000 0.000 -24.106) 24.106 6.698 ( 0.000 0.000 24.106) 24.106 7.325 ( 0.000 0.000 -6.159) 6.159 7.325 ( 0.000 0.000 6.159) 6.159 7.434 ( 0.000 0.000 -2.890) 2.890 7.434 ( 0.000 0.000 2.890) 2.890 8.375 ( 0.000 0.000 -17.709) 17.709 8.375 ( 0.000 0.000 17.709) 17.709 8.438 ( 0.000 0.000 -6.393) 6.393 8.438 ( 0.000 0.000 6.393) 6.393 8.968 ( 0.000 0.000 -10.131) 10.131 8.968 ( 0.000 0.000 10.131) 10.131 9.012 ( 0.000 0.000 -3.658) 3.658 9.012 ( 0.000 0.000 3.658) 3.658 9.472 ( 0.000 0.000 -5.368) 5.368 9.472 ( 0.000 0.000 5.368) 5.368 9.831 ( 0.000 0.000 -0.156) 0.156 9.831 ( 0.000 0.000 0.156) 0.156 9.857 ( 0.000 0.000 -0.851) 0.851 9.857 ( 0.000 0.000 0.851) 0.851 10.455 ( 0.000 0.000 -0.848) 0.848 10.455 ( 0.000 0.000 0.848) 0.848 11.609 ( 0.000 0.000 -5.208) 5.208 11.609 ( 0.000 0.000 5.208) 5.208 11.789 ( 0.000 0.000 -12.507) 12.507 11.789 ( 0.000 0.000 12.507) 12.507 12.322 ( 0.000 0.000 -2.461) 2.461 12.322 ( 0.000 0.000 2.461) 2.461 12.724 ( 0.000 0.000 -2.647) 2.647 12.724 ( 0.000 0.000 2.647) 2.647 13.056 ( 0.000 0.000 -10.990) 10.990 13.056 ( 0.000 0.000 10.990) 10.990 14.058 ( 0.000 0.000 -17.370) 17.370 14.058 ( 0.000 0.000 17.370) 17.370 14.724 ( 0.000 0.000 -25.498) 25.498 14.724 ( 0.000 0.000 25.498) 25.498 16.396 ( 0.000 0.000 -9.970) 9.970 16.396 ( 0.000 0.000 9.970) 9.970 17.227 ( 0.000 0.000 -10.592) 10.592 17.227 ( 0.000 0.000 10.592) 10.592 18.298 ( 0.000 0.000 -0.487) 0.487 18.298 ( 0.000 0.000 0.487) 0.487 20.104 ( 0.000 0.000 -2.117) 2.117 20.104 ( 0.000 0.000 2.117) 2.117 20.157 ( 0.000 0.000 -5.215) 5.215 20.157 ( 0.000 0.000 5.215) 5.215 22.174 ( 0.000 0.000 -0.054) 0.054 22.174 ( 0.000 0.000 0.054) 0.054 26.400 ( 0.000 0.000 -0.073) 0.073 26.400 ( 0.000 0.000 0.073) 0.073 27.000 ( 0.000 0.000 -4.248) 4.248 27.000 ( 0.000 0.000 4.248) 4.248 34.779 ( 0.000 0.000 -8.743) 8.743 34.779 ( 0.000 0.000 8.743) 8.743 37.735 ( 0.000 0.000 -6.625) 6.625 37.735 ( 0.000 0.000 6.625) 6.625 38.257 ( 0.000 0.000 -10.411) 10.411 38.257 ( 0.000 0.000 10.411) 10.411 39.107 ( 0.000 0.000 -2.882) 2.882 39.107 ( 0.000 0.000 2.882) 2.882 ======================= Grid point 299 (92/120) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 15.260 0.000 -38.453) 41.371 2.742 ( 15.260 0.000 38.453) 41.371 3.382 ( 24.846 0.000 -41.900) 48.713 3.382 ( 24.846 0.000 41.900) 48.713 5.131 ( 20.324 0.000 -53.256) 57.002 5.131 ( 20.324 0.000 53.256) 57.003 6.631 ( -5.752 0.000 -23.854) 24.538 6.631 ( -5.752 0.000 23.854) 24.538 7.239 ( -2.698 0.000 -6.316) 6.868 7.239 ( -2.698 0.000 6.316) 6.868 7.560 ( 5.398 0.000 -2.984) 6.168 7.560 ( 5.398 0.000 2.984) 6.168 8.369 ( 0.028 0.000 -19.420) 19.420 8.369 ( 0.028 0.000 19.420) 19.420 8.470 ( 0.646 0.000 -6.437) 6.469 8.470 ( 0.646 0.000 6.437) 6.469 8.752 ( -16.466 0.000 -0.991) 16.496 8.752 ( -16.466 0.000 0.991) 16.496 8.931 ( -4.674 0.000 -7.530) 8.863 8.931 ( -4.674 0.000 7.530) 8.863 9.629 ( 6.565 0.000 -1.070) 6.651 9.629 ( 6.565 0.000 1.070) 6.651 9.810 ( 0.603 0.000 -2.676) 2.743 9.810 ( 0.603 0.000 2.676) 2.743 9.828 ( -2.733 0.000 -0.000) 2.733 9.828 ( -2.733 0.000 0.000) 2.733 10.437 ( -2.354 0.000 -0.013) 2.354 10.437 ( -2.354 0.000 0.013) 2.354 11.470 ( -9.604 0.000 -0.014) 9.604 11.470 ( -9.604 0.000 0.014) 9.604 11.812 ( 0.892 0.000 -10.964) 11.001 11.812 ( 0.892 0.000 10.964) 11.001 12.251 ( -15.355 0.000 -2.478) 15.554 12.251 ( -15.355 0.000 2.478) 15.554 12.444 ( -1.253 0.000 -0.040) 1.254 12.444 ( -1.253 0.000 0.040) 1.254 13.308 ( 7.087 0.000 -17.566) 18.942 13.308 ( 7.087 0.000 17.566) 18.942 14.023 ( -2.627 0.000 -13.180) 13.439 14.023 ( -2.627 0.000 13.180) 13.439 14.822 ( 7.215 0.000 -24.827) 25.854 14.822 ( 7.215 0.000 24.827) 25.854 16.552 ( 13.920 0.000 -11.369) 17.972 16.552 ( 13.920 0.000 11.369) 17.972 17.267 ( 3.949 0.000 -10.169) 10.909 17.267 ( 3.949 0.000 10.169) 10.909 18.283 ( -1.307 0.000 -0.349) 1.352 18.283 ( -1.307 0.000 0.349) 1.352 19.929 ( -14.220 0.000 -3.399) 14.621 19.929 ( -14.220 0.000 3.399) 14.621 20.147 ( -2.565 0.000 -1.623) 3.036 20.147 ( -2.565 0.000 1.623) 3.036 22.180 ( 0.526 0.000 -0.008) 0.527 22.180 ( 0.526 0.000 0.008) 0.527 26.427 ( 2.451 0.000 -0.144) 2.455 26.427 ( 2.451 0.000 0.144) 2.455 27.016 ( 1.518 0.000 -4.115) 4.386 27.016 ( 1.518 0.000 4.115) 4.386 34.814 ( 3.440 0.000 -7.765) 8.493 34.814 ( 3.440 0.000 7.765) 8.493 37.731 ( -14.593 0.000 -12.879) 19.463 37.731 ( -14.593 0.000 12.879) 19.463 37.830 ( -12.822 0.000 -17.631) 21.800 37.830 ( -12.822 0.000 17.631) 21.800 39.607 ( 33.920 0.000 -13.821) 36.627 39.607 ( 33.920 0.000 13.821) 36.627 ======================= Grid point 301 (93/120) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 25.608 0.000 -30.180) 39.581 3.163 ( 25.608 0.000 30.180) 39.581 3.922 ( 25.879 0.000 -30.729) 40.175 3.922 ( 25.879 0.000 30.729) 40.175 5.690 ( 29.591 0.000 -31.431) 43.169 5.690 ( 29.591 0.000 31.431) 43.169 6.560 ( 3.067 0.000 -24.010) 24.205 6.560 ( 3.067 0.000 24.010) 24.205 7.209 ( -2.017 0.000 -8.475) 8.711 7.209 ( -2.017 0.000 8.475) 8.711 7.570 ( -4.898 0.000 -9.217) 10.438 7.570 ( -4.898 0.000 9.217) 10.438 8.268 ( -13.294 0.000 -4.123) 13.919 8.268 ( -13.294 0.000 4.123) 13.919 8.420 ( 1.374 0.000 -19.845) 19.893 8.420 ( 1.374 0.000 19.845) 19.893 8.575 ( -3.821 0.000 -0.063) 3.822 8.575 ( -3.821 0.000 0.063) 3.822 8.828 ( -4.806 0.000 -4.369) 6.495 8.828 ( -4.806 0.000 4.369) 6.495 9.570 ( -8.745 0.000 -5.183) 10.165 9.570 ( -8.745 0.000 5.183) 10.165 9.681 ( -10.884 0.000 -7.698) 13.331 9.681 ( -10.884 0.000 7.698) 13.331 9.961 ( 8.973 0.000 -4.477) 10.028 9.961 ( 8.973 0.000 4.477) 10.028 10.415 ( 3.473 0.000 -2.323) 4.179 10.415 ( 3.473 0.000 2.323) 4.179 11.341 ( -3.453 0.000 -6.846) 7.667 11.341 ( -3.453 0.000 6.846) 7.667 11.791 ( -3.154 0.000 -6.462) 7.191 11.791 ( -3.154 0.000 6.462) 7.191 12.011 ( -4.931 0.000 -8.062) 9.451 12.011 ( -4.931 0.000 8.062) 9.451 12.509 ( 3.679 0.000 -0.000) 3.679 12.509 ( 3.679 0.000 0.000) 3.679 13.263 ( -8.941 0.000 -19.511) 21.462 13.263 ( -8.941 0.000 19.511) 21.462 13.974 ( -2.275 0.000 -9.144) 9.423 13.974 ( -2.275 0.000 9.144) 9.423 14.904 ( -0.857 0.000 -20.955) 20.972 14.904 ( -0.857 0.000 20.955) 20.972 16.844 ( 12.332 0.000 -11.579) 16.916 16.844 ( 12.332 0.000 11.579) 16.916 17.374 ( 5.629 0.000 -8.493) 10.189 17.374 ( 5.629 0.000 8.493) 10.189 18.256 ( -1.026 0.000 -0.161) 1.039 18.256 ( -1.026 0.000 0.161) 1.039 19.619 ( -14.289 0.000 -0.937) 14.319 19.619 ( -14.289 0.000 0.937) 14.319 20.064 ( -5.289 0.000 -1.069) 5.396 20.064 ( -5.289 0.000 1.069) 5.396 22.194 ( 0.808 0.000 -0.016) 0.808 22.194 ( 0.808 0.000 0.016) 0.808 26.485 ( 2.961 0.000 -0.554) 3.012 26.485 ( 2.961 0.000 0.554) 3.012 27.056 ( 2.209 0.000 -3.699) 4.308 27.056 ( 2.209 0.000 3.699) 4.308 34.914 ( 6.296 0.000 -5.019) 8.052 34.914 ( 6.296 0.000 5.019) 8.052 37.188 ( -25.633 0.000 -33.395) 42.098 37.188 ( -25.633 0.000 33.395) 42.098 37.907 ( 7.279 0.000 -4.655) 8.640 37.907 ( 7.279 0.000 4.655) 8.640 40.244 ( 27.970 0.000 -21.307) 35.161 40.244 ( 27.970 0.000 21.307) 35.161 ======================= Grid point 303 (94/120) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( 30.696 0.000 -22.183) 37.873 3.739 ( 30.696 0.000 22.183) 37.873 4.397 ( 21.597 0.000 -17.375) 27.719 4.397 ( 21.597 0.000 17.375) 27.719 6.007 ( 2.868 0.000 -11.370) 11.726 6.007 ( 2.868 0.000 11.370) 11.726 6.837 ( 9.198 0.000 -7.712) 12.003 6.837 ( 9.198 0.000 7.712) 12.003 7.138 ( -4.249 0.000 -0.117) 4.251 7.138 ( -4.249 0.000 0.117) 4.251 7.415 ( -1.387 0.000 -22.213) 22.256 7.415 ( -1.387 0.000 22.213) 22.256 8.102 ( -2.211 0.000 -3.648) 4.266 8.102 ( -2.211 0.000 3.648) 4.266 8.378 ( -8.117 0.000 -10.203) 13.038 8.378 ( -8.117 0.000 10.203) 13.038 8.534 ( 2.456 0.000 -3.079) 3.939 8.534 ( 2.456 0.000 3.079) 3.939 8.752 ( -2.255 0.000 -9.805) 10.061 8.752 ( -2.255 0.000 9.805) 10.061 9.353 ( -11.441 0.000 -8.536) 14.274 9.353 ( -11.441 0.000 8.536) 14.274 9.457 ( -9.256 0.000 -6.556) 11.343 9.457 ( -9.256 0.000 6.556) 11.343 10.142 ( 9.524 0.000 -2.421) 9.827 10.142 ( 9.524 0.000 2.421) 9.827 10.606 ( 14.084 0.000 -4.566) 14.806 10.606 ( 14.084 0.000 4.566) 14.806 11.250 ( -6.685 0.000 -5.254) 8.502 11.250 ( -6.685 0.000 5.254) 8.502 11.772 ( 2.747 0.000 -3.447) 4.407 11.772 ( 2.747 0.000 3.447) 4.407 11.990 ( 0.788 0.000 -11.178) 11.206 11.990 ( 0.788 0.000 11.178) 11.206 12.543 ( -1.123 0.000 -0.749) 1.350 12.543 ( -1.123 0.000 0.749) 1.350 13.055 ( -9.392 0.000 -12.128) 15.340 13.055 ( -9.392 0.000 12.128) 15.340 13.927 ( -2.448 0.000 -7.565) 7.951 13.927 ( -2.448 0.000 7.565) 7.951 14.761 ( -13.372 0.000 -15.552) 20.511 14.761 ( -13.372 0.000 15.552) 20.511 17.011 ( 4.669 0.000 -7.564) 8.889 17.011 ( 4.669 0.000 7.564) 8.889 17.439 ( 0.311 0.000 -3.653) 3.667 17.439 ( 0.311 0.000 3.653) 3.667 18.251 ( 0.376 0.000 -0.212) 0.431 18.251 ( 0.376 0.000 0.212) 0.431 19.418 ( -5.059 0.000 -4.817) 6.986 19.418 ( -5.059 0.000 4.817) 6.986 19.949 ( -5.742 0.000 -0.576) 5.771 19.949 ( -5.742 0.000 0.576) 5.771 22.210 ( 0.776 0.000 -0.028) 0.777 22.210 ( 0.776 0.000 0.028) 0.777 26.540 ( 2.469 0.000 -0.813) 2.599 26.540 ( 2.469 0.000 0.813) 2.599 27.099 ( 1.936 0.000 -2.948) 3.528 27.099 ( 1.936 0.000 2.948) 3.528 35.060 ( 8.001 0.000 -1.024) 8.066 35.060 ( 8.001 0.000 1.024) 8.066 36.738 ( -19.161 0.000 -31.755) 37.088 36.738 ( -19.161 0.000 31.755) 37.088 38.070 ( 8.404 0.000 -2.496) 8.767 38.070 ( 8.404 0.000 2.496) 8.767 40.721 ( 19.438 0.000 -18.690) 26.966 40.721 ( 19.438 0.000 18.690) 26.966 ======================= Grid point 305 (95/120) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.363 ( 29.877 0.000 -14.342) 33.141 4.363 ( 29.877 0.000 14.342) 33.141 4.799 ( 18.116 0.000 -2.644) 18.308 4.799 ( 18.116 0.000 2.644) 18.308 6.016 ( 0.497 0.000 -7.227) 7.244 6.016 ( 0.497 0.000 7.227) 7.244 6.633 ( -20.515 0.000 -3.655) 20.838 6.633 ( -20.515 0.000 3.655) 20.838 6.864 ( -16.898 0.000 -7.279) 18.399 6.864 ( -16.898 0.000 7.279) 18.399 7.687 ( 12.310 0.000 -0.967) 12.348 7.687 ( 12.310 0.000 0.967) 12.348 7.965 ( -12.448 0.000 -0.874) 12.479 7.965 ( -12.448 0.000 0.874) 12.479 8.393 ( 9.119 0.000 -2.225) 9.386 8.393 ( 9.119 0.000 2.225) 9.386 8.595 ( 3.610 0.000 -0.150) 3.613 8.595 ( 3.610 0.000 0.150) 3.613 8.759 ( 2.426 0.000 -18.166) 18.328 8.759 ( 2.426 0.000 18.166) 18.328 9.166 ( -5.985 0.000 -8.771) 10.619 9.166 ( -5.985 0.000 8.771) 10.619 9.324 ( -4.130 0.000 -0.946) 4.237 9.324 ( -4.130 0.000 0.946) 4.237 10.355 ( 11.553 0.000 -0.066) 11.553 10.355 ( 11.553 0.000 0.066) 11.553 10.941 ( 16.738 0.000 -0.052) 16.738 10.941 ( 16.738 0.000 0.052) 16.738 11.098 ( -5.549 0.000 -1.797) 5.833 11.098 ( -5.549 0.000 1.797) 5.833 11.867 ( 4.958 0.000 -0.106) 4.959 11.867 ( 4.958 0.000 0.106) 4.959 12.008 ( 1.001 0.000 -10.693) 10.740 12.008 ( 1.001 0.000 10.693) 10.740 12.455 ( -6.540 0.000 -0.987) 6.614 12.455 ( -6.540 0.000 0.987) 6.614 12.932 ( -3.443 0.000 -3.884) 5.190 12.932 ( -3.443 0.000 3.884) 5.190 13.881 ( -1.921 0.000 -5.787) 6.098 13.881 ( -1.921 0.000 5.787) 6.098 14.390 ( -21.752 0.000 -9.564) 23.762 14.390 ( -21.752 0.000 9.564) 23.762 17.055 ( 0.268 0.000 -3.406) 3.416 17.055 ( 0.268 0.000 3.406) 3.416 17.416 ( -1.489 0.000 -0.744) 1.665 17.416 ( -1.489 0.000 0.744) 1.665 18.259 ( 0.227 0.000 -0.045) 0.232 18.259 ( 0.227 0.000 0.045) 0.232 19.390 ( 1.050 0.000 -6.498) 6.582 19.390 ( 1.050 0.000 6.498) 6.582 19.845 ( -4.353 0.000 -0.191) 4.357 19.845 ( -4.353 0.000 0.191) 4.357 22.224 ( 0.532 0.000 -0.029) 0.533 22.224 ( 0.532 0.000 0.029) 0.533 26.582 ( 1.644 0.000 -0.666) 1.774 26.582 ( 1.644 0.000 0.666) 1.774 27.131 ( 1.186 0.000 -1.886) 2.228 27.131 ( 1.186 0.000 1.886) 2.228 35.224 ( 7.773 0.000 -1.938) 8.011 35.224 ( 7.773 0.000 1.938) 8.011 36.410 ( -13.295 0.000 -23.434) 26.943 36.410 ( -13.295 0.000 23.434) 26.943 38.225 ( 6.570 0.000 -1.177) 6.675 38.225 ( 6.570 0.000 1.177) 6.675 41.032 ( 11.432 0.000 -11.894) 16.497 41.032 ( 11.432 0.000 11.894) 16.497 ======================= Grid point 307 (96/120) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.846 ( 14.022 0.000 -3.091) 14.359 4.846 ( 14.022 0.000 3.091) 14.359 5.118 ( 12.529 0.000 -5.316) 13.610 5.118 ( 12.529 0.000 5.316) 13.610 6.053 ( 1.925 0.000 -3.011) 3.573 6.053 ( 1.925 0.000 3.011) 3.573 6.209 ( -15.921 0.000 -5.146) 16.732 6.209 ( -15.921 0.000 5.146) 16.732 6.578 ( -9.681 0.000 -4.288) 10.588 6.578 ( -9.681 0.000 4.288) 10.588 7.735 ( -4.791 0.000 -1.999) 5.191 7.735 ( -4.791 0.000 1.999) 5.191 7.841 ( 1.317 0.000 -0.226) 1.336 7.841 ( 1.317 0.000 0.226) 1.336 8.519 ( 4.644 0.000 -12.151) 13.008 8.519 ( 4.644 0.000 12.151) 13.008 8.614 ( -3.550 0.000 -9.122) 9.789 8.614 ( -3.550 0.000 9.122) 9.789 8.840 ( 4.393 0.000 -8.999) 10.014 8.840 ( 4.393 0.000 8.999) 10.014 9.103 ( -1.800 0.000 -3.108) 3.591 9.103 ( -1.800 0.000 3.108) 3.591 9.295 ( 0.687 0.000 -3.792) 3.853 9.295 ( 0.687 0.000 3.792) 3.853 10.578 ( 8.960 0.000 -1.274) 9.050 10.578 ( 8.960 0.000 1.274) 9.050 10.898 ( -7.126 0.000 -0.050) 7.126 10.898 ( -7.126 0.000 0.050) 7.126 11.372 ( 15.638 0.000 -0.335) 15.642 11.372 ( 15.638 0.000 0.335) 15.642 11.898 ( -1.938 0.000 -0.299) 1.961 11.898 ( -1.938 0.000 0.299) 1.961 12.055 ( 3.074 0.000 -4.261) 5.254 12.055 ( 3.074 0.000 4.261) 5.254 12.340 ( -3.690 0.000 -0.564) 3.733 12.340 ( -3.690 0.000 0.564) 3.733 12.870 ( -2.758 0.000 -1.117) 2.976 12.870 ( -2.758 0.000 1.117) 2.976 13.861 ( 0.441 0.000 -3.533) 3.560 13.861 ( 0.441 0.000 3.533) 3.560 13.999 ( -13.456 0.000 -1.541) 13.544 13.999 ( -13.456 0.000 1.541) 13.544 17.048 ( -0.462 0.000 -0.789) 0.914 17.048 ( -0.462 0.000 0.789) 0.914 17.398 ( -0.362 0.000 -0.202) 0.415 17.398 ( -0.362 0.000 0.202) 0.415 18.260 ( -0.008 0.000 -0.001) 0.008 18.260 ( -0.008 0.000 0.001) 0.008 19.418 ( 1.009 0.000 -2.742) 2.922 19.418 ( 1.009 0.000 2.742) 2.922 19.783 ( -1.624 0.000 -0.028) 1.625 19.783 ( -1.624 0.000 0.028) 1.625 22.231 ( 0.187 0.000 -0.013) 0.187 22.231 ( 0.187 0.000 0.013) 0.187 26.605 ( 0.583 0.000 -0.250) 0.634 26.605 ( 0.583 0.000 0.250) 0.634 27.146 ( 0.383 0.000 -0.645) 0.750 27.146 ( 0.383 0.000 0.645) 0.750 35.348 ( 3.770 0.000 -2.024) 4.279 35.348 ( 3.770 0.000 2.024) 4.279 36.215 ( -5.410 0.000 -9.346) 10.798 36.215 ( -5.410 0.000 9.346) 10.798 38.319 ( 2.470 0.000 -0.342) 2.493 38.319 ( 2.470 0.000 0.342) 2.493 41.185 ( 3.782 0.000 -4.015) 5.516 41.185 ( 3.782 0.000 4.015) 5.516 ======================= Grid point 319 (97/120) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.000 27.151 -35.793) 44.926 2.895 ( 0.000 27.151 35.793) 44.926 3.238 ( 0.000 13.579 -44.809) 46.821 3.238 ( 0.000 13.579 44.809) 46.821 5.010 ( 0.000 8.685 -53.668) 54.366 5.010 ( 0.000 8.685 53.668) 54.366 6.680 ( 0.000 -2.308 -19.757) 19.891 6.680 ( 0.000 -2.308 19.757) 19.891 7.207 ( 0.000 -13.079 -9.573) 16.208 7.207 ( 0.000 -13.079 9.573) 16.208 7.460 ( 0.000 3.562 -0.318) 3.577 7.460 ( 0.000 3.562 0.318) 3.577 8.200 ( 0.000 -14.155 -10.962) 17.903 8.200 ( 0.000 -14.155 10.962) 17.903 8.377 ( 0.000 -4.359 -4.347) 6.156 8.377 ( 0.000 -4.359 4.347) 6.156 8.824 ( 0.000 -1.511 -3.267) 3.599 8.824 ( 0.000 -1.511 3.267) 3.599 9.277 ( 0.000 8.900 -4.072) 9.787 9.277 ( 0.000 8.900 4.072) 9.787 9.367 ( 0.000 -6.754 -6.056) 9.071 9.367 ( 0.000 -6.754 6.056) 9.071 9.931 ( 0.000 12.245 -5.397) 13.381 9.931 ( 0.000 12.245 5.397) 13.381 10.065 ( 0.000 14.893 -1.412) 14.959 10.065 ( 0.000 14.893 1.412) 14.959 10.405 ( 0.000 -5.995 -2.749) 6.595 10.405 ( 0.000 -5.995 2.749) 6.595 11.443 ( 0.000 -10.774 -4.172) 11.553 11.443 ( 0.000 -10.774 4.172) 11.553 11.759 ( 0.000 -5.991 -9.555) 11.278 11.759 ( 0.000 -5.991 9.555) 11.278 12.286 ( 0.000 -4.003 -3.775) 5.502 12.286 ( 0.000 -4.003 3.775) 5.502 12.532 ( 0.000 -11.811 -0.083) 11.812 12.532 ( 0.000 -11.811 0.083) 11.812 13.175 ( 0.000 6.522 -6.473) 9.189 13.175 ( 0.000 6.522 6.473) 9.189 14.020 ( 0.000 -4.153 -15.075) 15.637 14.020 ( 0.000 -4.153 15.075) 15.637 14.717 ( 0.000 0.314 -18.121) 18.124 14.717 ( 0.000 0.314 18.121) 18.124 16.448 ( 0.000 4.495 -8.977) 10.040 16.448 ( 0.000 4.495 8.977) 10.040 17.197 ( 0.000 -2.124 -9.230) 9.471 17.197 ( 0.000 -2.124 9.230) 9.471 18.667 ( 0.000 29.804 -7.707) 30.785 18.667 ( 0.000 29.804 7.707) 30.785 20.021 ( 0.000 -4.022 -2.281) 4.624 20.021 ( 0.000 -4.022 2.281) 4.624 20.309 ( 0.000 11.433 -2.742) 11.757 20.309 ( 0.000 11.433 2.742) 11.757 22.177 ( 0.000 0.068 -0.264) 0.272 22.177 ( 0.000 0.068 0.264) 0.272 26.412 ( 0.000 1.181 -0.001) 1.181 26.412 ( 0.000 1.181 0.001) 1.181 26.978 ( 0.000 -2.093 -4.000) 4.515 26.978 ( 0.000 -2.093 4.000) 4.515 34.834 ( 0.000 5.293 -9.683) 11.035 34.834 ( 0.000 5.293 9.683) 11.035 37.745 ( 0.000 0.903 -6.243) 6.308 37.745 ( 0.000 0.903 6.243) 6.308 38.130 ( 0.000 -13.679 -0.473) 13.687 38.130 ( 0.000 -13.679 0.473) 13.687 38.865 ( 0.000 -18.953 -0.038) 18.953 38.865 ( 0.000 -18.953 0.038) 18.953 ======================= Grid point 321 (98/120) ======================= q-point: ( 0.09 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 11.588 23.142 -0.000) 25.881 3.053 ( 13.344 25.624 0.000) 28.891 3.457 ( 22.028 9.141 -0.000) 23.850 3.542 ( 22.869 13.127 0.000) 26.368 5.210 ( 17.432 7.919 -0.000) 19.147 5.221 ( 22.672 9.040 0.000) 24.408 6.552 ( -6.235 -3.914 -0.000) 7.362 6.690 ( -2.698 1.182 0.000) 2.946 7.055 ( -3.888 -8.190 0.000) 9.066 7.284 ( -0.994 -9.405 0.000) 9.457 7.521 ( 6.782 3.168 0.000) 7.485 7.621 ( 8.981 -1.313 0.000) 9.076 8.091 ( -6.233 -18.740 0.000) 19.750 8.154 ( -3.561 -14.320 0.000) 14.756 8.357 ( -8.724 -7.306 0.000) 11.379 8.405 ( 1.281 -2.939 0.000) 3.206 8.579 ( -11.364 -5.288 0.000) 12.534 8.881 ( -4.172 8.270 0.000) 9.262 9.152 ( -9.016 8.693 0.000) 12.524 9.160 ( -0.309 8.046 -0.000) 8.051 9.354 ( 2.406 -9.719 0.000) 10.012 9.707 ( 15.236 -2.693 0.000) 15.472 9.842 ( -5.433 9.751 0.000) 11.163 9.948 ( -6.094 13.194 0.000) 14.534 9.975 ( 0.639 10.167 0.000) 10.187 10.083 ( -2.993 17.448 0.000) 17.703 10.341 ( -3.085 -6.662 0.000) 7.341 10.428 ( -1.074 -4.336 0.000) 4.467 11.334 ( -6.342 -8.941 0.000) 10.962 11.389 ( -5.537 -5.712 0.000) 7.955 11.745 ( -1.523 -6.356 0.000) 6.536 11.796 ( 2.756 -7.760 -0.000) 8.235 12.033 ( -19.097 -9.014 0.000) 21.118 12.267 ( 0.552 -1.788 0.000) 1.871 12.401 ( 5.048 -0.948 0.000) 5.137 12.640 ( -15.738 10.269 0.000) 18.791 13.043 ( 11.251 -15.517 0.000) 19.167 13.434 ( 1.465 2.989 0.000) 3.328 13.902 ( -3.554 -7.052 0.000) 7.897 14.100 ( 0.403 1.564 -0.000) 1.615 14.602 ( -1.185 -10.208 0.000) 10.277 14.933 ( 8.832 2.641 0.000) 9.218 16.484 ( 8.885 -0.845 0.000) 8.925 16.640 ( 12.136 3.880 0.000) 12.741 17.199 ( 2.149 -3.861 0.000) 4.418 17.263 ( 4.546 -0.890 -0.000) 4.632 18.633 ( -2.320 26.548 -0.000) 26.649 18.640 ( -3.915 29.379 0.000) 29.639 19.880 ( -10.435 -1.718 -0.000) 10.575 19.922 ( -15.093 -3.549 0.000) 15.505 20.113 ( -4.145 5.361 0.000) 6.776 20.405 ( -0.939 17.355 0.000) 17.381 22.151 ( -0.821 -1.617 0.000) 1.813 22.213 ( 1.789 1.719 0.000) 2.481 26.427 ( 1.970 0.603 0.000) 2.060 26.451 ( 2.813 1.617 0.000) 3.244 26.988 ( 1.199 -2.352 -0.000) 2.640 26.997 ( 1.664 -2.024 0.000) 2.620 34.854 ( 2.541 4.392 -0.000) 5.074 34.879 ( 3.715 5.573 0.000) 6.698 37.522 ( -25.298 -13.851 0.000) 28.842 37.771 ( 1.115 -1.540 0.000) 1.901 37.838 ( 3.025 4.841 -0.000) 5.709 37.859 ( -33.309 -2.716 0.000) 33.420 39.012 ( 35.250 -35.928 0.000) 50.333 39.683 ( 38.405 -8.758 0.000) 39.390 ======================= Grid point 323 (99/120) ======================= q-point: ( 0.18 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( 22.923 17.346 -0.000) 28.747 3.420 ( 22.524 22.139 0.000) 31.583 3.979 ( 26.727 6.425 -0.000) 27.489 4.014 ( 22.474 7.945 0.000) 23.837 5.596 ( 15.725 -1.784 -0.000) 15.826 5.873 ( 37.378 9.239 0.000) 38.503 6.573 ( 12.334 2.999 -0.000) 12.693 6.616 ( -3.227 4.016 0.000) 5.151 7.039 ( 1.443 -5.494 0.000) 5.680 7.228 ( -4.013 -6.629 0.000) 7.749 7.565 ( -3.103 2.146 0.000) 3.773 7.767 ( 4.721 2.081 0.000) 5.160 7.996 ( -19.575 -9.528 0.000) 21.770 8.027 ( -0.288 -17.399 0.000) 17.401 8.133 ( -2.072 -17.866 -0.000) 17.986 8.203 ( -15.271 -10.000 0.000) 18.254 8.582 ( 5.427 0.189 0.000) 5.430 8.771 ( -6.459 10.565 0.000) 12.383 8.937 ( -11.190 7.141 -0.000) 13.274 9.204 ( 2.374 16.257 0.000) 16.429 9.369 ( -2.153 -10.747 0.000) 10.960 9.701 ( -7.413 5.997 0.000) 9.535 9.751 ( -8.655 11.480 0.000) 14.377 9.840 ( -19.332 9.771 -0.000) 21.661 9.993 ( 1.197 3.856 0.000) 4.037 10.028 ( 10.335 3.607 0.000) 10.947 10.335 ( 4.912 -5.091 0.000) 7.075 10.452 ( 5.237 2.354 0.000) 5.742 11.237 ( -3.839 -7.182 0.000) 8.144 11.316 ( -1.638 -2.079 0.000) 2.646 11.671 ( -10.833 -15.315 0.000) 18.759 11.732 ( 1.350 -3.347 0.000) 3.609 11.923 ( 3.528 2.913 0.000) 4.575 12.240 ( -4.356 9.154 0.000) 10.137 12.455 ( -1.023 -2.830 0.000) 3.010 12.494 ( 3.516 -2.371 0.000) 4.241 13.136 ( -2.821 -9.034 -0.000) 9.464 13.287 ( -12.208 -0.873 0.000) 12.239 13.869 ( -1.208 -6.401 0.000) 6.514 14.049 ( -4.080 3.548 0.000) 5.407 14.615 ( 0.002 -18.102 0.000) 18.102 14.984 ( -4.350 0.201 0.000) 4.355 16.738 ( 13.463 -5.395 -0.000) 14.504 16.866 ( 9.066 0.078 0.000) 9.066 17.277 ( 4.954 -5.060 0.000) 7.081 17.367 ( 5.229 -0.982 0.000) 5.320 18.497 ( -9.711 21.195 0.000) 23.314 18.580 ( -3.114 20.951 0.000) 21.181 19.624 ( -11.394 1.076 0.000) 11.445 19.630 ( -13.059 1.082 0.000) 13.103 20.047 ( -3.328 3.974 0.000) 5.184 20.320 ( -6.089 19.656 0.000) 20.577 22.144 ( 0.145 -2.731 0.000) 2.734 22.244 ( 1.176 2.536 0.000) 2.795 26.479 ( 2.877 0.321 0.000) 2.895 26.512 ( 2.950 1.701 0.000) 3.405 27.021 ( 1.915 -2.721 0.000) 3.327 27.039 ( 2.308 -2.044 0.000) 3.083 34.935 ( 5.390 3.174 0.000) 6.255 34.981 ( 6.283 5.267 0.000) 8.199 37.053 ( -20.740 -9.002 -0.000) 22.610 37.187 ( -28.699 -4.160 0.000) 28.999 37.868 ( 7.354 -0.670 0.000) 7.384 37.995 ( 8.627 5.604 -0.000) 10.287 39.729 ( 33.738 -30.782 0.000) 45.670 40.344 ( 26.871 -6.369 0.000) 27.615 ======================= Grid point 325 (100/120) ======================= q-point: ( 0.27 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.864 ( 27.591 11.352 -0.000) 29.835 3.935 ( 27.879 17.808 0.000) 33.081 4.442 ( 20.066 4.940 -0.000) 20.666 4.486 ( 23.754 7.859 0.000) 25.021 5.748 ( 2.208 -9.144 0.000) 9.407 6.321 ( 0.558 12.165 0.000) 12.178 6.697 ( 9.006 -11.839 0.000) 14.875 6.817 ( -2.291 1.255 0.000) 2.612 7.146 ( -6.957 9.842 -0.000) 12.053 7.280 ( 28.572 4.147 -0.000) 28.872 7.495 ( -24.619 5.821 0.000) 25.298 7.513 ( 5.734 2.258 -0.000) 6.163 7.908 ( 6.971 -13.477 0.000) 15.173 7.911 ( -11.987 -14.820 0.000) 19.061 8.056 ( 2.658 -12.771 0.000) 13.044 8.152 ( 2.374 -17.751 0.000) 17.909 8.541 ( -10.747 -2.309 -0.000) 10.992 8.601 ( -11.154 11.403 0.000) 15.952 8.875 ( 7.198 6.076 0.000) 9.420 9.189 ( -5.401 22.432 0.000) 23.073 9.264 ( -7.079 -6.388 0.000) 9.536 9.473 ( -11.101 3.550 0.000) 11.655 9.519 ( -10.204 9.956 0.000) 14.257 9.593 ( -6.398 13.554 0.000) 14.988 10.074 ( 6.436 -3.123 0.000) 7.154 10.215 ( 9.559 2.874 0.000) 9.982 10.555 ( 15.377 -4.247 -0.000) 15.953 10.610 ( 9.662 0.147 0.000) 9.663 11.150 ( -4.831 -5.980 0.000) 7.688 11.227 ( -8.482 -4.403 -0.000) 9.557 11.591 ( 3.316 -10.441 0.000) 10.955 11.810 ( 5.766 -0.507 0.000) 5.788 11.979 ( 1.300 1.070 0.000) 1.684 12.155 ( -3.229 9.839 0.000) 10.355 12.482 ( 1.181 -5.708 0.000) 5.829 12.521 ( -1.261 -2.277 0.000) 2.603 12.990 ( -9.377 -4.350 -0.000) 10.337 13.056 ( -8.931 -1.397 0.000) 9.040 13.832 ( -2.377 -6.247 -0.000) 6.684 13.971 ( -3.345 1.714 0.000) 3.759 14.528 ( -9.540 -17.173 0.000) 19.645 14.765 ( -16.909 -3.391 0.000) 17.246 16.947 ( 6.679 -4.549 -0.000) 8.081 16.997 ( 4.328 -1.414 0.000) 4.553 17.360 ( 2.550 -4.039 0.000) 4.777 17.442 ( 1.549 -0.710 0.000) 1.704 18.315 ( -6.496 9.584 0.000) 11.578 18.497 ( -5.168 13.506 0.000) 14.461 19.417 ( -7.005 1.296 0.000) 7.124 19.478 ( -4.027 3.881 0.000) 5.593 19.984 ( -2.548 7.472 0.000) 7.894 20.194 ( -5.980 19.838 0.000) 20.720 22.155 ( 0.884 -3.141 0.000) 3.263 22.258 ( 0.251 2.283 0.000) 2.296 26.535 ( 2.599 0.314 0.000) 2.618 26.565 ( 2.237 1.531 0.000) 2.711 27.060 ( 1.832 -2.999 0.000) 3.514 27.083 ( 1.902 -2.100 -0.000) 2.833 35.065 ( 7.353 2.006 0.000) 7.622 35.125 ( 7.748 4.649 0.000) 9.036 36.680 ( -16.408 -4.875 0.000) 17.117 36.698 ( -20.216 -4.454 -0.000) 20.701 38.044 ( 9.545 0.633 0.000) 9.566 38.172 ( 8.442 6.737 -0.000) 10.800 40.334 ( 25.921 -24.356 -0.000) 35.569 40.777 ( 16.480 -6.209 0.000) 17.611 ======================= Grid point 327 (101/120) ======================= q-point: ( 0.36 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.405 ( 24.789 3.943 0.000) 25.100 4.515 ( 28.547 13.894 -0.000) 31.749 4.812 ( 16.033 3.054 0.000) 16.321 4.953 ( 22.514 12.523 0.000) 25.763 5.791 ( 3.317 -8.077 0.000) 8.731 6.222 ( -6.407 4.814 0.000) 8.014 6.600 ( -15.896 1.733 0.000) 15.990 6.680 ( -7.354 -5.362 0.000) 9.102 6.836 ( -21.134 11.532 0.000) 24.076 7.004 ( -22.150 4.968 -0.000) 22.701 7.662 ( -1.816 -12.110 0.000) 12.246 7.767 ( 10.396 3.365 -0.000) 10.927 7.786 ( 1.503 3.801 0.000) 4.088 8.041 ( 4.279 -8.996 0.000) 9.961 8.216 ( 11.281 -13.608 0.000) 17.676 8.233 ( 2.597 -15.001 -0.000) 15.224 8.345 ( -7.553 6.347 -0.000) 9.865 8.362 ( -3.352 -7.547 0.000) 8.258 9.060 ( 8.789 6.162 -0.000) 10.734 9.101 ( -2.175 11.712 0.000) 11.912 9.170 ( 1.750 0.167 0.000) 1.757 9.320 ( -8.826 15.071 0.000) 17.465 9.376 ( -2.454 12.313 0.000) 12.556 9.486 ( -4.337 13.264 0.000) 13.956 10.245 ( 10.411 -6.591 0.000) 12.322 10.431 ( 11.328 2.972 0.000) 11.712 10.835 ( 11.744 -7.574 0.000) 13.975 10.889 ( 10.544 -7.258 -0.000) 12.800 11.063 ( -2.080 -1.622 -0.000) 2.638 11.066 ( 0.485 -3.698 0.000) 3.730 11.714 ( 6.956 -7.580 0.000) 10.288 11.929 ( 4.932 -0.737 0.000) 4.987 11.972 ( -1.501 -2.811 0.000) 3.186 12.104 ( -2.133 6.632 0.000) 6.967 12.444 ( -4.973 -1.657 -0.000) 5.242 12.457 ( -4.049 0.804 0.000) 4.129 12.846 ( -3.999 -5.508 -0.000) 6.806 12.938 ( -4.072 -1.483 0.000) 4.334 13.780 ( -2.601 -6.915 -0.000) 7.388 13.914 ( -2.357 0.646 0.000) 2.444 14.236 ( -18.172 -12.802 0.000) 22.229 14.349 ( -22.126 -4.636 0.000) 22.606 17.021 ( 1.505 -2.244 -0.000) 2.702 17.050 ( 1.088 -0.748 0.000) 1.320 17.382 ( 0.219 -1.625 -0.000) 1.640 17.436 ( -1.308 0.646 0.000) 1.458 18.254 ( -0.368 3.102 0.000) 3.124 18.389 ( -4.931 6.965 0.000) 8.534 19.346 ( -0.773 -1.365 0.000) 1.568 19.423 ( -2.074 1.002 0.000) 2.303 19.955 ( -0.312 12.562 0.000) 12.566 20.088 ( -4.485 19.727 0.000) 20.231 22.178 ( 1.348 -2.786 0.000) 3.095 22.254 ( -0.625 1.200 0.000) 1.353 26.581 ( 1.891 0.432 0.000) 1.939 26.601 ( 1.306 1.227 -0.000) 1.792 27.092 ( 1.346 -3.051 0.000) 3.334 27.112 ( 0.944 -2.262 -0.000) 2.451 35.221 ( 7.731 1.251 0.000) 7.832 35.280 ( 7.123 3.850 0.000) 8.097 36.361 ( -13.208 -3.993 0.000) 13.798 36.389 ( -12.306 -2.644 -0.000) 12.587 38.228 ( 8.205 2.491 0.000) 8.575 38.318 ( 5.686 6.730 -0.000) 8.810 40.767 ( 16.980 -18.212 -0.000) 24.900 41.021 ( 7.990 -7.529 0.000) 10.978 ======================= Grid point 329 (102/120) ======================= q-point: ( 0.45 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.814 ( 14.596 -1.097 0.000) 14.638 4.932 ( 5.537 4.327 0.000) 7.028 5.132 ( 19.224 6.952 -0.000) 20.442 5.313 ( 7.570 14.816 0.000) 16.638 5.922 ( 11.430 -4.511 0.000) 12.288 6.125 ( -3.088 0.161 0.000) 3.092 6.273 ( -12.409 5.645 0.000) 13.633 6.359 ( -21.983 11.487 0.000) 24.803 6.559 ( -3.169 1.412 0.000) 3.470 6.650 ( -11.995 4.339 -0.000) 12.756 7.633 ( 1.628 -9.101 0.000) 9.245 7.735 ( -7.177 -4.951 0.000) 8.719 7.845 ( 4.492 3.428 0.000) 5.650 7.975 ( -7.993 7.365 0.000) 10.869 8.222 ( 1.857 -13.851 0.000) 13.975 8.249 ( -1.351 -11.694 -0.000) 11.772 8.433 ( 5.885 -7.516 0.000) 9.546 8.470 ( 3.886 -9.561 0.000) 10.321 9.078 ( 0.770 3.087 0.000) 3.182 9.128 ( -3.205 2.183 -0.000) 3.878 9.237 ( 1.940 18.072 0.000) 18.176 9.274 ( 1.166 5.085 -0.000) 5.217 9.348 ( 2.509 19.469 0.000) 19.630 9.417 ( -2.817 12.400 0.000) 12.716 10.475 ( 11.383 -7.340 0.000) 13.544 10.613 ( 2.923 -0.310 0.000) 2.939 10.805 ( -3.899 -6.417 0.000) 7.509 10.875 ( -5.370 -2.694 0.000) 6.008 11.258 ( 16.184 -6.727 -0.000) 17.527 11.365 ( 11.084 -4.185 0.000) 11.848 11.818 ( 3.994 -4.557 -0.000) 6.059 11.942 ( -4.790 -0.785 0.000) 4.854 11.978 ( 3.733 -5.255 0.000) 6.446 12.063 ( -2.698 -0.675 0.000) 2.781 12.358 ( -1.349 2.069 0.000) 2.469 12.386 ( -2.828 3.498 0.000) 4.498 12.798 ( -1.089 -5.541 0.000) 5.647 12.842 ( -5.194 -3.524 0.000) 6.276 13.737 ( -0.497 -8.787 -0.000) 8.801 13.839 ( -8.866 -7.246 0.000) 11.450 13.934 ( -4.384 -1.675 0.000) 4.693 13.999 ( -10.080 -1.066 0.000) 10.136 17.037 ( 0.580 -0.501 -0.000) 0.767 17.051 ( -0.647 0.060 0.000) 0.650 17.389 ( 0.688 -0.303 -0.000) 0.752 17.409 ( -1.221 0.520 0.000) 1.327 18.269 ( 1.474 1.886 0.000) 2.393 18.311 ( -2.813 3.214 0.000) 4.271 19.355 ( 1.173 -3.200 0.000) 3.408 19.385 ( -1.715 -2.371 0.000) 2.926 19.969 ( 1.536 16.550 -0.000) 16.622 20.014 ( -2.918 18.805 0.000) 19.030 22.207 ( 1.480 -1.747 0.000) 2.290 22.235 ( -1.234 -0.290 0.000) 1.268 26.609 ( 0.901 0.632 0.000) 1.100 26.616 ( 0.228 0.903 -0.000) 0.932 27.113 ( 0.743 -2.867 0.000) 2.962 27.121 ( -0.006 -2.552 -0.000) 2.552 35.355 ( 4.859 1.414 -0.000) 5.061 35.384 ( 2.364 2.689 0.000) 3.581 36.177 ( -4.377 -3.066 0.000) 5.344 36.198 ( -6.019 -2.131 -0.000) 6.385 38.356 ( 4.150 4.340 0.000) 6.004 38.388 ( 1.040 5.836 -0.000) 5.928 41.020 ( 8.225 -13.374 -0.000) 15.701 41.102 ( 0.033 -9.898 0.000) 9.898 ======================= Grid point 341 (103/120) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( 0.000 26.776 -7.587) 27.830 3.503 ( 0.000 26.776 7.587) 27.830 3.655 ( 0.000 27.331 -18.278) 32.880 3.655 ( 0.000 27.331 18.278) 32.880 5.323 ( 0.000 21.759 -32.778) 39.343 5.323 ( 0.000 21.759 32.778) 39.343 6.580 ( 0.000 -7.054 -6.780) 9.784 6.580 ( 0.000 -7.054 6.780) 9.784 6.821 ( 0.000 -22.821 -14.609) 27.096 6.821 ( 0.000 -22.821 14.609) 27.096 7.541 ( 0.000 3.860 -1.986) 4.341 7.541 ( 0.000 3.860 1.986) 4.341 7.901 ( 0.000 -14.628 -13.484) 19.895 7.901 ( 0.000 -14.628 13.484) 19.895 8.296 ( 0.000 -2.742 -3.996) 4.846 8.296 ( 0.000 -2.742 3.996) 4.846 8.857 ( 0.000 3.281 -0.015) 3.281 8.857 ( 0.000 3.281 0.015) 3.281 9.215 ( 0.000 -5.338 -8.499) 10.036 9.215 ( 0.000 -5.338 8.499) 10.036 9.413 ( 0.000 2.816 -4.639) 5.427 9.413 ( 0.000 2.816 4.639) 5.427 10.117 ( 0.000 -7.604 -0.484) 7.620 10.117 ( 0.000 -7.604 0.484) 7.620 10.236 ( 0.000 3.873 -2.117) 4.414 10.236 ( 0.000 3.873 2.117) 4.414 10.470 ( 0.000 21.897 -9.488) 23.864 10.470 ( 0.000 21.897 9.488) 23.864 11.289 ( 0.000 -5.265 -0.009) 5.265 11.289 ( 0.000 -5.265 0.009) 5.265 11.532 ( 0.000 -12.686 -3.175) 13.077 11.532 ( 0.000 -12.686 3.175) 13.077 12.159 ( 0.000 -7.898 -4.068) 8.884 12.159 ( 0.000 -7.898 4.068) 8.884 12.344 ( 0.000 -7.017 -0.840) 7.067 12.344 ( 0.000 -7.017 0.840) 7.067 13.271 ( 0.000 3.054 -5.648) 6.421 13.271 ( 0.000 3.054 5.648) 6.421 13.878 ( 0.000 -9.290 -10.985) 14.386 13.878 ( 0.000 -9.290 10.985) 14.386 14.762 ( 0.000 3.835 -7.130) 8.096 14.762 ( 0.000 3.835 7.130) 8.096 16.559 ( 0.000 5.931 -7.733) 9.745 16.559 ( 0.000 5.931 7.733) 9.745 17.155 ( 0.000 -1.901 -7.857) 8.084 17.155 ( 0.000 -1.901 7.857) 8.084 19.249 ( 0.000 22.108 -8.185) 23.574 19.249 ( 0.000 22.108 8.185) 23.574 19.956 ( 0.000 -2.276 -2.538) 3.409 19.956 ( 0.000 -2.276 2.538) 3.409 20.647 ( 0.000 21.557 -15.775) 26.712 20.647 ( 0.000 21.557 15.775) 26.712 22.168 ( 0.000 -1.236 -1.754) 2.146 22.168 ( 0.000 -1.236 1.754) 2.146 26.446 ( 0.000 1.971 -0.025) 1.971 26.446 ( 0.000 1.971 0.025) 1.971 26.921 ( 0.000 -3.148 -3.223) 4.506 26.921 ( 0.000 -3.148 3.223) 4.506 34.989 ( 0.000 9.428 -11.955) 15.225 34.989 ( 0.000 9.428 11.955) 15.225 37.658 ( 0.000 -28.418 -16.847) 33.036 37.658 ( 0.000 -28.418 16.847) 33.036 37.778 ( 0.000 1.001 -6.637) 6.712 37.778 ( 0.000 1.001 6.637) 6.712 38.530 ( 0.000 -11.974 -3.330) 12.428 38.530 ( 0.000 -11.974 3.330) 12.428 ======================= Grid point 343 (104/120) ======================= q-point: ( 0.09 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 6.507 28.310 -0.000) 29.048 3.656 ( 12.883 29.802 -0.000) 32.467 3.749 ( 15.948 19.832 0.000) 25.449 3.901 ( 15.771 20.779 0.000) 26.086 5.458 ( 9.846 14.965 -0.000) 17.914 5.510 ( 19.078 17.987 0.000) 26.220 6.486 ( 0.314 -1.061 0.000) 1.106 6.641 ( 2.763 -5.109 0.000) 5.808 6.819 ( 2.426 -16.175 -0.000) 16.356 6.981 ( 9.635 -21.773 0.000) 23.810 7.428 ( -11.492 -4.217 0.000) 12.241 7.580 ( 3.217 -0.967 -0.000) 3.359 7.826 ( -6.660 -15.428 -0.000) 16.804 7.893 ( 1.635 -7.230 0.000) 7.413 8.308 ( -3.545 1.204 0.000) 3.744 8.349 ( 4.688 -2.165 0.000) 5.163 8.551 ( -14.264 4.902 0.000) 15.082 8.935 ( -7.588 -10.431 0.000) 12.899 9.136 ( 10.495 6.793 0.000) 12.501 9.228 ( -11.034 -0.053 0.000) 11.034 9.437 ( -0.827 8.501 0.000) 8.542 9.610 ( 18.553 -7.106 0.000) 19.868 9.996 ( -8.752 -4.623 0.000) 9.898 10.083 ( -5.214 -7.543 0.000) 9.170 10.200 ( -2.430 8.275 0.000) 8.625 10.239 ( -3.734 -1.467 0.000) 4.011 10.348 ( -5.074 17.980 -0.000) 18.682 10.565 ( 3.581 22.810 0.000) 23.089 11.176 ( -5.292 -7.110 0.000) 8.863 11.332 ( -0.588 -0.981 0.000) 1.143 11.475 ( -4.953 -16.769 0.000) 17.485 11.567 ( 2.234 -8.477 0.000) 8.767 11.946 ( -5.046 -3.188 0.000) 5.968 12.212 ( 0.397 -3.471 0.000) 3.494 12.354 ( 2.827 -3.920 0.000) 4.833 12.649 ( 16.728 -17.726 0.000) 24.373 12.871 ( -19.596 7.461 0.000) 20.969 13.450 ( -2.616 -0.974 0.000) 2.792 13.731 ( -3.410 -9.268 0.000) 9.876 14.012 ( 4.860 -10.308 0.000) 11.396 14.521 ( -11.894 3.018 0.000) 12.271 14.967 ( 6.378 0.983 0.000) 6.454 16.520 ( 3.202 3.771 0.000) 4.947 16.723 ( 8.681 4.059 0.000) 9.583 17.132 ( 1.242 -2.518 0.000) 2.808 17.246 ( 5.383 -0.854 0.000) 5.450 19.114 ( -8.617 17.124 0.000) 19.170 19.230 ( -8.037 22.531 0.000) 23.921 19.852 ( -10.123 -2.205 -0.000) 10.361 19.865 ( -7.789 0.235 0.000) 7.793 20.342 ( -10.144 17.385 0.000) 20.128 20.865 ( 4.208 25.987 0.000) 26.325 22.103 ( -2.324 -3.205 0.000) 3.959 22.244 ( 3.379 1.016 0.000) 3.528 26.451 ( 1.570 1.706 0.000) 2.319 26.490 ( 2.951 2.073 0.000) 3.606 26.928 ( 0.856 -3.287 -0.000) 3.397 26.939 ( 1.488 -3.369 0.000) 3.683 34.989 ( 1.270 8.518 -0.000) 8.612 35.036 ( 3.356 9.341 0.000) 9.926 37.186 ( -19.990 -17.972 -0.000) 26.882 37.614 ( -31.082 -22.820 0.000) 38.560 37.763 ( 2.536 0.672 0.000) 2.624 37.955 ( 6.283 6.415 0.000) 8.979 38.371 ( 32.933 -20.910 0.000) 39.011 39.361 ( 38.983 -19.596 0.000) 43.631 ======================= Grid point 345 (105/120) ======================= q-point: ( 0.18 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( 15.161 22.525 0.000) 27.152 3.989 ( 19.579 30.644 -0.000) 36.365 4.192 ( 25.450 14.743 -0.000) 29.412 4.236 ( 17.041 13.035 0.000) 21.455 5.600 ( 3.369 1.355 0.000) 3.631 5.984 ( 22.783 -0.543 0.000) 22.790 6.698 ( 18.292 8.144 -0.000) 20.023 6.740 ( 4.319 8.492 0.000) 9.527 6.937 ( 11.526 -6.184 0.000) 13.080 7.147 ( 7.577 -15.530 0.000) 17.280 7.201 ( -5.193 -10.741 0.000) 11.930 7.556 ( -9.175 -8.900 0.000) 12.783 7.738 ( 0.083 -18.786 0.000) 18.786 7.900 ( -3.795 -7.320 0.000) 8.245 8.130 ( -10.620 11.654 0.000) 15.768 8.244 ( -11.393 16.678 0.000) 20.198 8.508 ( 6.178 -6.710 0.000) 9.122 8.878 ( -1.138 -5.620 0.000) 5.734 8.973 ( -13.176 -2.321 0.000) 13.379 9.238 ( -0.707 4.533 0.000) 4.588 9.460 ( 4.141 8.682 0.000) 9.619 9.789 ( -6.676 -0.886 0.000) 6.735 9.893 ( -15.514 -6.481 0.000) 16.813 9.982 ( 12.434 -1.292 0.000) 12.501 10.072 ( -8.692 1.527 0.000) 8.825 10.125 ( -3.319 11.583 0.000) 12.049 10.301 ( 1.185 8.057 0.000) 8.144 10.627 ( 2.134 15.305 0.000) 15.453 11.094 ( -2.745 -6.020 0.000) 6.616 11.253 ( -8.531 -11.110 0.000) 14.007 11.391 ( 0.085 -2.813 0.000) 2.814 11.639 ( 4.909 -4.994 0.000) 7.003 11.951 ( 2.486 -0.884 0.000) 2.639 12.243 ( 2.915 -6.578 0.000) 7.195 12.408 ( 2.397 -6.114 0.000) 6.567 12.546 ( -12.229 9.054 0.000) 15.216 12.886 ( 5.562 -14.711 0.000) 15.727 13.245 ( -13.101 -2.844 0.000) 13.406 13.714 ( -0.891 -8.313 0.000) 8.361 14.066 ( 0.090 -8.397 0.000) 8.398 14.290 ( -10.414 -5.159 0.000) 11.622 14.955 ( -7.939 -2.523 0.000) 8.330 16.673 ( 10.400 -0.690 0.000) 10.423 16.874 ( 6.040 0.577 0.000) 6.068 17.203 ( 5.142 -1.979 0.000) 5.510 17.356 ( 5.102 -0.350 0.000) 5.114 18.904 ( -21.195 14.784 0.000) 25.841 18.919 ( -10.451 10.808 0.000) 15.035 19.668 ( -10.979 2.499 0.000) 11.260 19.675 ( -6.500 3.617 -0.000) 7.439 20.241 ( -1.508 15.359 0.000) 15.433 20.844 ( -4.821 28.589 0.000) 28.993 22.075 ( -0.593 -4.023 0.000) 4.067 22.294 ( 1.452 2.092 0.000) 2.547 26.498 ( 2.763 1.522 0.000) 3.154 26.551 ( 2.852 2.030 0.000) 3.500 26.952 ( 1.504 -3.683 0.000) 3.978 26.977 ( 2.119 -3.737 0.000) 4.296 35.041 ( 3.860 7.000 0.000) 7.994 35.123 ( 5.291 8.267 0.000) 9.815 36.833 ( -15.492 -11.808 -0.000) 19.479 37.008 ( -26.343 -12.893 0.000) 29.329 37.881 ( 8.833 2.019 0.000) 9.061 38.142 ( 10.470 8.636 0.000) 13.573 39.101 ( 36.716 -27.578 0.000) 45.920 40.045 ( 28.249 -20.522 0.000) 34.916 ======================= Grid point 347 (106/120) ======================= q-point: ( 0.27 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( 18.329 12.900 0.000) 22.413 4.428 ( 23.560 28.321 -0.000) 36.840 4.581 ( 16.897 7.867 0.000) 18.638 4.722 ( 26.817 14.672 0.000) 30.568 5.644 ( 2.408 -0.982 0.000) 2.600 6.254 ( 2.765 -14.297 0.000) 14.562 6.674 ( -5.588 4.561 0.000) 7.213 6.902 ( -0.271 5.367 -0.000) 5.373 7.175 ( -0.536 -17.977 0.000) 17.985 7.294 ( -10.480 -16.291 0.000) 19.371 7.413 ( 24.203 5.874 -0.000) 24.906 7.542 ( 26.299 15.581 0.000) 30.568 7.668 ( -16.030 -7.423 -0.000) 17.665 7.694 ( -2.670 -15.111 0.000) 15.345 8.037 ( 2.239 11.209 0.000) 11.430 8.114 ( -2.593 14.778 0.000) 15.004 8.457 ( -13.334 -4.951 0.000) 14.224 8.796 ( -8.163 3.526 0.000) 8.892 8.879 ( 6.665 -4.694 0.000) 8.153 9.168 ( -5.238 1.267 0.000) 5.389 9.513 ( -15.792 0.406 0.000) 15.797 9.573 ( 4.915 12.319 0.000) 13.264 9.666 ( -5.493 2.824 -0.000) 6.177 9.992 ( 0.433 -5.366 -0.000) 5.383 9.993 ( -4.821 21.545 0.000) 22.078 10.235 ( 8.546 -1.201 0.000) 8.630 10.457 ( 13.655 -3.631 0.000) 14.130 10.636 ( -0.579 2.414 0.000) 2.482 11.049 ( -10.388 -12.477 0.000) 16.235 11.066 ( -0.388 -0.936 0.000) 1.014 11.456 ( 5.331 -1.212 0.000) 5.467 11.748 ( 5.259 -5.462 0.000) 7.583 11.955 ( -2.896 -3.998 0.000) 4.936 12.322 ( 4.263 -8.037 0.000) 9.098 12.363 ( -6.652 8.605 0.000) 10.877 12.455 ( 2.173 -4.224 0.000) 4.750 12.872 ( -5.813 -7.274 0.000) 9.311 13.018 ( -8.455 -1.863 0.000) 8.658 13.675 ( -2.821 -8.606 0.000) 9.057 14.012 ( -4.415 1.160 0.000) 4.565 14.108 ( -8.735 -20.155 0.000) 21.967 14.668 ( -19.375 -5.290 0.000) 20.084 16.869 ( 7.926 -2.385 -0.000) 8.277 16.973 ( 3.987 -0.979 0.000) 4.105 17.304 ( 4.125 -1.267 0.000) 4.315 17.434 ( 2.260 -0.236 0.000) 2.272 18.525 ( -14.256 9.101 0.000) 16.914 18.701 ( -10.831 6.062 0.000) 12.412 19.462 ( -8.529 2.842 0.000) 8.990 19.556 ( -5.831 3.168 0.000) 6.636 20.248 ( 1.814 17.446 0.000) 17.540 20.721 ( -6.625 28.554 0.000) 29.312 22.077 ( 0.819 -4.321 0.000) 4.398 22.301 ( -0.656 1.699 0.000) 1.821 26.554 ( 2.621 1.478 0.000) 3.009 26.600 ( 1.982 1.862 0.000) 2.719 26.984 ( 1.570 -4.079 0.000) 4.370 27.018 ( 1.743 -4.013 -0.000) 4.376 35.142 ( 5.977 5.312 0.000) 7.996 35.245 ( 6.596 6.767 0.000) 9.450 36.547 ( -13.074 -7.715 -0.000) 15.181 36.559 ( -18.537 -8.670 0.000) 20.464 38.096 ( 11.785 4.438 0.000) 12.593 38.347 ( 9.330 10.163 0.000) 13.796 39.793 ( 30.967 -26.378 0.000) 40.679 40.499 ( 17.096 -19.338 0.000) 25.811 ======================= Grid point 349 (107/120) ======================= q-point: ( 0.36 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.487 ( 16.597 3.632 0.000) 16.990 4.865 ( 12.427 6.930 0.000) 14.229 4.942 ( 24.247 20.483 -0.000) 31.741 5.275 ( 27.698 16.398 0.000) 32.188 5.722 ( 5.242 2.432 0.000) 5.778 6.181 ( -5.691 -6.477 0.000) 8.621 6.612 ( -2.823 -2.761 0.000) 3.948 6.699 ( -16.634 7.254 0.000) 18.147 7.036 ( -14.180 -3.201 -0.000) 14.537 7.079 ( -14.395 7.592 0.000) 16.274 7.330 ( -7.016 -13.749 0.000) 15.436 7.559 ( -1.935 -14.797 0.000) 14.923 7.923 ( 11.280 -10.270 0.000) 15.255 7.995 ( -1.031 13.062 0.000) 13.102 8.101 ( 13.244 -0.209 0.000) 13.245 8.162 ( 8.542 12.585 -0.000) 15.211 8.231 ( -4.423 -0.188 0.000) 4.427 8.547 ( -13.987 8.581 0.000) 16.409 9.047 ( 6.533 -5.389 -0.000) 8.469 9.065 ( -3.994 -0.779 0.000) 4.069 9.339 ( -0.351 5.281 0.000) 5.292 9.559 ( -4.941 7.011 0.000) 8.578 9.701 ( 5.926 15.830 0.000) 16.903 9.889 ( -5.172 22.204 -0.000) 22.798 10.076 ( 7.643 -9.717 0.000) 12.363 10.445 ( 10.874 -3.836 0.000) 11.530 10.671 ( 5.763 -7.226 0.000) 9.243 10.708 ( 3.752 -7.091 -0.000) 8.022 10.931 ( 6.700 -9.043 0.000) 11.255 11.065 ( 0.378 1.961 0.000) 1.997 11.578 ( 5.979 -5.682 0.000) 8.248 11.827 ( 1.955 -9.107 0.000) 9.314 11.865 ( -4.181 -6.687 0.000) 7.887 12.241 ( -6.569 5.463 0.000) 8.544 12.378 ( 0.634 -4.696 0.000) 4.739 12.480 ( -0.006 0.604 0.000) 0.604 12.734 ( -5.557 -4.516 0.000) 7.160 12.891 ( -5.585 -2.535 0.000) 6.133 13.603 ( -4.282 -9.671 0.000) 10.577 13.868 ( -12.757 -13.662 0.000) 18.693 13.956 ( -3.095 -3.962 0.000) 5.027 14.247 ( -19.636 -4.587 0.000) 20.165 16.982 ( 3.606 -1.265 -0.000) 3.821 17.035 ( 2.096 -0.656 0.000) 2.197 17.360 ( 1.659 -0.413 0.000) 1.710 17.445 ( -0.797 0.183 0.000) 0.817 18.348 ( -4.017 5.197 0.000) 6.569 18.502 ( -8.368 3.796 0.000) 9.188 19.341 ( -3.462 0.798 0.000) 3.553 19.441 ( -5.298 0.751 0.000) 5.351 20.303 ( 3.472 19.896 0.000) 20.196 20.592 ( -6.032 26.960 0.000) 27.626 22.107 ( 2.071 -4.054 0.000) 4.552 22.271 ( -2.211 0.307 0.000) 2.232 26.600 ( 1.960 1.458 0.000) 2.443 26.631 ( 1.022 1.645 0.000) 1.937 27.014 ( 1.309 -4.323 0.000) 4.517 27.043 ( 0.742 -4.189 -0.000) 4.255 35.275 ( 6.975 3.929 0.000) 8.005 35.377 ( 5.986 5.391 0.000) 8.056 36.252 ( -11.943 -6.366 0.000) 13.533 36.306 ( -10.658 -5.218 -0.000) 11.867 38.327 ( 10.434 7.004 0.000) 12.567 38.500 ( 5.481 10.757 0.000) 12.073 40.327 ( 21.707 -23.211 -0.000) 31.780 40.744 ( 7.364 -18.426 0.000) 19.843 ======================= Grid point 351 (108/120) ======================= q-point: ( 0.45 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.786 ( 12.633 -1.748 0.000) 12.754 4.958 ( -2.946 -1.585 0.000) 3.345 5.438 ( 22.715 20.971 -0.000) 30.915 5.716 ( 2.777 23.509 0.000) 23.672 5.866 ( 16.025 -1.036 0.000) 16.058 6.106 ( -3.839 -1.849 0.000) 4.261 6.408 ( -6.593 6.346 0.000) 9.150 6.511 ( -7.958 3.230 0.000) 8.589 6.705 ( -13.554 11.272 0.000) 17.629 6.748 ( -12.300 4.755 -0.000) 13.187 7.357 ( 5.393 -14.837 0.000) 15.787 7.480 ( -5.807 -15.008 0.000) 16.092 7.902 ( -1.011 -1.028 0.000) 1.442 7.964 ( -4.649 -8.321 0.000) 9.532 8.221 ( 1.701 7.351 0.000) 7.546 8.253 ( -0.425 10.635 0.000) 10.643 8.347 ( 6.526 1.072 0.000) 6.613 8.394 ( -0.681 5.758 0.000) 5.798 9.034 ( 1.237 -3.340 -0.000) 3.561 9.086 ( -2.090 -4.730 0.000) 5.172 9.399 ( 3.964 5.248 0.000) 6.577 9.473 ( -3.657 6.738 0.000) 7.667 9.775 ( 1.661 18.734 0.000) 18.808 9.807 ( -2.531 20.424 0.000) 20.580 10.271 ( 10.607 -11.892 0.000) 15.935 10.473 ( -8.248 -12.960 0.000) 15.362 10.761 ( 6.380 2.481 0.000) 6.845 10.818 ( 3.374 -2.568 0.000) 4.241 11.139 ( 9.103 -3.843 -0.000) 9.881 11.217 ( 9.344 -9.219 0.000) 13.126 11.661 ( 3.948 -11.303 0.000) 11.972 11.799 ( -5.463 -12.243 0.000) 13.406 11.877 ( 6.458 -3.663 0.000) 7.425 12.065 ( -10.422 -0.108 0.000) 10.422 12.387 ( 1.778 -1.014 0.000) 2.047 12.450 ( -3.026 1.284 0.000) 3.287 12.677 ( -0.386 -4.528 0.000) 4.544 12.749 ( -7.490 -4.449 0.000) 8.711 13.528 ( -1.268 -10.503 0.000) 10.579 13.614 ( -9.883 -12.399 0.000) 15.856 13.927 ( -0.025 0.233 0.000) 0.234 13.979 ( -6.575 -0.658 0.000) 6.608 17.032 ( 1.705 0.070 -0.000) 1.707 17.053 ( -0.239 0.192 0.000) 0.306 17.387 ( 1.327 0.038 0.000) 1.328 17.418 ( -1.654 0.239 0.000) 1.672 18.324 ( 0.918 3.052 0.000) 3.187 18.375 ( -4.279 2.768 0.000) 5.096 19.313 ( 0.444 -0.882 0.000) 0.987 19.352 ( -3.286 -0.837 0.000) 3.391 20.383 ( 4.388 22.242 -0.000) 22.671 20.479 ( -5.180 24.680 0.000) 25.218 22.158 ( 2.873 -3.041 0.000) 4.184 22.218 ( -2.958 -1.454 0.000) 3.296 26.631 ( 1.030 1.445 0.000) 1.775 26.641 ( 0.013 1.494 -0.000) 1.494 27.036 ( 0.897 -4.389 0.000) 4.480 27.048 ( -0.237 -4.322 -0.000) 4.328 35.406 ( 5.380 3.439 0.000) 6.385 35.456 ( 1.018 4.238 0.000) 4.359 36.093 ( -3.146 -4.976 0.000) 5.887 36.131 ( -6.162 -4.276 -0.000) 7.500 38.496 ( 5.913 9.056 0.000) 10.816 38.556 ( -0.046 10.344 0.000) 10.344 40.663 ( 11.642 -20.334 -0.000) 23.430 40.799 ( -1.930 -18.679 0.000) 18.779 ======================= Grid point 363 (109/120) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 0.000 20.366 -5.958) 21.220 3.982 ( 0.000 20.366 5.958) 21.220 4.257 ( 0.000 28.761 -2.450) 28.865 4.257 ( 0.000 28.761 2.450) 28.865 5.767 ( 0.000 12.064 -3.406) 12.536 5.767 ( 0.000 12.064 3.406) 12.536 6.320 ( 0.000 -24.493 -16.693) 29.641 6.320 ( 0.000 -24.493 16.693) 29.641 6.522 ( 0.000 9.105 -14.727) 17.314 6.522 ( 0.000 9.105 14.727) 17.314 7.569 ( 0.000 -7.310 -4.080) 8.372 7.569 ( 0.000 -7.310 4.080) 8.372 7.686 ( 0.000 1.728 -3.248) 3.679 7.686 ( 0.000 1.728 3.248) 3.679 8.235 ( 0.000 -4.165 -3.224) 5.267 8.235 ( 0.000 -4.165 3.224) 5.267 8.893 ( 0.000 -1.650 -4.780) 5.057 8.893 ( 0.000 -1.650 4.780) 5.057 9.064 ( 0.000 -16.069 -2.953) 16.338 9.064 ( 0.000 -16.069 2.953) 16.338 9.386 ( 0.000 -0.019 -2.126) 2.126 9.386 ( 0.000 -0.019 2.126) 2.126 9.981 ( 0.000 2.485 -6.423) 6.887 9.981 ( 0.000 2.485 6.423) 6.887 10.383 ( 0.000 5.637 -1.761) 5.906 10.383 ( 0.000 5.637 1.761) 5.906 10.874 ( 0.000 9.765 -1.143) 9.832 10.874 ( 0.000 9.765 1.143) 9.832 11.102 ( 0.000 -4.837 -0.836) 4.908 11.102 ( 0.000 -4.837 0.836) 4.908 11.443 ( 0.000 2.476 -3.477) 4.269 11.443 ( 0.000 2.476 3.477) 4.269 11.967 ( 0.000 -10.252 -0.189) 10.253 11.967 ( 0.000 -10.252 0.189) 10.253 12.213 ( 0.000 -6.035 -6.270) 8.702 12.213 ( 0.000 -6.035 6.270) 8.702 13.318 ( 0.000 1.902 -6.919) 7.176 13.318 ( 0.000 1.902 6.919) 7.176 13.664 ( 0.000 -10.669 -9.454) 14.255 13.664 ( 0.000 -10.669 9.454) 14.255 14.849 ( 0.000 3.986 -1.648) 4.314 14.849 ( 0.000 3.986 1.648) 4.314 16.679 ( 0.000 5.337 -6.069) 8.082 16.679 ( 0.000 5.337 6.069) 8.082 17.116 ( 0.000 -1.869 -6.085) 6.365 17.116 ( 0.000 -1.869 6.085) 6.365 19.540 ( 0.000 7.562 -1.416) 7.693 19.540 ( 0.000 7.562 1.416) 7.693 19.928 ( 0.000 -0.539 -1.428) 1.527 19.928 ( 0.000 -0.539 1.428) 1.527 21.138 ( 0.000 23.639 -21.742) 32.117 21.138 ( 0.000 23.639 21.742) 32.117 22.113 ( 0.000 -4.337 -4.668) 6.372 22.113 ( 0.000 -4.337 4.668) 6.372 26.489 ( 0.000 2.025 -0.066) 2.027 26.489 ( 0.000 2.025 0.066) 2.027 26.857 ( 0.000 -2.876 -2.024) 3.517 26.857 ( 0.000 -2.876 2.024) 3.517 35.206 ( 0.000 11.037 -13.458) 17.405 35.206 ( 0.000 11.037 13.458) 17.405 37.065 ( 0.000 -25.951 -25.207) 36.178 37.065 ( 0.000 -25.951 25.207) 36.178 37.821 ( 0.000 2.470 -4.535) 5.164 37.821 ( 0.000 2.470 4.535) 5.164 38.339 ( 0.000 -7.290 -5.915) 9.387 38.339 ( 0.000 -7.290 5.915) 9.387 ======================= Grid point 365 (110/120) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( 7.081 18.299 -0.000) 19.622 4.205 ( 15.948 21.858 -0.000) 27.058 4.305 ( 7.827 30.332 0.000) 31.326 4.352 ( 7.235 22.400 0.000) 23.539 5.674 ( -5.121 1.675 0.000) 5.388 5.800 ( 1.923 4.846 0.000) 5.213 6.413 ( 6.251 -21.381 -0.000) 22.276 6.416 ( 6.914 -28.435 0.000) 29.263 6.638 ( 15.085 17.959 -0.000) 23.454 6.687 ( 13.889 12.596 0.000) 18.750 7.442 ( -4.300 -10.685 0.000) 11.518 7.457 ( -11.920 3.471 0.000) 12.415 7.725 ( -4.070 5.062 0.000) 6.495 7.732 ( 7.306 -3.806 0.000) 8.238 8.257 ( 2.664 -5.708 -0.000) 6.299 8.324 ( 6.598 -2.252 0.000) 6.972 8.705 ( -10.035 -8.433 0.000) 13.108 8.748 ( -7.694 9.303 -0.000) 12.072 9.053 ( -6.690 -20.333 0.000) 21.405 9.271 ( 11.327 -3.052 0.000) 11.731 9.478 ( 3.738 -5.219 -0.000) 6.420 9.482 ( 13.827 -1.327 0.000) 13.890 9.883 ( -9.404 -1.058 -0.000) 9.463 9.888 ( -7.613 2.079 0.000) 7.892 10.295 ( -8.231 2.211 0.000) 8.522 10.380 ( -1.265 7.524 0.000) 7.629 10.765 ( -5.995 16.484 0.000) 17.541 10.887 ( -2.566 -3.960 0.000) 4.719 11.072 ( -3.585 -12.692 -0.000) 13.188 11.129 ( 2.542 14.736 0.000) 14.954 11.467 ( 1.536 6.882 0.000) 7.051 11.474 ( 3.337 -1.376 -0.000) 3.609 11.858 ( -0.282 -4.947 0.000) 4.955 12.124 ( -0.988 -5.038 0.000) 5.134 12.235 ( 0.111 -7.567 -0.000) 7.568 12.246 ( 10.605 -19.622 0.000) 22.304 13.032 ( -14.401 7.198 0.000) 16.099 13.407 ( -7.763 -3.300 0.000) 8.436 13.542 ( 0.071 -7.975 0.000) 7.976 13.758 ( 2.151 -12.600 0.000) 12.782 14.649 ( -11.347 7.812 0.000) 13.776 14.970 ( 2.048 -0.952 0.000) 2.259 16.617 ( 0.269 5.215 0.000) 5.222 16.792 ( 4.829 2.062 0.000) 5.251 17.101 ( 2.537 -0.303 0.000) 2.555 17.221 ( 6.109 -1.631 0.000) 6.323 19.345 ( -12.946 6.688 0.000) 14.571 19.485 ( -12.815 3.844 0.000) 13.379 19.850 ( -4.865 1.634 0.000) 5.132 19.882 ( -5.549 1.063 0.000) 5.650 20.804 ( -12.946 24.932 0.000) 28.092 21.374 ( 4.810 20.563 0.000) 21.118 22.017 ( -2.414 -4.604 0.000) 5.198 22.241 ( 5.477 -1.670 0.000) 5.726 26.494 ( 1.496 2.271 0.000) 2.719 26.531 ( 2.863 1.742 0.000) 3.351 26.862 ( 0.586 -2.908 -0.000) 2.966 26.868 ( 0.994 -3.264 0.000) 3.412 35.192 ( 0.085 10.628 -0.000) 10.628 35.246 ( 2.399 10.347 0.000) 10.622 36.819 ( -12.302 -16.554 -0.000) 20.624 37.047 ( -13.367 -27.179 0.000) 30.288 37.797 ( 3.398 2.545 0.000) 4.245 38.080 ( 21.405 -0.674 0.000) 21.416 38.141 ( 4.586 1.522 0.000) 4.832 38.954 ( 32.852 -18.847 0.000) 37.875 ======================= Grid point 367 (111/120) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( 8.810 16.554 -0.000) 18.753 4.504 ( 11.034 12.395 0.000) 16.595 4.600 ( 20.437 23.904 -0.000) 31.449 4.608 ( 19.540 26.771 0.000) 33.143 5.617 ( 0.276 -0.374 0.000) 0.465 5.878 ( 5.672 -6.488 0.000) 8.618 6.508 ( 1.419 -30.426 -0.000) 30.459 6.549 ( 7.973 -19.485 0.000) 21.053 6.948 ( 4.828 5.011 0.000) 6.959 7.061 ( 22.737 12.321 -0.000) 25.861 7.368 ( 8.553 13.547 0.000) 16.021 7.395 ( -0.179 -7.957 0.000) 7.959 7.572 ( -9.543 7.072 0.000) 11.878 7.845 ( 4.639 6.070 0.000) 7.640 8.338 ( 4.690 -8.906 0.000) 10.065 8.378 ( -2.581 11.590 0.000) 11.874 8.614 ( -6.284 15.456 0.000) 16.685 8.634 ( 3.660 -13.837 0.000) 14.313 8.865 ( -10.630 -8.844 0.000) 13.828 9.411 ( 1.531 1.494 0.000) 2.139 9.525 ( -0.055 -5.118 0.000) 5.119 9.668 ( -7.943 -7.769 0.000) 11.111 9.725 ( -6.312 0.333 0.000) 6.320 9.818 ( 16.226 -8.927 0.000) 18.520 10.068 ( -12.570 -0.442 0.000) 12.578 10.335 ( -2.801 7.548 0.000) 8.051 10.646 ( -5.729 16.803 0.000) 17.753 10.797 ( -6.241 -4.461 0.000) 7.671 10.964 ( -6.737 -9.950 -0.000) 12.016 11.164 ( 0.590 16.650 0.000) 16.660 11.493 ( 1.090 8.223 0.000) 8.295 11.560 ( 4.117 -2.695 -0.000) 4.920 11.903 ( 1.559 -2.742 0.000) 3.154 12.088 ( 0.110 -7.916 0.000) 7.916 12.235 ( 1.589 -10.726 -0.000) 10.843 12.447 ( 6.024 -19.554 0.000) 20.461 12.805 ( -6.818 8.071 0.000) 10.565 13.178 ( -11.624 -3.660 0.000) 12.186 13.548 ( -1.102 -7.035 0.000) 7.121 13.759 ( -1.891 -15.083 0.000) 15.201 14.389 ( -14.140 8.777 0.000) 16.642 14.883 ( -11.015 -4.641 0.000) 11.953 16.697 ( 6.938 2.541 0.000) 7.389 16.872 ( 3.691 -1.033 0.000) 3.833 17.198 ( 5.940 1.364 0.000) 6.094 17.341 ( 5.344 -1.225 0.000) 5.482 19.056 ( -14.848 3.663 0.000) 15.293 19.082 ( -23.180 3.865 0.000) 23.500 19.723 ( -9.591 2.606 0.000) 9.938 19.745 ( -6.115 2.663 0.000) 6.669 20.655 ( -2.646 22.847 0.000) 22.999 21.358 ( -4.659 17.301 0.000) 17.918 22.000 ( -0.134 -1.493 0.000) 1.499 22.316 ( 1.788 -0.397 0.000) 1.832 26.539 ( 2.732 2.368 0.000) 3.615 26.591 ( 2.792 1.677 0.000) 3.256 26.879 ( 1.061 -3.243 0.000) 3.412 26.896 ( 1.616 -3.901 0.000) 4.222 35.213 ( 2.091 9.271 -0.000) 9.504 35.304 ( 3.516 8.659 0.000) 9.346 36.587 ( -10.854 -11.467 -0.000) 15.790 36.694 ( -18.216 -16.055 0.000) 24.281 37.951 ( 11.433 4.797 0.000) 12.398 38.336 ( 12.250 8.263 0.000) 14.776 38.654 ( 32.530 -13.863 0.000) 35.361 39.575 ( 27.468 -23.645 0.000) 36.243 ======================= Grid point 369 (112/120) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.369 ( 9.092 10.311 0.000) 13.747 4.722 ( 10.355 4.389 0.000) 11.246 5.028 ( 21.453 27.949 -0.000) 35.233 5.064 ( 24.454 17.828 0.000) 30.263 5.692 ( 7.015 4.792 0.000) 8.495 5.996 ( 5.053 -8.238 0.000) 9.664 6.488 ( -2.022 -21.648 0.000) 21.742 6.731 ( 8.647 -20.561 -0.000) 22.306 6.949 ( 0.209 -3.165 0.000) 3.172 7.180 ( -10.394 -0.513 0.000) 10.407 7.405 ( -3.787 -4.789 0.000) 6.106 7.536 ( -1.562 0.061 0.000) 1.563 7.620 ( 15.372 12.323 -0.000) 19.701 8.020 ( 12.517 22.742 0.000) 25.959 8.345 ( -6.300 -2.994 0.000) 6.976 8.352 ( 2.641 16.627 -0.000) 16.836 8.496 ( -4.602 18.000 0.000) 18.579 8.704 ( 0.374 -8.483 0.000) 8.491 8.738 ( 2.517 -7.732 0.000) 8.132 9.344 ( -7.128 10.894 0.000) 13.019 9.419 ( -6.858 -8.806 0.000) 11.162 9.577 ( -0.943 -9.785 0.000) 9.830 9.726 ( 4.034 -0.149 0.000) 4.037 9.887 ( -2.492 -0.305 0.000) 2.511 10.113 ( 9.284 -10.972 0.000) 14.373 10.326 ( 4.978 5.623 0.000) 7.510 10.542 ( -3.862 11.817 0.000) 12.432 10.648 ( -7.596 -2.519 0.000) 8.003 10.816 ( -7.264 -5.063 0.000) 8.854 11.159 ( -0.788 9.959 0.000) 9.990 11.505 ( -0.277 4.472 0.000) 4.480 11.606 ( 0.480 -7.754 0.000) 7.769 11.841 ( -6.082 -5.697 0.000) 8.333 12.152 ( 5.013 -7.821 0.000) 9.290 12.343 ( 7.438 -6.395 0.000) 9.809 12.442 ( -4.870 -5.571 0.000) 7.399 12.750 ( -1.279 -0.284 0.000) 1.310 12.982 ( -7.617 -1.858 0.000) 7.840 13.501 ( -3.369 -7.455 0.000) 8.181 13.682 ( -5.752 -16.556 0.000) 17.527 14.119 ( -11.292 6.000 0.000) 12.787 14.554 ( -20.084 -5.957 0.000) 20.949 16.851 ( 7.331 0.410 0.000) 7.342 16.950 ( 3.923 -1.369 0.000) 4.155 17.306 ( 4.293 1.264 0.000) 4.475 17.422 ( 2.492 -0.998 0.000) 2.684 18.670 ( -16.115 5.145 0.000) 16.917 18.772 ( -12.902 1.434 0.000) 12.981 19.525 ( -9.334 3.025 0.000) 9.812 19.602 ( -7.758 1.281 0.000) 7.863 20.658 ( 2.243 20.995 0.000) 21.114 21.237 ( -6.690 17.931 0.000) 19.139 22.001 ( 0.416 -1.498 0.000) 1.555 22.315 ( -1.697 -0.816 0.000) 1.883 26.594 ( 2.585 2.380 0.000) 3.514 26.638 ( 1.875 1.724 0.000) 2.547 26.902 ( 1.176 -3.666 0.000) 3.850 26.928 ( 1.461 -4.402 -0.000) 4.639 35.277 ( 4.171 7.464 0.000) 8.550 35.389 ( 4.813 6.631 0.000) 8.194 36.362 ( -14.482 -9.641 -0.000) 17.397 36.376 ( -10.056 -8.377 0.000) 13.088 38.226 ( 14.831 8.068 0.000) 16.883 38.576 ( 10.778 10.951 0.000) 15.365 39.310 ( 31.042 -18.638 0.000) 36.207 40.038 ( 18.224 -24.129 0.000) 30.238 ======================= Grid point 371 (113/120) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( 9.445 3.314 0.000) 10.010 4.883 ( 4.512 -2.834 0.000) 5.328 5.467 ( 22.035 25.507 -0.000) 33.707 5.541 ( 21.109 9.832 0.000) 23.286 5.909 ( 15.343 13.328 -0.000) 20.323 6.071 ( 2.620 -2.365 0.000) 3.530 6.473 ( 1.070 -10.416 0.000) 10.471 6.737 ( -11.844 -10.250 0.000) 15.663 6.992 ( -4.641 5.927 -0.000) 7.527 6.999 ( 4.427 -7.857 0.000) 9.019 7.321 ( -17.008 6.466 0.000) 18.196 7.334 ( -3.833 -7.975 0.000) 8.848 7.780 ( 1.655 -1.688 0.000) 2.364 7.988 ( -12.233 -4.811 0.000) 13.145 8.379 ( 8.112 18.727 -0.000) 20.408 8.444 ( -0.837 15.989 -0.000) 16.011 8.453 ( 2.889 10.755 0.000) 11.136 8.626 ( -4.836 2.616 0.000) 5.498 8.894 ( 8.452 -7.590 0.000) 11.360 9.184 ( -8.156 10.796 0.000) 13.531 9.370 ( 2.437 -1.551 0.000) 2.889 9.575 ( -0.782 -5.435 0.000) 5.491 9.795 ( 4.134 -11.484 0.000) 12.205 10.022 ( 11.673 9.687 0.000) 15.169 10.185 ( -0.358 -9.470 0.000) 9.477 10.365 ( -4.461 12.005 0.000) 12.807 10.560 ( 1.726 -3.676 0.000) 4.061 10.629 ( 9.060 -3.863 0.000) 9.849 10.764 ( 7.764 -3.784 0.000) 8.638 11.138 ( -1.274 4.705 0.000) 4.874 11.475 ( -2.389 -3.678 0.000) 4.386 11.590 ( -2.021 -12.363 0.000) 12.527 11.753 ( -1.300 -3.329 0.000) 3.574 12.206 ( -2.866 -10.344 0.000) 10.734 12.319 ( -5.291 -0.240 0.000) 5.296 12.450 ( 1.727 -3.642 0.000) 4.031 12.697 ( -3.127 1.412 0.000) 3.431 12.849 ( -6.654 -1.507 0.000) 6.823 13.414 ( -5.086 -7.896 0.000) 9.392 13.533 ( -8.484 -14.204 0.000) 16.545 13.968 ( -3.734 2.056 0.000) 4.263 14.165 ( -15.777 -3.567 0.000) 16.175 16.972 ( 4.587 0.183 -0.000) 4.591 17.022 ( 2.936 -0.707 0.000) 3.020 17.365 ( 1.770 0.859 0.000) 1.967 17.441 ( -0.432 -0.617 0.000) 0.753 18.447 ( -6.451 4.210 0.000) 7.704 18.550 ( -8.853 1.028 0.000) 8.912 19.372 ( -5.423 1.951 0.000) 5.763 19.451 ( -6.766 0.129 0.000) 6.767 20.728 ( 4.544 20.340 0.000) 20.842 21.099 ( -6.909 19.633 0.000) 20.813 22.025 ( 2.099 -2.986 0.000) 3.650 22.257 ( -3.833 -2.055 0.000) 4.350 26.640 ( 1.864 2.284 0.000) 2.948 26.667 ( 0.952 1.786 0.000) 2.023 26.925 ( 1.043 -4.052 0.000) 4.184 26.950 ( 0.639 -4.600 -0.000) 4.645 35.378 ( 5.685 5.827 0.000) 8.141 35.490 ( 4.823 5.159 0.000) 7.063 36.113 ( -10.007 -6.514 0.000) 11.940 36.184 ( -8.920 -6.374 0.000) 10.964 38.513 ( 12.898 10.880 0.000) 16.874 38.748 ( 5.914 12.582 0.000) 13.903 39.863 ( 23.112 -20.262 0.000) 30.737 40.306 ( 8.354 -22.923 0.000) 24.398 ======================= Grid point 373 (114/120) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.743 ( 8.732 -2.194 0.000) 9.003 4.882 ( -4.280 -5.294 0.000) 6.807 5.875 ( 12.789 1.748 -0.000) 12.907 5.906 ( 21.110 21.163 0.000) 29.891 6.064 ( -4.995 -0.783 0.000) 5.056 6.225 ( 1.322 23.566 0.000) 23.603 6.495 ( 2.720 1.706 0.000) 3.211 6.566 ( 8.446 2.792 0.000) 8.895 6.837 ( -11.062 4.125 0.000) 11.806 6.913 ( -20.928 7.324 -0.000) 22.172 7.122 ( 6.201 -6.626 0.000) 9.075 7.246 ( -5.319 -7.561 0.000) 9.245 7.768 ( -1.429 -8.319 -0.000) 8.441 7.792 ( -5.392 -6.765 0.000) 8.651 8.431 ( -1.049 3.282 0.000) 3.446 8.436 ( -0.513 9.872 0.000) 9.885 8.515 ( 5.329 11.649 -0.000) 12.810 8.588 ( -1.770 11.588 0.000) 11.722 8.998 ( 2.428 -1.000 0.000) 2.626 9.052 ( -4.286 6.885 0.000) 8.110 9.450 ( 4.300 -0.015 0.000) 4.300 9.529 ( -3.390 -1.096 0.000) 3.562 9.918 ( 7.642 -11.829 0.000) 14.083 10.083 ( -8.041 -7.636 0.000) 11.089 10.174 ( 3.796 9.610 0.000) 10.333 10.258 ( -5.234 6.162 0.000) 8.084 10.767 ( 13.168 -2.168 0.000) 13.345 10.814 ( 7.935 0.621 -0.000) 7.959 11.023 ( 10.514 -8.591 -0.000) 13.578 11.108 ( -1.672 -0.554 0.000) 1.761 11.437 ( 0.031 -7.265 0.000) 7.265 11.516 ( -5.406 -12.471 0.000) 13.592 11.806 ( 6.745 -3.876 0.000) 7.779 12.012 ( -12.363 -6.088 0.000) 13.781 12.283 ( 1.040 -6.659 0.000) 6.740 12.386 ( -7.273 -6.756 0.000) 9.927 12.664 ( 0.047 2.183 0.000) 2.184 12.711 ( -5.264 0.620 0.000) 5.301 13.338 ( -1.219 -7.407 0.000) 7.506 13.381 ( -5.421 -9.349 0.000) 10.807 13.938 ( 0.068 0.822 0.000) 0.824 13.972 ( -4.180 -0.120 0.000) 4.182 17.039 ( 2.185 0.538 -0.000) 2.250 17.058 ( 0.454 0.174 0.000) 0.487 17.391 ( 1.124 0.337 0.000) 1.174 17.418 ( -1.515 -0.193 0.000) 1.527 18.383 ( -0.444 2.557 0.000) 2.595 18.420 ( -4.059 1.516 0.000) 4.333 19.311 ( -0.615 0.478 0.000) 0.779 19.343 ( -3.640 -0.215 0.000) 3.646 20.835 ( 5.889 20.404 0.000) 21.237 20.962 ( -6.644 20.427 0.000) 21.480 22.085 ( 3.773 -3.693 0.000) 5.279 22.170 ( -4.475 -3.237 0.000) 5.523 26.668 ( 0.923 2.103 0.000) 2.297 26.677 ( 0.048 1.912 -0.000) 1.913 26.943 ( 0.765 -4.362 0.000) 4.429 26.954 ( -0.224 -4.561 -0.000) 4.567 35.493 ( 5.258 4.889 0.000) 7.180 35.553 ( 0.314 4.829 0.000) 4.839 35.981 ( -2.234 -5.582 0.000) 6.013 36.028 ( -5.962 -5.428 0.000) 8.062 38.722 ( 7.427 12.562 0.000) 14.594 38.804 ( -0.601 13.097 0.000) 13.111 40.226 ( 12.659 -20.845 0.000) 24.388 40.372 ( -1.899 -21.633 0.000) 21.716 ======================= Grid point 385 (115/120) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.303 ( 0.000 9.173 -0.384) 9.181 4.303 ( 0.000 9.173 0.384) 9.181 4.795 ( 0.000 20.425 -5.257) 21.091 4.795 ( 0.000 20.425 5.257) 21.091 5.672 ( 0.000 -13.453 -1.460) 13.532 5.672 ( 0.000 -13.453 1.460) 13.532 5.915 ( 0.000 -10.908 -6.015) 12.456 5.915 ( 0.000 -10.908 6.015) 12.456 6.926 ( 0.000 15.638 -0.363) 15.642 6.926 ( 0.000 15.638 0.363) 15.642 7.506 ( 0.000 6.934 -14.984) 16.511 7.506 ( 0.000 6.934 14.984) 16.511 7.806 ( 0.000 6.094 -2.930) 6.762 7.806 ( 0.000 6.094 2.930) 6.762 8.141 ( 0.000 -2.413 -2.355) 3.372 8.141 ( 0.000 -2.413 2.355) 3.372 8.460 ( 0.000 -29.485 -11.603) 31.686 8.460 ( 0.000 -29.485 11.603) 31.686 8.918 ( 0.000 -0.490 -4.717) 4.742 8.918 ( 0.000 -0.490 4.717) 4.742 9.470 ( 0.000 3.969 -0.460) 3.995 9.470 ( 0.000 3.969 0.460) 3.995 10.121 ( 0.000 7.171 -6.182) 9.468 10.121 ( 0.000 7.171 6.182) 9.468 10.434 ( 0.000 -0.766 -1.523) 1.704 10.434 ( 0.000 -0.766 1.523) 1.704 10.751 ( 0.000 -6.679 -4.372) 7.983 10.751 ( 0.000 -6.679 4.372) 7.983 11.305 ( 0.000 10.064 -5.575) 11.505 11.305 ( 0.000 10.064 5.575) 11.505 11.505 ( 0.000 1.885 -0.991) 2.129 11.505 ( 0.000 1.885 0.991) 2.129 11.783 ( 0.000 -5.894 -0.865) 5.957 11.783 ( 0.000 -5.894 0.865) 5.957 12.100 ( 0.000 -3.972 -5.271) 6.599 12.100 ( 0.000 -3.972 5.271) 6.599 13.365 ( 0.000 3.060 -8.852) 9.366 13.365 ( 0.000 3.060 8.852) 9.366 13.472 ( 0.000 -7.262 -9.524) 11.977 13.472 ( 0.000 -7.262 9.524) 11.977 14.909 ( 0.000 1.579 -0.212) 1.593 14.909 ( 0.000 1.579 0.212) 1.593 16.763 ( 0.000 2.390 -2.667) 3.581 16.763 ( 0.000 2.390 2.667) 3.581 17.083 ( 0.000 -1.046 -2.654) 2.853 17.083 ( 0.000 -1.046 2.654) 2.853 19.623 ( 0.000 1.527 -0.004) 1.527 19.623 ( 0.000 1.527 0.004) 1.527 19.925 ( 0.000 0.074 -0.386) 0.393 19.925 ( 0.000 0.074 0.386) 0.393 21.542 ( 0.000 13.529 -13.405) 19.045 21.542 ( 0.000 13.529 13.405) 19.045 21.992 ( 0.000 -6.236 -6.373) 8.917 21.992 ( 0.000 -6.236 6.373) 8.917 26.521 ( 0.000 0.952 -0.036) 0.952 26.521 ( 0.000 0.952 0.036) 0.952 26.812 ( 0.000 -1.246 -0.678) 1.418 26.812 ( 0.000 -1.246 0.678) 1.418 35.402 ( 0.000 6.263 -7.834) 10.029 35.402 ( 0.000 6.263 7.834) 10.029 36.663 ( 0.000 -11.273 -12.831) 17.080 36.663 ( 0.000 -11.273 12.831) 17.080 37.867 ( 0.000 1.541 -2.107) 2.610 37.867 ( 0.000 1.541 2.107) 2.610 38.227 ( 0.000 -3.135 -2.983) 4.327 38.227 ( 0.000 -3.135 2.983) 4.327 ======================= Grid point 387 (116/120) ======================= q-point: ( 0.09 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.348 ( 6.478 12.740 0.000) 14.292 4.470 ( 11.151 2.897 0.000) 11.521 4.813 ( 4.823 19.565 0.000) 20.150 4.867 ( 6.217 19.417 -0.000) 20.388 5.570 ( -3.156 -5.314 0.000) 6.181 5.778 ( 4.529 -9.755 -0.000) 10.755 5.859 ( -0.826 -14.125 -0.000) 14.150 6.009 ( 5.397 -15.923 0.000) 16.813 6.985 ( 2.576 6.817 -0.000) 7.288 6.991 ( 4.257 6.500 0.000) 7.770 7.444 ( 1.584 14.357 -0.000) 14.444 7.555 ( 1.409 7.121 0.000) 7.259 7.849 ( 8.913 12.073 0.000) 15.007 7.878 ( 0.398 8.868 0.000) 8.877 8.181 ( 3.556 2.098 0.000) 4.129 8.195 ( 6.184 -6.202 -0.000) 8.758 8.457 ( 1.389 -29.065 0.000) 29.098 8.507 ( 3.120 -18.487 -0.000) 18.748 8.886 ( -2.214 1.382 0.000) 2.610 8.947 ( 2.413 -10.407 -0.000) 10.683 9.524 ( 5.369 2.853 -0.000) 6.080 9.528 ( 4.304 3.118 0.000) 5.315 9.950 ( -13.800 5.759 -0.000) 14.954 10.013 ( -11.265 2.846 0.000) 11.619 10.336 ( -6.926 4.437 0.000) 8.226 10.457 ( -1.230 -2.059 0.000) 2.398 10.726 ( -2.550 -6.423 0.000) 6.911 10.736 ( -1.603 -5.411 -0.000) 5.643 11.214 ( -3.289 14.484 -0.000) 14.852 11.425 ( 2.125 -4.798 0.000) 5.247 11.497 ( 5.877 14.883 -0.000) 16.001 11.612 ( 6.027 5.215 0.000) 7.970 11.770 ( 2.812 -2.687 0.000) 3.890 11.883 ( 5.745 -13.458 0.000) 14.633 12.031 ( -5.170 -3.431 0.000) 6.205 12.065 ( -4.581 -7.181 -0.000) 8.518 13.167 ( -10.786 6.135 0.000) 12.408 13.297 ( -10.339 -6.564 0.000) 12.247 13.460 ( 1.820 0.201 0.000) 1.831 13.541 ( 0.782 -7.596 0.000) 7.636 14.806 ( -7.675 6.855 0.000) 10.291 14.919 ( -2.899 -4.009 0.000) 4.947 16.720 ( -0.553 4.533 0.000) 4.566 16.791 ( 0.834 -2.033 0.000) 2.197 17.124 ( 5.224 2.281 0.000) 5.700 17.177 ( 6.268 -2.555 0.000) 6.768 19.439 ( -14.426 3.224 0.000) 14.782 19.491 ( -14.603 -1.723 0.000) 14.704 19.886 ( -3.357 1.309 0.000) 3.604 19.897 ( -4.049 0.205 0.000) 4.054 21.279 ( -12.055 19.827 0.000) 23.204 21.564 ( -6.589 -5.001 0.000) 8.272 22.010 ( 6.182 6.213 0.000) 8.765 22.162 ( 7.593 -6.162 0.000) 9.779 26.537 ( 1.905 1.713 0.000) 2.562 26.554 ( 2.529 0.234 0.000) 2.540 26.816 ( 0.407 -1.286 -0.000) 1.349 26.817 ( 0.483 -1.429 0.000) 1.509 35.390 ( -0.338 7.091 -0.000) 7.099 35.418 ( 0.834 4.756 0.000) 4.828 36.558 ( -7.175 -6.901 -0.000) 9.955 36.614 ( -7.039 -12.956 0.000) 14.745 37.867 ( 5.184 4.210 0.000) 6.678 37.968 ( 9.006 -5.554 0.000) 10.581 38.327 ( 15.778 11.560 0.000) 19.560 38.602 ( 24.255 -15.185 0.000) 28.616 ======================= Grid point 389 (117/120) ======================= q-point: ( 0.18 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.482 ( 5.357 11.933 0.000) 13.080 4.636 ( 4.958 -1.103 0.000) 5.080 5.068 ( 19.498 16.205 -0.000) 25.353 5.084 ( 15.287 18.365 0.000) 23.895 5.588 ( 5.567 0.471 0.000) 5.587 5.856 ( 3.876 4.905 0.000) 6.252 5.906 ( 5.269 -24.846 -0.000) 25.398 6.137 ( 7.411 -18.413 0.000) 19.848 6.962 ( -3.866 -1.019 -0.000) 3.998 7.010 ( -1.577 -6.670 0.000) 6.854 7.586 ( 7.736 11.094 -0.000) 13.525 7.615 ( 2.880 7.521 0.000) 8.054 7.838 ( -1.518 19.040 0.000) 19.101 8.099 ( 11.764 0.260 0.000) 11.766 8.266 ( 6.935 15.928 0.000) 17.373 8.371 ( 10.277 -7.312 0.000) 12.612 8.530 ( 5.273 -17.671 0.000) 18.441 8.577 ( 3.595 2.186 -0.000) 4.207 8.841 ( -1.779 3.364 0.000) 3.806 9.024 ( 5.223 -21.910 0.000) 22.524 9.605 ( 1.918 3.926 -0.000) 4.370 9.613 ( -10.595 3.248 0.000) 11.081 9.680 ( 2.781 -4.060 0.000) 4.921 9.732 ( -14.072 -4.457 -0.000) 14.762 10.168 ( -8.810 10.944 0.000) 14.050 10.384 ( -5.401 -5.412 0.000) 7.645 10.652 ( -4.635 -3.855 0.000) 6.029 10.677 ( -4.288 -4.550 -0.000) 6.253 11.158 ( -2.781 17.929 -0.000) 18.143 11.425 ( -0.519 -4.310 0.000) 4.341 11.595 ( -2.910 14.110 -0.000) 14.407 11.674 ( -0.897 8.353 0.000) 8.401 11.886 ( -1.824 1.761 0.000) 2.535 11.916 ( 1.266 -8.889 0.000) 8.979 11.974 ( 6.347 -13.315 0.000) 14.750 12.058 ( 8.076 -14.659 -0.000) 16.736 12.967 ( -8.456 6.975 0.000) 10.961 13.090 ( -9.508 -4.991 0.000) 10.738 13.455 ( -1.838 -1.238 0.000) 2.216 13.519 ( -2.608 -7.581 0.000) 8.017 14.582 ( -14.407 9.390 0.000) 17.197 14.758 ( -13.252 -7.426 0.000) 15.191 16.762 ( 4.494 3.483 0.000) 5.686 16.830 ( 3.282 -2.882 0.000) 4.368 17.246 ( 5.990 2.887 0.000) 6.649 17.303 ( 5.651 -2.435 0.000) 6.154 19.103 ( -17.520 1.292 0.000) 17.567 19.116 ( -20.292 0.142 0.000) 20.292 19.766 ( -8.474 1.420 0.000) 8.592 19.777 ( -7.302 0.449 0.000) 7.316 21.109 ( -4.855 19.881 0.000) 20.465 21.426 ( -5.718 -9.202 0.000) 10.834 22.098 ( 1.677 9.253 0.000) 9.403 22.260 ( 1.983 -5.357 0.000) 5.713 26.588 ( 2.881 2.110 0.000) 3.571 26.612 ( 2.921 0.064 0.000) 2.922 26.828 ( 0.732 -1.433 -0.000) 1.609 26.831 ( 0.934 -1.893 0.000) 2.111 35.393 ( 0.757 6.898 0.000) 6.939 35.439 ( 1.440 3.001 0.000) 3.329 36.398 ( -8.364 -5.459 -0.000) 9.988 36.422 ( -10.742 -8.314 0.000) 13.583 38.079 ( 15.051 7.643 0.000) 16.880 38.266 ( 18.834 -10.102 0.000) 21.373 38.727 ( 22.219 15.339 0.000) 26.999 39.108 ( 24.455 -20.996 0.000) 32.232 ======================= Grid point 391 (118/120) ======================= q-point: ( 0.27 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.565 ( 3.541 8.886 0.000) 9.566 4.718 ( 3.558 -4.803 0.000) 5.977 5.430 ( 17.443 16.067 -0.000) 23.715 5.489 ( 20.372 13.525 0.000) 24.452 5.789 ( 13.681 3.869 0.000) 14.218 5.960 ( 6.372 -2.476 0.000) 6.836 6.058 ( 9.967 -9.093 -0.000) 13.492 6.309 ( 9.358 -18.868 0.000) 21.062 6.890 ( -2.358 -1.286 0.000) 2.686 6.976 ( -1.408 -10.058 0.000) 10.156 7.564 ( -7.485 9.205 0.000) 11.864 7.612 ( -3.900 3.929 0.000) 5.536 7.884 ( 1.676 12.268 0.000) 12.382 8.111 ( -7.050 -9.362 0.000) 11.720 8.547 ( 3.384 -2.714 0.000) 4.337 8.573 ( 13.766 6.749 0.000) 15.331 8.604 ( 4.269 6.900 -0.000) 8.114 8.666 ( 6.898 9.501 0.000) 11.740 8.829 ( 0.834 12.735 0.000) 12.762 9.155 ( 7.623 -16.746 0.000) 18.399 9.393 ( -5.191 -4.712 0.000) 7.011 9.427 ( -10.161 -4.325 0.000) 11.043 9.676 ( -0.067 2.720 0.000) 2.721 9.842 ( 7.492 -12.473 0.000) 14.550 10.051 ( 0.191 12.702 0.000) 12.704 10.303 ( 0.220 -8.580 0.000) 8.583 10.547 ( -5.285 -2.042 0.000) 5.665 10.571 ( -5.630 -3.363 0.000) 6.558 11.077 ( -5.913 19.692 0.000) 20.561 11.400 ( -9.681 10.648 0.000) 14.392 11.415 ( -3.023 -11.429 -0.000) 11.822 11.557 ( -8.614 -2.341 0.000) 8.926 11.798 ( -2.604 3.956 0.000) 4.736 11.975 ( 1.362 -10.193 0.000) 10.283 12.222 ( 11.791 -4.044 0.000) 12.465 12.242 ( 8.175 -7.282 0.000) 10.948 12.835 ( -4.731 5.395 0.000) 7.176 12.929 ( -6.435 -3.516 0.000) 7.333 13.397 ( -3.873 -1.964 0.000) 4.343 13.442 ( -4.978 -6.671 0.000) 8.324 14.263 ( -15.576 7.606 0.000) 17.334 14.418 ( -18.746 -7.185 0.000) 20.076 16.876 ( 6.023 1.760 0.000) 6.274 16.915 ( 4.725 -1.925 0.000) 5.102 17.345 ( 3.623 2.302 0.000) 4.292 17.391 ( 2.910 -1.989 0.000) 3.525 18.746 ( -15.226 2.452 0.000) 15.422 18.778 ( -14.019 -0.654 0.000) 14.034 19.580 ( -9.378 2.155 0.000) 9.622 19.609 ( -8.848 -0.586 0.000) 8.867 21.068 ( 0.303 17.797 0.000) 17.800 21.343 ( -2.809 -6.940 0.000) 7.487 22.087 ( -2.081 8.716 0.000) 8.961 22.250 ( -2.542 -5.751 0.000) 6.288 26.644 ( 2.533 2.133 0.000) 3.311 26.664 ( 2.168 0.424 0.000) 2.209 26.844 ( 0.815 -1.607 0.000) 1.802 26.852 ( 1.008 -2.464 0.000) 2.662 35.426 ( 2.658 6.142 0.000) 6.692 35.483 ( 3.004 1.373 0.000) 3.302 36.208 ( -10.193 -3.917 -0.000) 10.920 36.227 ( -8.490 -5.165 0.000) 9.937 38.426 ( 18.017 11.127 0.000) 21.176 38.647 ( 17.350 -7.364 0.000) 18.848 39.186 ( 22.590 9.791 0.000) 24.621 39.550 ( 18.774 -22.151 0.000) 29.036 ======================= Grid point 393 (119/120) ======================= q-point: ( 0.36 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.640 ( 3.913 5.254 0.000) 6.551 4.771 ( 1.464 -6.920 0.000) 7.073 5.738 ( 12.325 9.378 -0.000) 15.487 5.841 ( 13.340 5.098 0.000) 14.281 6.108 ( 8.602 5.552 -0.000) 10.238 6.131 ( 20.216 5.698 0.000) 21.004 6.314 ( 15.387 -0.188 0.000) 15.389 6.477 ( 5.970 -11.925 -0.000) 13.336 6.879 ( 1.183 -2.734 0.000) 2.979 6.951 ( -1.336 -8.739 0.000) 8.840 7.377 ( -10.439 8.762 0.000) 13.629 7.442 ( -12.849 3.204 0.000) 13.242 7.817 ( -7.408 3.626 -0.000) 8.248 7.901 ( -12.291 -4.133 0.000) 12.968 8.502 ( -5.139 0.377 0.000) 5.152 8.569 ( -3.057 -4.045 -0.000) 5.070 8.724 ( -0.285 10.304 0.000) 10.308 8.779 ( 2.440 5.535 0.000) 6.049 8.974 ( 10.587 17.609 0.000) 20.547 9.310 ( 3.769 -8.478 0.000) 9.277 9.330 ( 1.963 0.562 0.000) 2.042 9.410 ( 4.454 -7.707 0.000) 8.902 9.623 ( -2.766 3.695 0.000) 4.616 9.878 ( -3.296 -16.018 0.000) 16.354 10.225 ( 12.574 10.101 0.000) 16.128 10.436 ( 1.588 -8.059 0.000) 8.214 10.507 ( 2.664 -1.334 0.000) 2.979 10.520 ( 12.381 -3.195 0.000) 12.786 10.930 ( -6.710 15.840 0.000) 17.203 11.186 ( -9.165 -4.718 -0.000) 10.308 11.398 ( -0.464 -2.740 0.000) 2.779 11.431 ( -3.342 -1.936 -0.000) 3.862 11.751 ( -2.251 4.182 0.000) 4.749 11.941 ( -4.371 -13.086 0.000) 13.797 12.312 ( -1.963 0.516 0.000) 2.029 12.360 ( 0.574 -4.006 0.000) 4.047 12.759 ( -3.319 3.429 0.000) 4.773 12.816 ( -5.300 -2.045 0.000) 5.681 13.303 ( -4.919 -2.420 0.000) 5.482 13.330 ( -5.496 -5.349 0.000) 7.669 14.024 ( -7.171 3.192 0.000) 7.849 14.094 ( -11.454 -3.440 0.000) 11.959 16.984 ( 4.502 0.906 0.000) 4.592 17.005 ( 3.816 -0.958 0.000) 3.935 17.391 ( 1.041 1.468 0.000) 1.799 17.421 ( 0.177 -1.317 0.000) 1.329 18.517 ( -7.675 2.511 0.000) 8.076 18.551 ( -8.392 -0.817 0.000) 8.432 19.413 ( -6.626 1.856 0.000) 6.881 19.443 ( -7.103 -0.938 0.000) 7.165 21.105 ( 3.040 15.217 0.000) 15.518 21.299 ( -1.988 -1.407 0.000) 2.436 22.042 ( -1.753 5.232 0.000) 5.518 22.175 ( -4.457 -5.877 0.000) 7.375 26.687 ( 1.678 1.935 0.000) 2.562 26.698 ( 1.247 0.936 0.000) 1.559 26.859 ( 0.650 -1.867 0.000) 1.977 26.868 ( 0.562 -2.772 0.000) 2.828 35.499 ( 4.469 5.330 0.000) 6.956 35.558 ( 4.265 0.456 0.000) 4.290 36.018 ( -8.439 -1.598 -0.000) 8.589 36.061 ( -7.888 -4.918 0.000) 9.296 38.761 ( 14.387 12.365 0.000) 18.971 38.926 ( 9.925 0.502 0.000) 9.937 39.604 ( 18.008 -0.498 0.000) 18.015 39.849 ( 10.591 -19.862 0.000) 22.509 ======================= Grid point 395 (120/120) ======================= q-point: ( 0.45 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.717 ( 3.497 0.350 0.000) 3.514 4.770 ( -1.515 -4.639 0.000) 4.880 5.926 ( 6.478 2.882 0.000) 7.090 5.985 ( 1.278 -2.712 0.000) 2.998 6.313 ( 10.418 12.357 -0.000) 16.162 6.454 ( -0.289 -2.628 0.000) 2.644 6.625 ( 19.193 10.672 0.000) 21.961 6.653 ( 16.792 5.512 0.000) 17.673 6.895 ( -5.692 -0.697 -0.000) 5.735 6.913 ( -0.291 -4.449 0.000) 4.459 7.130 ( -15.030 3.373 -0.000) 15.404 7.149 ( -11.175 -0.925 0.000) 11.214 7.671 ( -4.585 -1.240 0.000) 4.749 7.690 ( -6.699 -2.853 0.000) 7.281 8.431 ( -0.626 -0.185 0.000) 0.652 8.481 ( -4.671 -3.687 0.000) 5.951 8.738 ( 1.765 7.980 0.000) 8.172 8.778 ( -1.729 4.505 0.000) 4.826 9.141 ( 6.624 12.628 0.000) 14.259 9.258 ( -4.757 7.894 0.000) 9.216 9.440 ( 3.909 0.072 0.000) 3.909 9.473 ( 0.767 -2.905 0.000) 3.005 9.643 ( 4.660 -9.175 0.000) 10.291 9.769 ( -6.731 -15.676 0.000) 17.060 10.347 ( 2.762 5.523 0.000) 6.175 10.408 ( -2.642 0.997 0.000) 2.824 10.753 ( 13.391 1.172 0.000) 13.442 10.791 ( 7.614 -1.286 -0.000) 7.722 10.917 ( 5.614 0.244 -0.000) 5.619 11.026 ( -6.769 -7.120 0.000) 9.825 11.400 ( 0.580 0.627 0.000) 0.854 11.404 ( 0.033 1.594 -0.000) 1.594 11.730 ( 1.264 -1.688 0.000) 2.109 11.822 ( -6.606 -9.744 0.000) 11.772 12.206 ( -4.948 -0.621 0.000) 4.987 12.251 ( -8.303 -4.929 0.000) 9.655 12.712 ( -0.885 1.845 0.000) 2.046 12.728 ( -2.632 0.310 0.000) 2.650 13.235 ( -1.391 -2.375 0.000) 2.752 13.246 ( -2.450 -3.573 0.000) 4.332 13.956 ( -0.728 0.805 0.000) 1.085 13.968 ( -2.236 -0.334 0.000) 2.261 17.051 ( 1.971 0.520 0.000) 2.039 17.058 ( 1.285 -0.162 0.000) 1.295 17.400 ( 0.244 0.519 0.000) 0.574 17.411 ( -0.799 -0.495 0.000) 0.940 18.424 ( -1.837 1.327 0.000) 2.266 18.437 ( -3.076 0.113 0.000) 3.078 19.325 ( -1.909 0.735 0.000) 2.045 19.338 ( -3.061 -0.409 0.000) 3.089 21.177 ( 3.876 11.569 0.000) 12.201 21.249 ( -3.047 5.743 0.000) 6.502 22.034 ( 1.179 -0.189 0.000) 1.194 22.088 ( -3.847 -4.325 0.000) 5.788 26.711 ( 0.670 1.679 0.000) 1.807 26.714 ( 0.336 1.366 -0.000) 1.406 26.870 ( 0.389 -2.276 0.000) 2.309 26.874 ( -0.006 -2.667 -0.000) 2.667 35.596 ( 4.499 4.440 0.000) 6.321 35.632 ( 1.857 1.776 0.000) 2.569 35.888 ( -3.323 -2.238 -0.000) 4.006 35.920 ( -5.476 -4.465 0.000) 7.066 38.982 ( 7.121 10.876 0.000) 13.000 39.040 ( 1.359 6.947 0.000) 7.079 39.883 ( 9.251 -9.041 0.000) 12.935 39.967 ( 0.950 -15.318 0.000) 15.348 =================== 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 3/39204 10.0 1085.713 2734.002 2413.067 0.000 0.000 -0.000 3/39204 20.0 2407.266 3111.801 3310.051 0.000 0.000 -0.000 3/39204 30.0 1441.481 1466.435 1652.340 0.000 0.000 0.000 3/39204 40.0 708.188 680.314 742.640 0.000 0.000 0.000 3/39204 50.0 365.115 335.094 355.283 0.000 0.000 0.000 3/39204 60.0 214.542 188.952 195.291 0.000 0.000 0.000 3/39204 70.0 141.451 120.856 121.536 0.000 0.000 0.000 3/39204 80.0 101.535 85.147 83.176 0.000 0.000 0.000 3/39204 90.0 77.501 64.380 61.109 0.000 0.000 0.000 3/39204 100.0 61.887 51.241 47.350 0.000 0.000 0.000 3/39204 110.0 51.127 42.349 38.204 0.000 0.000 0.000 3/39204 120.0 43.361 36.002 31.802 0.000 0.000 0.000 3/39204 130.0 37.542 31.275 27.130 0.000 0.000 0.000 3/39204 140.0 33.049 27.632 23.601 0.000 0.000 0.000 3/39204 150.0 29.491 24.748 20.859 0.000 0.000 0.000 3/39204 160.0 26.613 22.411 18.676 0.000 0.000 0.000 3/39204 170.0 24.244 20.482 16.902 0.000 0.000 0.000 3/39204 180.0 22.263 18.865 15.436 0.000 0.000 0.000 3/39204 190.0 20.584 17.490 14.206 0.000 0.000 0.000 3/39204 200.0 19.146 16.308 13.161 0.000 0.000 0.000 3/39204 210.0 17.899 15.282 12.262 0.000 0.000 0.000 3/39204 220.0 16.810 14.381 11.482 0.000 0.000 0.000 3/39204 230.0 15.851 13.586 10.798 0.000 0.000 0.000 3/39204 240.0 14.999 12.879 10.194 0.000 0.000 0.000 3/39204 250.0 14.238 12.245 9.656 0.000 0.000 0.000 3/39204 260.0 13.555 11.675 9.175 0.000 0.000 0.000 3/39204 270.0 12.937 11.158 8.742 0.000 0.000 0.000 3/39204 280.0 12.377 10.688 8.350 0.000 0.000 0.000 3/39204 290.0 11.866 10.259 7.994 0.000 0.000 0.000 3/39204 300.0 11.398 9.865 7.668 0.000 0.000 0.000 3/39204 310.0 10.968 9.503 7.370 0.000 0.000 0.000 3/39204 320.0 10.572 9.168 7.095 0.000 0.000 0.000 3/39204 330.0 10.205 8.858 6.841 0.000 0.000 0.000 3/39204 340.0 9.865 8.569 6.606 0.000 0.000 0.000 3/39204 350.0 9.549 8.301 6.387 0.000 0.000 0.000 3/39204 360.0 9.253 8.050 6.184 0.000 0.000 0.000 3/39204 370.0 8.977 7.815 5.993 0.000 0.000 0.000 3/39204 380.0 8.719 7.594 5.815 0.000 0.000 0.000 3/39204 390.0 8.476 7.387 5.648 0.000 0.000 0.000 3/39204 400.0 8.247 7.191 5.491 0.000 0.000 0.000 3/39204 410.0 8.032 7.007 5.343 0.000 0.000 0.000 3/39204 420.0 7.828 6.833 5.203 0.000 0.000 0.000 3/39204 430.0 7.636 6.667 5.071 0.000 0.000 0.000 3/39204 440.0 7.453 6.510 4.946 0.000 0.000 0.000 3/39204 450.0 7.280 6.361 4.827 0.000 0.000 0.000 3/39204 460.0 7.115 6.220 4.714 0.000 0.000 0.000 3/39204 470.0 6.958 6.085 4.607 0.000 0.000 0.000 3/39204 480.0 6.809 5.956 4.505 0.000 0.000 0.000 3/39204 490.0 6.667 5.833 4.407 0.000 0.000 0.000 3/39204 500.0 6.530 5.715 4.314 0.000 0.000 0.000 3/39204 510.0 6.400 5.602 4.225 0.000 0.000 0.000 3/39204 520.0 6.275 5.494 4.140 0.000 0.000 0.000 3/39204 530.0 6.156 5.391 4.058 0.000 0.000 0.000 3/39204 540.0 6.041 5.292 3.980 0.000 0.000 0.000 3/39204 550.0 5.931 5.196 3.905 0.000 0.000 0.000 3/39204 560.0 5.825 5.104 3.832 0.000 0.000 0.000 3/39204 570.0 5.723 5.016 3.763 0.000 0.000 0.000 3/39204 580.0 5.625 4.930 3.696 0.000 0.000 0.000 3/39204 590.0 5.531 4.848 3.632 0.000 0.000 0.000 3/39204 600.0 5.440 4.769 3.569 0.000 0.000 0.000 3/39204 610.0 5.352 4.692 3.510 0.000 0.000 0.000 3/39204 620.0 5.267 4.618 3.452 0.000 0.000 0.000 3/39204 630.0 5.185 4.547 3.396 0.000 0.000 0.000 3/39204 640.0 5.106 4.477 3.342 0.000 0.000 0.000 3/39204 650.0 5.029 4.410 3.290 0.000 0.000 0.000 3/39204 660.0 4.954 4.346 3.239 0.000 0.000 0.000 3/39204 670.0 4.882 4.283 3.190 0.000 0.000 0.000 3/39204 680.0 4.813 4.222 3.143 0.000 0.000 0.000 3/39204 690.0 4.745 4.162 3.097 0.000 0.000 0.000 3/39204 700.0 4.679 4.105 3.052 0.000 0.000 0.000 3/39204 710.0 4.615 4.049 3.009 0.000 0.000 0.000 3/39204 720.0 4.553 3.995 2.967 0.000 0.000 0.000 3/39204 730.0 4.493 3.942 2.926 0.000 0.000 0.000 3/39204 740.0 4.434 3.891 2.886 0.000 0.000 0.000 3/39204 750.0 4.377 3.841 2.848 0.000 0.000 0.000 3/39204 760.0 4.322 3.792 2.810 0.000 0.000 0.000 3/39204 770.0 4.268 3.745 2.774 0.000 0.000 0.000 3/39204 780.0 4.215 3.699 2.738 0.000 0.000 0.000 3/39204 790.0 4.164 3.654 2.704 0.000 0.000 0.000 3/39204 800.0 4.114 3.610 2.670 0.000 0.000 0.000 3/39204 810.0 4.066 3.567 2.637 0.000 0.000 0.000 3/39204 820.0 4.018 3.526 2.605 0.000 0.000 0.000 3/39204 830.0 3.972 3.485 2.574 0.000 0.000 0.000 3/39204 840.0 3.927 3.445 2.543 0.000 0.000 0.000 3/39204 850.0 3.882 3.407 2.514 0.000 0.000 0.000 3/39204 860.0 3.839 3.369 2.485 0.000 0.000 0.000 3/39204 870.0 3.797 3.332 2.456 0.000 0.000 0.000 3/39204 880.0 3.756 3.296 2.429 0.000 0.000 0.000 3/39204 890.0 3.716 3.260 2.401 0.000 0.000 0.000 3/39204 900.0 3.676 3.226 2.375 0.000 0.000 0.000 3/39204 910.0 3.638 3.192 2.349 0.000 0.000 0.000 3/39204 920.0 3.600 3.159 2.324 0.000 0.000 0.000 3/39204 930.0 3.563 3.126 2.299 0.000 0.000 0.000 3/39204 940.0 3.527 3.095 2.275 0.000 0.000 0.000 3/39204 950.0 3.492 3.064 2.251 0.000 0.000 0.000 3/39204 960.0 3.457 3.033 2.228 0.000 0.000 0.000 3/39204 970.0 3.423 3.003 2.205 0.000 0.000 0.000 3/39204 980.0 3.390 2.974 2.183 0.000 0.000 0.000 3/39204 990.0 3.358 2.945 2.161 0.000 0.000 0.000 3/39204 1000.0 3.326 2.917 2.140 0.000 0.000 0.000 3/39204 Thermal conductivity related properties were written into "kappa-m1196.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:39:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|