----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:46:04]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.658144270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.822433160000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.437242270000000 Atomic positions (fractional): *1 Yb 0.05784225331551 0.25000000000000 0.48226956899437 173.054 2 Yb 0.44215774668449 0.75000000000000 0.98226956899437 173.054 3 Yb 0.55784225331551 0.25000000000000 0.01773043100563 173.054 4 Yb 0.94215774668449 0.75000000000000 0.51773043100563 173.054 *5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 7 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 8 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 *9 O 0.04328082273508 0.75000000000000 0.11420263162569 15.999 *10 O 0.19907410586113 0.56087768235722 0.69602785293899 15.999 11 O 0.19907410586113 0.93912231764278 0.69602785293899 15.999 12 O 0.30092589413887 0.06087768235722 0.19602785293899 15.999 13 O 0.30092589413887 0.43912231764278 0.19602785293899 15.999 14 O 0.45671917726492 0.25000000000000 0.61420263162569 15.999 15 O 0.54328082273508 0.75000000000000 0.38579736837431 15.999 16 O 0.69907410586113 0.56087768235722 0.80397214706101 15.999 17 O 0.69907410586113 0.93912231764278 0.80397214706101 15.999 18 O 0.80092589413887 0.06087768235722 0.30397214706101 15.999 19 O 0.80092589413887 0.43912231764278 0.30397214706101 15.999 20 O 0.95671917726492 0.25000000000000 0.88579736837431 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.658144270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.822433160000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.437242270000000 Atomic positions (fractional): *1 Yb 0.05784225331551 0.25000000000000 0.48226956899437 173.054 > 1 2 Yb 0.44215774668449 0.75000000000000 0.98226956899437 173.054 > 2 3 Yb 0.55784225331551 0.25000000000000 0.01773043100563 173.054 > 3 4 Yb 0.94215774668449 0.75000000000000 0.51773043100563 173.054 > 4 *5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 6 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 6 7 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 7 8 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 8 *9 O 0.04328082273508 0.75000000000000 0.11420263162569 15.999 > 9 *10 O 0.19907410586113 0.56087768235722 0.69602785293899 15.999 > 10 11 O 0.19907410586113 0.93912231764278 0.69602785293899 15.999 > 11 12 O 0.30092589413887 0.06087768235722 0.19602785293899 15.999 > 12 13 O 0.30092589413887 0.43912231764278 0.19602785293899 15.999 > 13 14 O 0.45671917726492 0.25000000000000 0.61420263162569 15.999 > 14 15 O 0.54328082273508 0.75000000000000 0.38579736837431 15.999 > 15 16 O 0.69907410586113 0.56087768235722 0.80397214706101 15.999 > 16 17 O 0.69907410586113 0.93912231764278 0.80397214706101 15.999 > 17 18 O 0.80092589413887 0.06087768235722 0.30397214706101 15.999 > 18 19 O 0.80092589413887 0.43912231764278 0.30397214706101 15.999 > 19 20 O 0.95671917726492 0.25000000000000 0.88579736837431 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.316288540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.822433160000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.874484539999999 Atomic positions (fractional): *1 Yb 0.02892112665775 0.25000000000000 0.24113478449718 173.054 > 1 2 Yb 0.52892112665775 0.25000000000000 0.24113478449718 173.054 > 1 3 Yb 0.02892112665775 0.25000000000000 0.74113478449718 173.054 > 1 4 Yb 0.52892112665775 0.25000000000000 0.74113478449718 173.054 > 1 5 Yb 0.22107887334225 0.75000000000000 0.49113478449718 173.054 > 2 6 Yb 0.72107887334225 0.75000000000000 0.49113478449718 173.054 > 2 7 Yb 0.22107887334225 0.75000000000000 0.99113478449718 173.054 > 2 8 Yb 0.72107887334225 0.75000000000000 0.99113478449718 173.054 > 2 9 Yb 0.27892112665775 0.25000000000000 0.00886521550282 173.054 > 3 10 Yb 0.77892112665775 0.25000000000000 0.00886521550282 173.054 > 3 11 Yb 0.27892112665775 0.25000000000000 0.50886521550282 173.054 > 3 12 Yb 0.77892112665775 0.25000000000000 0.50886521550282 173.054 > 3 13 Yb 0.47107887334225 0.75000000000000 0.25886521550282 173.054 > 4 14 Yb 0.97107887334225 0.75000000000000 0.25886521550282 173.054 > 4 15 Yb 0.47107887334225 0.75000000000000 0.75886521550282 173.054 > 4 16 Yb 0.97107887334225 0.75000000000000 0.75886521550282 173.054 > 4 *17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 18 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 5 19 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 5 20 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 5 21 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 6 22 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 6 23 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 6 24 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 6 25 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 7 26 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 7 27 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 7 28 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 7 29 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 8 30 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 8 31 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 8 32 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 8 *33 O 0.02164041136754 0.75000000000000 0.05710131581284 15.999 > 9 34 O 0.52164041136754 0.75000000000000 0.05710131581284 15.999 > 9 35 O 0.02164041136754 0.75000000000000 0.55710131581284 15.999 > 9 36 O 0.52164041136754 0.75000000000000 0.55710131581284 15.999 > 9 *37 O 0.09953705293057 0.56087768235722 0.34801392646950 15.999 > 10 38 O 0.59953705293057 0.56087768235722 0.34801392646950 15.999 > 10 39 O 0.09953705293057 0.56087768235722 0.84801392646950 15.999 > 10 40 O 0.59953705293057 0.56087768235722 0.84801392646950 15.999 > 10 41 O 0.09953705293057 0.93912231764278 0.34801392646950 15.999 > 11 42 O 0.59953705293057 0.93912231764278 0.34801392646950 15.999 > 11 43 O 0.09953705293057 0.93912231764278 0.84801392646950 15.999 > 11 44 O 0.59953705293057 0.93912231764278 0.84801392646950 15.999 > 11 45 O 0.15046294706943 0.06087768235722 0.09801392646949 15.999 > 12 46 O 0.65046294706943 0.06087768235722 0.09801392646949 15.999 > 12 47 O 0.15046294706943 0.06087768235722 0.59801392646950 15.999 > 12 48 O 0.65046294706943 0.06087768235722 0.59801392646950 15.999 > 12 49 O 0.15046294706943 0.43912231764278 0.09801392646949 15.999 > 13 50 O 0.65046294706943 0.43912231764278 0.09801392646949 15.999 > 13 51 O 0.15046294706943 0.43912231764278 0.59801392646950 15.999 > 13 52 O 0.65046294706943 0.43912231764278 0.59801392646950 15.999 > 13 53 O 0.22835958863246 0.25000000000000 0.30710131581284 15.999 > 14 54 O 0.72835958863246 0.25000000000000 0.30710131581284 15.999 > 14 55 O 0.22835958863246 0.25000000000000 0.80710131581284 15.999 > 14 56 O 0.72835958863246 0.25000000000000 0.80710131581284 15.999 > 14 57 O 0.27164041136754 0.75000000000000 0.19289868418716 15.999 > 15 58 O 0.77164041136754 0.75000000000000 0.19289868418716 15.999 > 15 59 O 0.27164041136754 0.75000000000000 0.69289868418716 15.999 > 15 60 O 0.77164041136754 0.75000000000000 0.69289868418716 15.999 > 15 61 O 0.34953705293057 0.56087768235722 0.40198607353050 15.999 > 16 62 O 0.84953705293057 0.56087768235722 0.40198607353050 15.999 > 16 63 O 0.34953705293057 0.56087768235722 0.90198607353050 15.999 > 16 64 O 0.84953705293057 0.56087768235722 0.90198607353050 15.999 > 16 65 O 0.34953705293057 0.93912231764278 0.40198607353050 15.999 > 17 66 O 0.84953705293057 0.93912231764278 0.40198607353050 15.999 > 17 67 O 0.34953705293057 0.93912231764278 0.90198607353050 15.999 > 17 68 O 0.84953705293057 0.93912231764278 0.90198607353050 15.999 > 17 69 O 0.40046294706943 0.06087768235722 0.15198607353051 15.999 > 18 70 O 0.90046294706943 0.06087768235722 0.15198607353051 15.999 > 18 71 O 0.40046294706943 0.06087768235722 0.65198607353050 15.999 > 18 72 O 0.90046294706943 0.06087768235722 0.65198607353050 15.999 > 18 73 O 0.40046294706943 0.43912231764278 0.15198607353051 15.999 > 19 74 O 0.90046294706943 0.43912231764278 0.15198607353051 15.999 > 19 75 O 0.40046294706943 0.43912231764278 0.65198607353050 15.999 > 19 76 O 0.90046294706943 0.43912231764278 0.65198607353050 15.999 > 19 77 O 0.47835958863246 0.25000000000000 0.44289868418716 15.999 > 20 78 O 0.97835958863246 0.25000000000000 0.44289868418716 15.999 > 20 79 O 0.47835958863246 0.25000000000000 0.94289868418716 15.999 > 20 80 O 0.97835958863246 0.25000000000000 0.94289868418716 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5222514 0.0000000 0.0000000 0.0000000 4.4152155 0.0000000 0.0000000 0.0000000 4.4902787 -------------------------- Born effective charges -------------------------- 1 Yb 2.4708006 0.0000000 0.1921459 0.0000000 2.3048033 0.0000000 0.1294681 0.0000000 2.5110627 2 Yb 2.4708006 0.0000000 -0.1921459 0.0000000 2.3048033 0.0000000 -0.1294681 0.0000000 2.5110627 3 Yb 2.4708006 0.0000000 -0.1921459 0.0000000 2.3048033 0.0000000 -0.1294681 0.0000000 2.5110627 4 Yb 2.4708006 0.0000000 0.1921459 0.0000000 2.3048033 0.0000000 0.1294681 0.0000000 2.5110627 5 Hf 5.6526646 -0.1049758 -0.2219561 -0.2745446 5.5150805 -0.3958922 0.4119979 0.6386583 5.5223181 6 Hf 5.6526646 0.1049758 -0.2219561 0.2745446 5.5150805 0.3958922 0.4119979 -0.6386583 5.5223181 7 Hf 5.6526646 -0.1049758 0.2219561 -0.2745446 5.5150805 0.3958922 -0.4119979 -0.6386583 5.5223181 8 Hf 5.6526646 0.1049758 0.2219561 0.2745446 5.5150805 -0.3958922 -0.4119979 0.6386583 5.5223181 9 O -1.8091309 0.0000000 0.1875814 0.0000000 -4.0598799 0.0000000 0.0863683 0.0000000 -2.1233124 10 O -3.1571671 0.1400880 1.1102462 0.1488642 -1.8800020 0.0226210 1.0817518 0.0113692 -2.9550341 11 O -3.1571671 -0.1400880 1.1102462 -0.1488642 -1.8800020 -0.0226210 1.0817518 -0.0113692 -2.9550341 12 O -3.1571671 -0.1400880 -1.1102462 -0.1488642 -1.8800020 0.0226210 -1.0817518 0.0113692 -2.9550341 13 O -3.1571671 0.1400880 -1.1102462 0.1488642 -1.8800020 -0.0226210 -1.0817518 -0.0113692 -2.9550341 14 O -1.8091309 0.0000000 -0.1875814 0.0000000 -4.0598799 0.0000000 -0.0863683 0.0000000 -2.1233124 15 O -1.8091309 0.0000000 -0.1875814 0.0000000 -4.0598799 0.0000000 -0.0863683 0.0000000 -2.1233124 16 O -3.1571671 0.1400880 -1.1102462 0.1488642 -1.8800020 -0.0226210 -1.0817518 -0.0113692 -2.9550341 17 O -3.1571671 -0.1400880 -1.1102462 -0.1488642 -1.8800020 0.0226210 -1.0817518 0.0113692 -2.9550341 18 O -3.1571671 -0.1400880 1.1102462 -0.1488642 -1.8800020 -0.0226210 1.0817518 -0.0113692 -2.9550341 19 O -3.1571671 0.1400880 1.1102462 0.1488642 -1.8800020 0.0226210 1.0817518 0.0113692 -2.9550341 20 O -1.8091309 0.0000000 0.1875814 0.0000000 -4.0598799 0.0000000 0.0863683 0.0000000 -2.1233124 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.732 Solver_block: 200 / 320 - Time: 0.729 Solver_block: 300 / 320 - Time: 0.727 Solver_block: 320 / 320 - Time: 0.187 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.392 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:46:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:46:16]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.658144270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.822433160000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.437242270000000 Atomic positions (fractional): 1 Yb 0.05784225331551 0.25000000000000 0.48226956899437 173.054 2 Yb 0.44215774668449 0.75000000000000 0.98226956899437 173.054 3 Yb 0.55784225331551 0.25000000000000 0.01773043100563 173.054 4 Yb 0.94215774668449 0.75000000000000 0.51773043100563 173.054 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 7 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 8 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 9 O 0.04328082273508 0.75000000000000 0.11420263162569 15.999 10 O 0.19907410586113 0.56087768235722 0.69602785293899 15.999 11 O 0.19907410586113 0.93912231764278 0.69602785293899 15.999 12 O 0.30092589413887 0.06087768235722 0.19602785293899 15.999 13 O 0.30092589413887 0.43912231764278 0.19602785293899 15.999 14 O 0.45671917726492 0.25000000000000 0.61420263162569 15.999 15 O 0.54328082273508 0.75000000000000 0.38579736837431 15.999 16 O 0.69907410586113 0.56087768235722 0.80397214706101 15.999 17 O 0.69907410586113 0.93912231764278 0.80397214706101 15.999 18 O 0.80092589413887 0.06087768235722 0.30397214706101 15.999 19 O 0.80092589413887 0.43912231764278 0.30397214706101 15.999 20 O 0.95671917726492 0.25000000000000 0.88579736837431 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.316288540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.822433160000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.874484539999999 Atomic positions (fractional): 1 Yb 0.02892112665775 0.25000000000000 0.24113478449718 173.054 > 1 2 Yb 0.52892112665775 0.25000000000000 0.24113478449718 173.054 > 1 3 Yb 0.02892112665775 0.25000000000000 0.74113478449718 173.054 > 1 4 Yb 0.52892112665775 0.25000000000000 0.74113478449718 173.054 > 1 5 Yb 0.22107887334225 0.75000000000000 0.49113478449718 173.054 > 5 6 Yb 0.72107887334225 0.75000000000000 0.49113478449718 173.054 > 5 7 Yb 0.22107887334225 0.75000000000000 0.99113478449718 173.054 > 5 8 Yb 0.72107887334225 0.75000000000000 0.99113478449718 173.054 > 5 9 Yb 0.27892112665775 0.25000000000000 0.00886521550282 173.054 > 9 10 Yb 0.77892112665775 0.25000000000000 0.00886521550282 173.054 > 9 11 Yb 0.27892112665775 0.25000000000000 0.50886521550282 173.054 > 9 12 Yb 0.77892112665775 0.25000000000000 0.50886521550282 173.054 > 9 13 Yb 0.47107887334225 0.75000000000000 0.25886521550282 173.054 > 13 14 Yb 0.97107887334225 0.75000000000000 0.25886521550282 173.054 > 13 15 Yb 0.47107887334225 0.75000000000000 0.75886521550282 173.054 > 13 16 Yb 0.97107887334225 0.75000000000000 0.75886521550282 173.054 > 13 17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 17 18 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 17 19 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 17 20 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 17 21 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 21 22 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 21 23 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 21 24 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 21 25 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 25 26 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 25 27 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 25 28 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 25 29 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 29 30 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 29 31 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 29 32 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 29 33 O 0.02164041136754 0.75000000000000 0.05710131581284 15.999 > 33 34 O 0.52164041136754 0.75000000000000 0.05710131581284 15.999 > 33 35 O 0.02164041136754 0.75000000000000 0.55710131581284 15.999 > 33 36 O 0.52164041136754 0.75000000000000 0.55710131581284 15.999 > 33 37 O 0.09953705293057 0.56087768235722 0.34801392646950 15.999 > 37 38 O 0.59953705293057 0.56087768235722 0.34801392646950 15.999 > 37 39 O 0.09953705293057 0.56087768235722 0.84801392646950 15.999 > 37 40 O 0.59953705293057 0.56087768235722 0.84801392646950 15.999 > 37 41 O 0.09953705293057 0.93912231764278 0.34801392646950 15.999 > 41 42 O 0.59953705293057 0.93912231764278 0.34801392646950 15.999 > 41 43 O 0.09953705293057 0.93912231764278 0.84801392646950 15.999 > 41 44 O 0.59953705293057 0.93912231764278 0.84801392646950 15.999 > 41 45 O 0.15046294706943 0.06087768235722 0.09801392646949 15.999 > 45 46 O 0.65046294706943 0.06087768235722 0.09801392646949 15.999 > 45 47 O 0.15046294706943 0.06087768235722 0.59801392646950 15.999 > 45 48 O 0.65046294706943 0.06087768235722 0.59801392646950 15.999 > 45 49 O 0.15046294706943 0.43912231764278 0.09801392646949 15.999 > 49 50 O 0.65046294706943 0.43912231764278 0.09801392646949 15.999 > 49 51 O 0.15046294706943 0.43912231764278 0.59801392646950 15.999 > 49 52 O 0.65046294706943 0.43912231764278 0.59801392646950 15.999 > 49 53 O 0.22835958863246 0.25000000000000 0.30710131581284 15.999 > 53 54 O 0.72835958863246 0.25000000000000 0.30710131581284 15.999 > 53 55 O 0.22835958863246 0.25000000000000 0.80710131581284 15.999 > 53 56 O 0.72835958863246 0.25000000000000 0.80710131581284 15.999 > 53 57 O 0.27164041136754 0.75000000000000 0.19289868418716 15.999 > 57 58 O 0.77164041136754 0.75000000000000 0.19289868418716 15.999 > 57 59 O 0.27164041136754 0.75000000000000 0.69289868418716 15.999 > 57 60 O 0.77164041136754 0.75000000000000 0.69289868418716 15.999 > 57 61 O 0.34953705293057 0.56087768235722 0.40198607353050 15.999 > 61 62 O 0.84953705293057 0.56087768235722 0.40198607353050 15.999 > 61 63 O 0.34953705293057 0.56087768235722 0.90198607353050 15.999 > 61 64 O 0.84953705293057 0.56087768235722 0.90198607353050 15.999 > 61 65 O 0.34953705293057 0.93912231764278 0.40198607353050 15.999 > 65 66 O 0.84953705293057 0.93912231764278 0.40198607353050 15.999 > 65 67 O 0.34953705293057 0.93912231764278 0.90198607353050 15.999 > 65 68 O 0.84953705293057 0.93912231764278 0.90198607353050 15.999 > 65 69 O 0.40046294706943 0.06087768235722 0.15198607353051 15.999 > 69 70 O 0.90046294706943 0.06087768235722 0.15198607353051 15.999 > 69 71 O 0.40046294706943 0.06087768235722 0.65198607353050 15.999 > 69 72 O 0.90046294706943 0.06087768235722 0.65198607353050 15.999 > 69 73 O 0.40046294706943 0.43912231764278 0.15198607353051 15.999 > 73 74 O 0.90046294706943 0.43912231764278 0.15198607353051 15.999 > 73 75 O 0.40046294706943 0.43912231764278 0.65198607353050 15.999 > 73 76 O 0.90046294706943 0.43912231764278 0.65198607353050 15.999 > 73 77 O 0.47835958863246 0.25000000000000 0.44289868418716 15.999 > 77 78 O 0.97835958863246 0.25000000000000 0.44289868418716 15.999 > 77 79 O 0.47835958863246 0.25000000000000 0.94289868418716 15.999 > 77 80 O 0.97835958863246 0.25000000000000 0.94289868418716 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5222514 0.0000000 0.0000000 0.0000000 4.4152155 0.0000000 0.0000000 0.0000000 4.4902787 -------------------------- Born effective charges -------------------------- 1 Yb 2.4708006 0.0000000 0.1921459 0.0000000 2.3048033 0.0000000 0.1294681 0.0000000 2.5110627 2 Yb 2.4708006 0.0000000 -0.1921459 0.0000000 2.3048033 0.0000000 -0.1294681 0.0000000 2.5110627 3 Yb 2.4708006 0.0000000 -0.1921459 0.0000000 2.3048033 0.0000000 -0.1294681 0.0000000 2.5110627 4 Yb 2.4708006 0.0000000 0.1921459 0.0000000 2.3048033 0.0000000 0.1294681 0.0000000 2.5110627 5 Hf 5.6526646 -0.1049758 -0.2219561 -0.2745446 5.5150805 -0.3958922 0.4119979 0.6386583 5.5223181 6 Hf 5.6526646 0.1049758 -0.2219561 0.2745446 5.5150805 0.3958922 0.4119979 -0.6386583 5.5223181 7 Hf 5.6526646 -0.1049758 0.2219561 -0.2745446 5.5150805 0.3958922 -0.4119979 -0.6386583 5.5223181 8 Hf 5.6526646 0.1049758 0.2219561 0.2745446 5.5150805 -0.3958922 -0.4119979 0.6386583 5.5223181 9 O -1.8091309 0.0000000 0.1875814 0.0000000 -4.0598799 0.0000000 0.0863683 0.0000000 -2.1233124 10 O -3.1571671 0.1400880 1.1102462 0.1488642 -1.8800020 0.0226210 1.0817518 0.0113692 -2.9550341 11 O -3.1571671 -0.1400880 1.1102462 -0.1488642 -1.8800020 -0.0226210 1.0817518 -0.0113692 -2.9550341 12 O -3.1571671 -0.1400880 -1.1102462 -0.1488642 -1.8800020 0.0226210 -1.0817518 0.0113692 -2.9550341 13 O -3.1571671 0.1400880 -1.1102462 0.1488642 -1.8800020 -0.0226210 -1.0817518 -0.0113692 -2.9550341 14 O -1.8091309 0.0000000 -0.1875814 0.0000000 -4.0598799 0.0000000 -0.0863683 0.0000000 -2.1233124 15 O -1.8091309 0.0000000 -0.1875814 0.0000000 -4.0598799 0.0000000 -0.0863683 0.0000000 -2.1233124 16 O -3.1571671 0.1400880 -1.1102462 0.1488642 -1.8800020 -0.0226210 -1.0817518 -0.0113692 -2.9550341 17 O -3.1571671 -0.1400880 -1.1102462 -0.1488642 -1.8800020 0.0226210 -1.0817518 0.0113692 -2.9550341 18 O -3.1571671 -0.1400880 1.1102462 -0.1488642 -1.8800020 -0.0226210 1.0817518 -0.0113692 -2.9550341 19 O -3.1571671 0.1400880 1.1102462 0.1488642 -1.8800020 0.0226210 1.0817518 0.0113692 -2.9550341 20 O -1.8091309 0.0000000 0.1875814 0.0000000 -4.0598799 0.0000000 0.0863683 0.0000000 -2.1233124 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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: 0.00000005 (yxy) 0.00000005 (yxy) 0.00000005 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (yz) -0.00000004 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:46:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:46:27]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.658144270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.822433160000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.437242270000000 Atomic positions (fractional): 1 Yb 0.05784225331551 0.25000000000000 0.48226956899437 173.054 2 Yb 0.44215774668449 0.75000000000000 0.98226956899437 173.054 3 Yb 0.55784225331551 0.25000000000000 0.01773043100563 173.054 4 Yb 0.94215774668449 0.75000000000000 0.51773043100563 173.054 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 7 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 8 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 9 O 0.04328082273508 0.75000000000000 0.11420263162569 15.999 10 O 0.19907410586113 0.56087768235722 0.69602785293899 15.999 11 O 0.19907410586113 0.93912231764278 0.69602785293899 15.999 12 O 0.30092589413887 0.06087768235722 0.19602785293899 15.999 13 O 0.30092589413887 0.43912231764278 0.19602785293899 15.999 14 O 0.45671917726492 0.25000000000000 0.61420263162569 15.999 15 O 0.54328082273508 0.75000000000000 0.38579736837431 15.999 16 O 0.69907410586113 0.56087768235722 0.80397214706101 15.999 17 O 0.69907410586113 0.93912231764278 0.80397214706101 15.999 18 O 0.80092589413887 0.06087768235722 0.30397214706101 15.999 19 O 0.80092589413887 0.43912231764278 0.30397214706101 15.999 20 O 0.95671917726492 0.25000000000000 0.88579736837431 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.316288540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.822433160000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.874484539999999 Atomic positions (fractional): 1 Yb 0.02892112665775 0.25000000000000 0.24113478449718 173.054 > 1 2 Yb 0.52892112665775 0.25000000000000 0.24113478449718 173.054 > 1 3 Yb 0.02892112665775 0.25000000000000 0.74113478449718 173.054 > 1 4 Yb 0.52892112665775 0.25000000000000 0.74113478449718 173.054 > 1 5 Yb 0.22107887334225 0.75000000000000 0.49113478449718 173.054 > 5 6 Yb 0.72107887334225 0.75000000000000 0.49113478449718 173.054 > 5 7 Yb 0.22107887334225 0.75000000000000 0.99113478449718 173.054 > 5 8 Yb 0.72107887334225 0.75000000000000 0.99113478449718 173.054 > 5 9 Yb 0.27892112665775 0.25000000000000 0.00886521550282 173.054 > 9 10 Yb 0.77892112665775 0.25000000000000 0.00886521550282 173.054 > 9 11 Yb 0.27892112665775 0.25000000000000 0.50886521550282 173.054 > 9 12 Yb 0.77892112665775 0.25000000000000 0.50886521550282 173.054 > 9 13 Yb 0.47107887334225 0.75000000000000 0.25886521550282 173.054 > 13 14 Yb 0.97107887334225 0.75000000000000 0.25886521550282 173.054 > 13 15 Yb 0.47107887334225 0.75000000000000 0.75886521550282 173.054 > 13 16 Yb 0.97107887334225 0.75000000000000 0.75886521550282 173.054 > 13 17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 17 18 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 17 19 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 17 20 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 17 21 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 21 22 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 21 23 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 21 24 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 21 25 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 25 26 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 25 27 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 25 28 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 25 29 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 29 30 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 29 31 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 29 32 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 29 33 O 0.02164041136754 0.75000000000000 0.05710131581284 15.999 > 33 34 O 0.52164041136754 0.75000000000000 0.05710131581284 15.999 > 33 35 O 0.02164041136754 0.75000000000000 0.55710131581284 15.999 > 33 36 O 0.52164041136754 0.75000000000000 0.55710131581284 15.999 > 33 37 O 0.09953705293057 0.56087768235722 0.34801392646950 15.999 > 37 38 O 0.59953705293057 0.56087768235722 0.34801392646950 15.999 > 37 39 O 0.09953705293057 0.56087768235722 0.84801392646950 15.999 > 37 40 O 0.59953705293057 0.56087768235722 0.84801392646950 15.999 > 37 41 O 0.09953705293057 0.93912231764278 0.34801392646950 15.999 > 41 42 O 0.59953705293057 0.93912231764278 0.34801392646950 15.999 > 41 43 O 0.09953705293057 0.93912231764278 0.84801392646950 15.999 > 41 44 O 0.59953705293057 0.93912231764278 0.84801392646950 15.999 > 41 45 O 0.15046294706943 0.06087768235722 0.09801392646949 15.999 > 45 46 O 0.65046294706943 0.06087768235722 0.09801392646949 15.999 > 45 47 O 0.15046294706943 0.06087768235722 0.59801392646950 15.999 > 45 48 O 0.65046294706943 0.06087768235722 0.59801392646950 15.999 > 45 49 O 0.15046294706943 0.43912231764278 0.09801392646949 15.999 > 49 50 O 0.65046294706943 0.43912231764278 0.09801392646949 15.999 > 49 51 O 0.15046294706943 0.43912231764278 0.59801392646950 15.999 > 49 52 O 0.65046294706943 0.43912231764278 0.59801392646950 15.999 > 49 53 O 0.22835958863246 0.25000000000000 0.30710131581284 15.999 > 53 54 O 0.72835958863246 0.25000000000000 0.30710131581284 15.999 > 53 55 O 0.22835958863246 0.25000000000000 0.80710131581284 15.999 > 53 56 O 0.72835958863246 0.25000000000000 0.80710131581284 15.999 > 53 57 O 0.27164041136754 0.75000000000000 0.19289868418716 15.999 > 57 58 O 0.77164041136754 0.75000000000000 0.19289868418716 15.999 > 57 59 O 0.27164041136754 0.75000000000000 0.69289868418716 15.999 > 57 60 O 0.77164041136754 0.75000000000000 0.69289868418716 15.999 > 57 61 O 0.34953705293057 0.56087768235722 0.40198607353050 15.999 > 61 62 O 0.84953705293057 0.56087768235722 0.40198607353050 15.999 > 61 63 O 0.34953705293057 0.56087768235722 0.90198607353050 15.999 > 61 64 O 0.84953705293057 0.56087768235722 0.90198607353050 15.999 > 61 65 O 0.34953705293057 0.93912231764278 0.40198607353050 15.999 > 65 66 O 0.84953705293057 0.93912231764278 0.40198607353050 15.999 > 65 67 O 0.34953705293057 0.93912231764278 0.90198607353050 15.999 > 65 68 O 0.84953705293057 0.93912231764278 0.90198607353050 15.999 > 65 69 O 0.40046294706943 0.06087768235722 0.15198607353051 15.999 > 69 70 O 0.90046294706943 0.06087768235722 0.15198607353051 15.999 > 69 71 O 0.40046294706943 0.06087768235722 0.65198607353050 15.999 > 69 72 O 0.90046294706943 0.06087768235722 0.65198607353050 15.999 > 69 73 O 0.40046294706943 0.43912231764278 0.15198607353051 15.999 > 73 74 O 0.90046294706943 0.43912231764278 0.15198607353051 15.999 > 73 75 O 0.40046294706943 0.43912231764278 0.65198607353050 15.999 > 73 76 O 0.90046294706943 0.43912231764278 0.65198607353050 15.999 > 73 77 O 0.47835958863246 0.25000000000000 0.44289868418716 15.999 > 77 78 O 0.97835958863246 0.25000000000000 0.44289868418716 15.999 > 77 79 O 0.47835958863246 0.25000000000000 0.94289868418716 15.999 > 77 80 O 0.97835958863246 0.25000000000000 0.94289868418716 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5222514 0.0000000 0.0000000 0.0000000 4.4152155 0.0000000 0.0000000 0.0000000 4.4902787 -------------------------- Born effective charges -------------------------- 1 Yb 2.4708006 0.0000000 0.1921459 0.0000000 2.3048033 0.0000000 0.1294681 0.0000000 2.5110627 2 Yb 2.4708006 0.0000000 -0.1921459 0.0000000 2.3048033 0.0000000 -0.1294681 0.0000000 2.5110627 3 Yb 2.4708006 0.0000000 -0.1921459 0.0000000 2.3048033 0.0000000 -0.1294681 0.0000000 2.5110627 4 Yb 2.4708006 0.0000000 0.1921459 0.0000000 2.3048033 0.0000000 0.1294681 0.0000000 2.5110627 5 Hf 5.6526646 -0.1049758 -0.2219561 -0.2745446 5.5150805 -0.3958922 0.4119979 0.6386583 5.5223181 6 Hf 5.6526646 0.1049758 -0.2219561 0.2745446 5.5150805 0.3958922 0.4119979 -0.6386583 5.5223181 7 Hf 5.6526646 -0.1049758 0.2219561 -0.2745446 5.5150805 0.3958922 -0.4119979 -0.6386583 5.5223181 8 Hf 5.6526646 0.1049758 0.2219561 0.2745446 5.5150805 -0.3958922 -0.4119979 0.6386583 5.5223181 9 O -1.8091309 0.0000000 0.1875814 0.0000000 -4.0598799 0.0000000 0.0863683 0.0000000 -2.1233124 10 O -3.1571671 0.1400880 1.1102462 0.1488642 -1.8800020 0.0226210 1.0817518 0.0113692 -2.9550341 11 O -3.1571671 -0.1400880 1.1102462 -0.1488642 -1.8800020 -0.0226210 1.0817518 -0.0113692 -2.9550341 12 O -3.1571671 -0.1400880 -1.1102462 -0.1488642 -1.8800020 0.0226210 -1.0817518 0.0113692 -2.9550341 13 O -3.1571671 0.1400880 -1.1102462 0.1488642 -1.8800020 -0.0226210 -1.0817518 -0.0113692 -2.9550341 14 O -1.8091309 0.0000000 -0.1875814 0.0000000 -4.0598799 0.0000000 -0.0863683 0.0000000 -2.1233124 15 O -1.8091309 0.0000000 -0.1875814 0.0000000 -4.0598799 0.0000000 -0.0863683 0.0000000 -2.1233124 16 O -3.1571671 0.1400880 -1.1102462 0.1488642 -1.8800020 -0.0226210 -1.0817518 -0.0113692 -2.9550341 17 O -3.1571671 -0.1400880 -1.1102462 -0.1488642 -1.8800020 0.0226210 -1.0817518 0.0113692 -2.9550341 18 O -3.1571671 -0.1400880 1.1102462 -0.1488642 -1.8800020 -0.0226210 1.0817518 -0.0113692 -2.9550341 19 O -3.1571671 0.1400880 1.1102462 0.1488642 -1.8800020 0.0226210 1.0817518 0.0113692 -2.9550341 20 O -1.8091309 0.0000000 0.1875814 0.0000000 -4.0598799 0.0000000 0.0863683 0.0000000 -2.1233124 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yxy) 0.00000005 (yxy) 0.00000005 (yyx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 315, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.744 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.423 ( 0.000 0.000 0.000) 0.000 10.961 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.452 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 12.032 ( 0.000 0.000 0.000) 0.000 12.584 ( 0.000 0.000 0.000) 0.000 13.109 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 14.691 ( 0.000 0.000 0.000) 0.000 15.220 ( 0.000 0.000 0.000) 0.000 15.613 ( 0.000 0.000 0.000) 0.000 16.071 ( 0.000 0.000 0.000) 0.000 16.074 ( 0.000 0.000 0.000) 0.000 16.386 ( 0.000 0.000 0.000) 0.000 16.813 ( 0.000 0.000 0.000) 0.000 18.095 ( 0.000 0.000 0.000) 0.000 18.408 ( 0.000 0.000 0.000) 0.000 18.573 ( 0.000 0.000 0.000) 0.000 22.053 ( 0.000 0.000 0.000) 0.000 23.592 ( 0.000 0.000 0.000) 0.000 24.115 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 30.242 0.000 0.000) 30.242 0.627 ( 30.533 0.000 0.000) 30.533 1.098 ( 54.186 0.000 0.000) 54.186 2.203 ( 5.797 0.000 0.000) 5.797 2.424 ( -1.121 0.000 0.000) 1.121 2.516 ( 0.359 0.000 0.000) 0.359 2.690 ( -13.845 0.000 0.000) 13.845 2.707 ( -6.933 0.000 0.000) 6.933 2.840 ( -2.948 0.000 0.000) 2.948 2.911 ( 7.659 0.000 0.000) 7.659 3.048 ( -1.276 0.000 0.000) 1.276 3.103 ( -2.066 0.000 0.000) 2.066 3.135 ( -1.712 0.000 0.000) 1.712 3.515 ( 16.479 0.000 0.000) 16.479 3.583 ( -7.490 0.000 0.000) 7.490 3.593 ( 9.523 0.000 0.000) 9.523 3.914 ( 10.642 0.000 0.000) 10.642 4.004 ( -3.548 0.000 0.000) 3.548 5.300 ( 4.807 0.000 0.000) 4.807 5.444 ( 4.622 0.000 0.000) 4.622 5.525 ( 3.305 0.000 0.000) 3.305 5.647 ( 1.975 0.000 0.000) 1.975 5.896 ( -3.129 0.000 0.000) 3.129 6.261 ( -1.934 0.000 0.000) 1.934 6.342 ( -5.519 0.000 0.000) 5.519 6.392 ( -5.322 0.000 0.000) 5.322 6.677 ( -1.420 0.000 0.000) 1.420 6.829 ( 12.422 0.000 0.000) 12.422 7.087 ( -2.813 0.000 0.000) 2.813 7.779 ( 4.808 0.000 0.000) 4.808 8.043 ( 11.320 0.000 0.000) 11.320 8.737 ( -6.168 0.000 0.000) 6.168 9.344 ( -6.581 0.000 0.000) 6.581 9.925 ( -2.119 0.000 0.000) 2.119 10.309 ( 2.788 0.000 0.000) 2.788 10.536 ( 11.259 0.000 0.000) 11.259 10.779 ( -12.112 0.000 0.000) 12.112 11.153 ( -18.626 0.000 0.000) 18.626 11.398 ( 12.084 0.000 0.000) 12.084 11.416 ( -3.511 0.000 0.000) 3.511 11.866 ( 3.932 0.000 0.000) 3.932 12.505 ( -6.099 0.000 0.000) 6.099 12.709 ( 12.239 0.000 0.000) 12.239 13.212 ( 8.803 0.000 0.000) 8.803 13.329 ( -8.718 0.000 0.000) 8.718 13.570 ( -4.077 0.000 0.000) 4.077 14.550 ( 0.710 0.000 0.000) 0.710 14.681 ( -1.065 0.000 0.000) 1.065 15.278 ( 5.553 0.000 0.000) 5.553 15.743 ( 11.190 0.000 0.000) 11.190 16.103 ( 4.655 0.000 0.000) 4.655 16.434 ( 4.980 0.000 0.000) 4.980 16.859 ( 4.714 0.000 0.000) 4.714 18.093 ( -0.339 0.000 0.000) 0.339 18.356 ( -5.342 0.000 0.000) 5.342 18.529 ( -4.500 0.000 0.000) 4.500 21.680 ( 6.116 0.000 0.000) 6.116 22.102 ( 5.165 0.000 0.000) 5.165 23.538 ( -5.534 0.000 0.000) 5.534 24.083 ( -3.410 0.000 0.000) 3.410 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 27.339 0.000 0.000) 27.339 1.178 ( 25.167 0.000 0.000) 25.167 2.066 ( 40.540 0.000 0.000) 40.540 2.301 ( 1.054 0.000 0.000) 1.054 2.332 ( -17.696 0.000 0.000) 17.696 2.397 ( -0.429 0.000 0.000) 0.429 2.515 ( -0.473 0.000 0.000) 0.473 2.560 ( -5.589 0.000 0.000) 5.589 2.760 ( -4.177 0.000 0.000) 4.177 3.033 ( -0.056 0.000 0.000) 0.056 3.083 ( -3.161 0.000 0.000) 3.161 3.085 ( 1.174 0.000 0.000) 1.174 3.148 ( 9.637 0.000 0.000) 9.637 3.400 ( -10.379 0.000 0.000) 10.379 3.858 ( 16.931 0.000 0.000) 16.931 3.873 ( 20.903 0.000 0.000) 20.903 3.920 ( -3.809 0.000 0.000) 3.809 4.197 ( 17.664 0.000 0.000) 17.664 5.421 ( 6.987 0.000 0.000) 6.987 5.550 ( 4.879 0.000 0.000) 4.879 5.575 ( 0.517 0.000 0.000) 0.517 5.681 ( 0.626 0.000 0.000) 0.626 5.825 ( -3.318 0.000 0.000) 3.318 6.180 ( -11.102 0.000 0.000) 11.102 6.206 ( -3.496 0.000 0.000) 3.496 6.228 ( -11.124 0.000 0.000) 11.124 6.669 ( 1.325 0.000 0.000) 1.325 7.043 ( -1.391 0.000 0.000) 1.391 7.123 ( 16.191 0.000 0.000) 16.191 7.896 ( 6.874 0.000 0.000) 6.874 8.314 ( 14.498 0.000 0.000) 14.498 8.565 ( -11.063 0.000 0.000) 11.063 9.186 ( -8.163 0.000 0.000) 8.163 9.848 ( -5.998 0.000 0.000) 5.998 10.390 ( 5.402 0.000 0.000) 5.402 10.573 ( -8.197 0.000 0.000) 8.197 10.792 ( -16.930 0.000 0.000) 16.930 10.836 ( 17.629 0.000 0.000) 17.629 11.330 ( -4.035 0.000 0.000) 4.035 11.595 ( 6.681 0.000 0.000) 6.681 11.866 ( -3.191 0.000 0.000) 3.191 12.421 ( -0.757 0.000 0.000) 0.757 13.003 ( 15.623 0.000 0.000) 15.623 13.093 ( -14.860 0.000 0.000) 14.860 13.399 ( 9.379 0.000 0.000) 9.379 13.458 ( -6.890 0.000 0.000) 6.890 14.564 ( 0.620 0.000 0.000) 0.620 14.652 ( -1.758 0.000 0.000) 1.758 15.415 ( 7.770 0.000 0.000) 7.770 15.890 ( 1.918 0.000 0.000) 1.918 16.376 ( 23.600 0.000 0.000) 23.600 16.587 ( 10.794 0.000 0.000) 10.794 16.999 ( 9.540 0.000 0.000) 9.540 18.070 ( -2.412 0.000 0.000) 2.412 18.198 ( -10.731 0.000 0.000) 10.731 18.394 ( -9.281 0.000 0.000) 9.281 21.855 ( 11.608 0.000 0.000) 11.608 22.265 ( 11.666 0.000 0.000) 11.666 23.378 ( -10.644 0.000 0.000) 10.644 23.971 ( -8.354 0.000 0.000) 8.354 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 18.950 0.000 0.000) 18.950 1.668 ( 22.160 0.000 0.000) 22.160 2.054 ( -9.449 0.000 0.000) 9.449 2.178 ( -10.455 0.000 0.000) 10.455 2.281 ( -4.647 0.000 0.000) 4.647 2.502 ( -0.629 0.000 0.000) 0.629 2.525 ( -1.850 0.000 0.000) 1.850 2.556 ( 0.760 0.000 0.000) 0.760 2.804 ( 7.964 0.000 0.000) 7.964 3.034 ( -0.961 0.000 0.000) 0.961 3.041 ( -0.014 0.000 0.000) 0.014 3.195 ( 8.477 0.000 0.000) 8.477 3.216 ( -6.738 0.000 0.000) 6.738 3.239 ( 0.302 0.000 0.000) 0.302 3.964 ( 13.080 0.000 0.000) 13.080 4.227 ( 19.727 0.000 0.000) 19.727 4.313 ( 22.156 0.000 0.000) 22.156 4.584 ( 21.008 0.000 0.000) 21.008 5.486 ( -11.097 0.000 0.000) 11.097 5.547 ( -5.965 0.000 0.000) 5.965 5.551 ( 5.330 0.000 0.000) 5.330 5.639 ( -5.364 0.000 0.000) 5.364 5.835 ( 4.988 0.000 0.000) 4.988 5.916 ( -14.955 0.000 0.000) 14.955 5.998 ( -10.527 0.000 0.000) 10.527 6.134 ( -3.598 0.000 0.000) 3.598 6.736 ( 5.227 0.000 0.000) 5.227 7.019 ( -1.630 0.000 0.000) 1.630 7.438 ( 15.677 0.000 0.000) 15.677 8.049 ( 8.734 0.000 0.000) 8.734 8.316 ( -13.866 0.000 0.000) 13.866 8.514 ( 3.001 0.000 0.000) 3.001 9.103 ( 2.178 0.000 0.000) 2.178 9.690 ( -9.728 0.000 0.000) 9.728 10.461 ( -3.688 0.000 0.000) 3.688 10.519 ( 7.665 0.000 0.000) 7.665 10.521 ( -10.141 0.000 0.000) 10.141 11.023 ( -3.170 0.000 0.000) 3.170 11.436 ( 18.786 0.000 0.000) 18.786 11.645 ( -0.693 0.000 0.000) 0.693 11.773 ( -5.560 0.000 0.000) 5.560 12.509 ( 9.239 0.000 0.000) 9.239 12.758 ( -19.122 0.000 0.000) 19.122 13.186 ( -3.486 0.000 0.000) 3.486 13.392 ( 6.131 0.000 0.000) 6.131 13.555 ( 6.062 0.000 0.000) 6.062 14.571 ( 0.120 0.000 0.000) 0.120 14.616 ( -1.834 0.000 0.000) 1.834 15.566 ( 7.347 0.000 0.000) 7.347 15.873 ( -2.609 0.000 0.000) 2.609 16.856 ( 16.328 0.000 0.000) 16.328 16.910 ( 28.115 0.000 0.000) 28.115 17.231 ( 13.924 0.000 0.000) 13.924 17.938 ( -15.651 0.000 0.000) 15.651 17.981 ( -7.068 0.000 0.000) 7.068 18.166 ( -13.739 0.000 0.000) 13.739 22.126 ( 15.720 0.000 0.000) 15.720 22.563 ( 18.457 0.000 0.000) 18.457 23.126 ( -14.796 0.000 0.000) 14.796 23.745 ( -14.764 0.000 0.000) 14.764 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 1.543 0.000 0.000) 1.543 1.928 ( 13.529 0.000 0.000) 13.529 1.987 ( -7.782 0.000 0.000) 7.782 2.118 ( 15.825 0.000 0.000) 15.825 2.147 ( -8.926 0.000 0.000) 8.926 2.397 ( -11.093 0.000 0.000) 11.093 2.500 ( 0.505 0.000 0.000) 0.505 2.522 ( -1.794 0.000 0.000) 1.794 2.887 ( 2.593 0.000 0.000) 2.593 2.960 ( -4.992 0.000 0.000) 4.992 3.096 ( 4.786 0.000 0.000) 4.786 3.186 ( 2.301 0.000 0.000) 2.301 3.192 ( -4.305 0.000 0.000) 4.305 3.244 ( -2.355 0.000 0.000) 2.355 4.450 ( 30.797 0.000 0.000) 30.797 4.579 ( 14.018 0.000 0.000) 14.018 4.651 ( 8.934 0.000 0.000) 8.934 4.915 ( -0.578 0.000 0.000) 0.578 5.203 ( -3.894 0.000 0.000) 3.894 5.415 ( -3.807 0.000 0.000) 3.807 5.477 ( -16.092 0.000 0.000) 16.092 5.485 ( -8.750 0.000 0.000) 8.750 5.754 ( 2.292 0.000 0.000) 2.292 5.845 ( -5.784 0.000 0.000) 5.784 5.957 ( 6.190 0.000 0.000) 6.190 6.060 ( -4.306 0.000 0.000) 4.306 6.855 ( 6.257 0.000 0.000) 6.257 6.962 ( -4.309 0.000 0.000) 4.309 7.739 ( 15.076 0.000 0.000) 15.076 8.032 ( -14.819 0.000 0.000) 14.819 8.237 ( 10.191 0.000 0.000) 10.191 8.431 ( -8.822 0.000 0.000) 8.822 9.260 ( 11.175 0.000 0.000) 11.175 9.483 ( -11.082 0.000 0.000) 11.082 10.402 ( -2.225 0.000 0.000) 2.225 10.407 ( -1.928 0.000 0.000) 1.928 10.687 ( 9.295 0.000 0.000) 9.295 10.874 ( -9.466 0.000 0.000) 9.466 11.628 ( 0.222 0.000 0.000) 0.222 11.672 ( -4.129 0.000 0.000) 4.129 11.886 ( 24.243 0.000 0.000) 24.243 12.348 ( -22.417 0.000 0.000) 22.417 12.739 ( 13.095 0.000 0.000) 13.095 12.995 ( -12.421 0.000 0.000) 12.421 13.555 ( 6.693 0.000 0.000) 6.693 13.620 ( 0.168 0.000 0.000) 0.168 14.573 ( 0.207 0.000 0.000) 0.207 14.585 ( -1.123 0.000 0.000) 1.123 15.698 ( 6.032 0.000 0.000) 6.032 15.802 ( -4.516 0.000 0.000) 4.516 17.212 ( 19.379 0.000 0.000) 19.379 17.416 ( 22.484 0.000 0.000) 22.484 17.534 ( 16.616 0.000 0.000) 16.616 17.594 ( -18.955 0.000 0.000) 18.955 17.776 ( -14.197 0.000 0.000) 14.197 17.865 ( -16.547 0.000 0.000) 16.547 22.459 ( 17.737 0.000 0.000) 17.737 22.807 ( -17.352 0.000 0.000) 17.352 22.969 ( 22.129 0.000 0.000) 22.129 23.396 ( -20.427 0.000 0.000) 20.427 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 27.298 0.000) 27.298 0.648 ( 0.000 29.670 0.000) 29.670 1.208 ( 0.000 52.737 0.000) 52.737 2.120 ( 0.000 -2.918 0.000) 2.918 2.302 ( 0.000 -7.320 0.000) 7.320 2.561 ( 0.000 4.408 0.000) 4.408 2.638 ( 0.000 -14.622 0.000) 14.622 2.751 ( 0.000 -14.438 0.000) 14.438 2.797 ( 0.000 1.673 0.000) 1.673 2.929 ( 0.000 -6.845 0.000) 6.845 3.281 ( 0.000 3.479 0.000) 3.479 3.293 ( 0.000 11.708 0.000) 11.708 3.375 ( 0.000 11.471 0.000) 11.471 3.465 ( 0.000 -4.162 0.000) 4.162 3.552 ( 0.000 14.899 0.000) 14.899 3.760 ( 0.000 13.006 0.000) 13.006 3.784 ( 0.000 -1.620 0.000) 1.620 4.012 ( 0.000 -2.479 0.000) 2.479 4.845 ( 0.000 -8.798 0.000) 8.798 5.424 ( 0.000 -6.051 0.000) 6.051 5.698 ( 0.000 6.828 0.000) 6.828 5.933 ( 0.000 0.357 0.000) 0.357 6.266 ( 0.000 -6.742 0.000) 6.742 6.290 ( 0.000 1.122 0.000) 1.122 6.430 ( 0.000 -1.257 0.000) 1.257 6.516 ( 0.000 4.706 0.000) 4.706 6.659 ( 0.000 0.627 0.000) 0.627 7.015 ( 0.000 -9.818 0.000) 9.818 7.737 ( 0.000 -0.578 0.000) 0.578 7.739 ( 0.000 -0.287 0.000) 0.287 7.795 ( 0.000 6.070 0.000) 6.070 8.305 ( 0.000 5.926 0.000) 5.926 8.677 ( 0.000 -10.209 0.000) 10.209 9.321 ( 0.000 -8.342 0.000) 8.342 10.007 ( 0.000 5.556 0.000) 5.556 10.384 ( 0.000 9.334 0.000) 9.334 10.877 ( 0.000 -7.506 0.000) 7.506 11.251 ( 0.000 1.816 0.000) 1.816 11.404 ( 0.000 -3.038 0.000) 3.038 11.697 ( 0.000 -5.877 0.000) 5.877 12.186 ( 0.000 12.791 0.000) 12.791 12.532 ( 0.000 -3.134 0.000) 3.134 13.054 ( 0.000 -5.018 0.000) 5.018 13.191 ( 0.000 4.990 0.000) 4.990 13.540 ( 0.000 10.307 0.000) 10.307 13.572 ( 0.000 -2.170 0.000) 2.170 14.313 ( 0.000 -5.069 0.000) 5.069 14.600 ( 0.000 -7.584 0.000) 7.584 15.485 ( 0.000 23.058 0.000) 23.058 15.734 ( 0.000 2.610 0.000) 2.610 16.052 ( 0.000 -2.013 0.000) 2.013 16.425 ( 0.000 3.651 0.000) 3.651 16.783 ( 0.000 -2.705 0.000) 2.705 17.971 ( 0.000 -11.729 0.000) 11.729 18.420 ( 0.000 1.053 0.000) 1.053 18.562 ( 0.000 -0.969 0.000) 0.969 21.071 ( 0.000 6.042 0.000) 6.042 21.978 ( 0.000 -6.787 0.000) 6.787 23.594 ( 0.000 0.354 0.000) 0.354 24.041 ( 0.000 -6.503 0.000) 6.503 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 19.656 16.723 0.000) 25.807 0.968 ( 21.208 21.132 0.000) 29.939 1.566 ( 34.516 37.794 0.000) 51.183 2.163 ( 3.915 -4.212 0.000) 5.750 2.281 ( -2.373 -9.493 0.000) 9.785 2.553 ( -0.864 2.691 0.000) 2.826 2.566 ( -6.549 -9.589 0.000) 11.612 2.722 ( -7.045 1.543 0.000) 7.212 2.777 ( 1.521 -9.962 0.000) 10.077 2.922 ( -1.061 -5.458 0.000) 5.560 3.080 ( -8.630 5.437 0.000) 10.200 3.348 ( -9.243 20.865 0.000) 22.821 3.404 ( 1.894 15.404 0.000) 15.520 3.434 ( -2.907 -7.546 0.000) 8.087 3.568 ( 14.678 3.243 0.000) 15.032 3.775 ( 3.957 12.204 0.000) 12.829 3.907 ( 10.972 0.346 0.000) 10.977 4.004 ( -0.412 0.688 0.000) 0.802 5.001 ( 11.497 -11.930 0.000) 16.569 5.449 ( 2.121 -6.608 0.000) 6.940 5.734 ( 3.223 7.420 0.000) 8.090 5.886 ( -5.352 1.459 0.000) 5.548 6.085 ( -21.758 20.340 0.000) 29.784 6.237 ( -3.359 -5.334 0.000) 6.304 6.266 ( -2.415 0.596 0.000) 2.488 6.384 ( -4.981 -0.818 0.000) 5.048 6.672 ( -1.369 -0.469 0.000) 1.447 6.988 ( -2.151 -9.228 0.000) 9.475 7.122 ( -0.337 20.770 0.000) 20.773 7.830 ( 3.270 4.695 0.000) 5.721 8.035 ( 11.635 -1.153 0.000) 11.692 8.623 ( -5.406 -9.572 0.000) 10.993 9.214 ( 4.552 -13.809 0.000) 14.540 9.539 ( 42.487 -32.268 0.000) 53.351 9.978 ( -2.900 4.756 0.000) 5.571 10.428 ( 4.080 10.595 0.000) 11.353 10.724 ( -11.129 -5.353 0.000) 12.350 11.335 ( -7.195 -1.823 0.000) 7.422 11.412 ( 12.140 0.406 0.000) 12.147 11.544 ( -13.267 0.387 0.000) 13.273 12.092 ( -4.597 16.353 0.000) 16.987 12.461 ( -5.988 -2.688 0.000) 6.563 13.080 ( 0.479 -8.091 0.000) 8.105 13.120 ( 0.814 21.736 0.000) 21.751 13.482 ( -5.695 -6.123 0.000) 8.362 13.513 ( -1.459 12.284 0.000) 12.370 14.414 ( 4.803 -8.991 0.000) 10.194 14.593 ( -0.744 -7.417 0.000) 7.454 15.534 ( 4.685 22.409 0.000) 22.893 15.847 ( 11.828 5.538 0.000) 13.061 16.135 ( 5.696 1.100 0.000) 5.802 16.472 ( 4.875 3.539 0.000) 6.025 16.831 ( 4.806 -2.620 0.000) 5.474 17.971 ( -0.223 -11.627 0.000) 11.629 18.357 ( -5.614 0.653 0.000) 5.652 18.518 ( -4.582 -1.061 0.000) 4.703 21.353 ( 18.193 -11.211 0.000) 21.370 22.029 ( 5.145 -7.067 0.000) 8.741 23.541 ( -5.458 0.444 0.000) 5.476 24.008 ( -3.579 -6.666 0.000) 7.566 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 19.653 5.785 0.000) 20.487 1.373 ( 20.371 13.789 0.000) 24.599 2.165 ( -9.420 -9.726 0.000) 13.540 2.246 ( 3.619 -5.352 0.000) 6.461 2.317 ( 32.143 20.715 0.000) 38.240 2.441 ( -2.591 -1.665 0.000) 3.080 2.521 ( -3.375 -1.853 0.000) 3.851 2.559 ( -7.311 2.516 0.000) 7.732 2.773 ( -0.823 -1.212 0.000) 1.465 2.877 ( -3.758 -4.337 0.000) 5.739 2.954 ( -3.341 -4.420 0.000) 5.541 3.292 ( 0.985 9.395 0.000) 9.447 3.308 ( -7.904 -6.794 0.000) 10.423 3.473 ( 3.654 22.825 0.000) 23.115 3.876 ( 14.997 3.038 0.000) 15.302 3.953 ( 13.952 8.201 0.000) 16.184 4.040 ( 6.995 7.086 0.000) 9.957 4.196 ( 17.898 0.305 0.000) 17.901 5.217 ( 10.032 -11.899 0.000) 15.564 5.481 ( 0.415 -7.073 0.000) 7.085 5.730 ( -7.766 5.587 0.000) 9.567 5.786 ( 0.571 7.929 0.000) 7.949 5.914 ( -1.834 7.552 0.000) 7.771 6.125 ( -8.029 -2.443 0.000) 8.392 6.203 ( -3.890 -0.136 0.000) 3.892 6.224 ( -10.658 -0.351 0.000) 10.664 6.641 ( -0.484 -2.389 0.000) 2.438 6.956 ( -0.951 -8.261 0.000) 8.315 7.279 ( 11.836 12.680 0.000) 17.346 7.912 ( 4.923 1.787 0.000) 5.237 8.293 ( 12.515 -2.787 0.000) 12.822 8.473 ( -9.535 -7.684 0.000) 12.245 9.167 ( -2.948 -0.887 0.000) 3.078 9.893 ( -5.831 4.073 0.000) 7.113 10.173 ( 20.211 -28.205 0.000) 34.699 10.471 ( -4.967 1.029 0.000) 5.072 10.588 ( 3.141 7.156 0.000) 7.815 11.143 ( -8.523 4.516 0.000) 9.645 11.367 ( -3.617 2.207 0.000) 4.237 11.634 ( 8.940 2.568 0.000) 9.302 12.012 ( -4.839 12.750 0.000) 13.637 12.356 ( -3.010 -4.745 0.000) 5.619 12.988 ( -10.310 -8.131 0.000) 13.131 13.242 ( 7.892 18.462 0.000) 20.078 13.358 ( -5.641 -8.786 0.000) 10.441 13.541 ( 4.332 11.056 0.000) 11.875 14.475 ( 1.896 -7.460 0.000) 7.697 14.572 ( -1.347 -6.959 0.000) 7.088 15.651 ( 6.700 20.933 0.000) 21.980 16.034 ( 3.254 10.797 0.000) 11.277 16.384 ( 22.286 0.585 0.000) 22.293 16.623 ( 10.602 3.234 0.000) 11.084 16.973 ( 9.692 -2.396 0.000) 9.984 17.952 ( -2.037 -11.187 0.000) 11.371 18.203 ( -10.270 0.601 0.000) 10.287 18.381 ( -9.367 -1.225 0.000) 9.447 21.685 ( 16.659 -10.855 0.000) 19.883 22.187 ( 11.237 -7.475 0.000) 13.496 23.382 ( -10.679 0.542 0.000) 10.693 23.891 ( -8.605 -7.064 0.000) 11.133 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 13.741 -2.264 0.000) 13.926 1.758 ( 18.068 6.320 0.000) 19.141 1.970 ( -8.113 -5.888 0.000) 10.024 2.246 ( -4.211 4.408 0.000) 6.096 2.342 ( -4.089 2.722 0.000) 4.912 2.432 ( -1.599 -8.256 0.000) 8.409 2.503 ( -1.348 0.155 0.000) 1.357 2.584 ( -2.922 2.264 0.000) 3.696 2.777 ( -5.692 -6.139 0.000) 8.372 2.860 ( 3.696 0.611 0.000) 3.746 2.947 ( -1.999 -9.735 0.000) 9.939 3.145 ( -8.096 -4.800 0.000) 9.412 3.465 ( 17.633 15.052 0.000) 23.184 3.554 ( 4.424 27.397 0.000) 27.752 4.076 ( 12.565 9.727 0.000) 15.890 4.286 ( 18.729 5.045 0.000) 19.397 4.373 ( 20.970 4.156 0.000) 21.378 4.586 ( 21.144 0.259 0.000) 21.146 5.388 ( 7.065 -11.164 0.000) 13.211 5.432 ( -6.736 -4.775 0.000) 8.257 5.569 ( -9.126 1.335 0.000) 9.223 5.692 ( -10.598 4.194 0.000) 11.398 5.843 ( -10.486 -4.553 0.000) 11.432 5.979 ( -12.208 -1.591 0.000) 12.312 6.004 ( 0.643 9.706 0.000) 9.727 6.161 ( -1.095 2.391 0.000) 2.630 6.678 ( 4.142 -4.919 0.000) 6.431 6.938 ( -1.431 -7.582 0.000) 7.715 7.521 ( 12.327 7.146 0.000) 14.249 8.020 ( 5.620 -1.954 0.000) 5.950 8.266 ( -10.704 -4.328 0.000) 11.546 8.437 ( 0.816 -7.219 0.000) 7.265 9.188 ( 6.040 7.797 0.000) 9.863 9.749 ( -8.646 5.108 0.000) 10.042 10.349 ( 0.259 -13.585 0.000) 13.588 10.361 ( -4.049 -5.656 0.000) 6.956 10.722 ( 7.855 14.727 0.000) 16.691 11.055 ( -3.301 2.750 0.000) 4.296 11.457 ( 14.275 0.308 0.000) 14.278 11.720 ( 0.082 6.534 0.000) 6.534 11.893 ( -6.858 10.724 0.000) 12.730 12.393 ( 5.990 -9.946 0.000) 11.610 12.716 ( -15.609 -4.399 0.000) 16.217 13.147 ( -10.684 -6.463 0.000) 12.487 13.478 ( 9.998 9.923 0.000) 14.086 13.639 ( 4.556 7.557 0.000) 8.824 14.498 ( 0.614 -6.393 0.000) 6.422 14.543 ( -1.493 -6.383 0.000) 6.555 15.782 ( 6.352 19.240 0.000) 20.262 16.036 ( -1.780 13.733 0.000) 13.848 16.887 ( 16.094 2.828 0.000) 16.341 16.890 ( 26.470 -1.937 0.000) 26.541 17.208 ( 14.083 -2.110 0.000) 14.240 17.875 ( -6.230 -10.090 0.000) 11.858 17.952 ( -15.206 1.300 0.000) 15.262 18.152 ( -13.787 -1.334 0.000) 13.851 22.032 ( 18.733 -6.985 0.000) 19.992 22.477 ( 18.106 -7.911 0.000) 19.759 23.126 ( -15.238 0.212 0.000) 15.240 23.660 ( -14.993 -7.511 0.000) 16.769 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 5.483 -7.406 0.000) 9.215 1.833 ( -3.663 -4.999 0.000) 6.198 2.111 ( 15.102 -0.320 0.000) 15.105 2.186 ( 0.333 10.321 0.000) 10.326 2.253 ( -4.849 7.249 0.000) 8.721 2.355 ( -8.628 -4.659 0.000) 9.806 2.497 ( 0.558 -0.224 0.000) 0.602 2.521 ( -2.251 -0.147 0.000) 2.256 2.723 ( 1.835 -12.451 0.000) 12.585 2.828 ( -7.409 -12.382 0.000) 14.429 2.915 ( 3.221 -4.014 0.000) 5.147 3.004 ( -5.984 -3.485 0.000) 6.925 3.637 ( 3.570 27.447 0.000) 27.679 3.666 ( 1.972 24.635 0.000) 24.714 4.526 ( 29.659 6.765 0.000) 30.420 4.629 ( 14.042 4.310 0.000) 14.689 4.703 ( 8.995 4.199 0.000) 9.927 4.954 ( 6.361 3.109 0.000) 7.080 5.182 ( -9.631 -1.430 0.000) 9.736 5.381 ( -8.376 -4.504 0.000) 9.510 5.429 ( -7.389 -2.365 0.000) 7.758 5.469 ( -9.344 -1.584 0.000) 9.478 5.660 ( -0.235 -7.081 0.000) 7.085 5.772 ( -8.706 -5.622 0.000) 10.364 6.074 ( 4.202 8.088 0.000) 9.115 6.137 ( -1.992 5.752 0.000) 6.087 6.782 ( 5.833 -6.377 0.000) 8.643 6.884 ( -4.135 -7.096 0.000) 8.213 7.760 ( 12.024 2.165 0.000) 12.217 7.989 ( -10.605 -2.783 0.000) 10.964 8.207 ( 6.575 -3.100 0.000) 7.270 8.356 ( -7.233 -6.609 0.000) 9.797 9.365 ( 10.417 9.072 0.000) 13.814 9.565 ( -9.831 7.110 0.000) 12.132 10.315 ( -0.952 -6.766 0.000) 6.832 10.319 ( -1.386 -7.215 0.000) 7.347 10.864 ( 6.321 14.295 0.000) 15.631 10.971 ( -4.834 8.417 0.000) 9.707 11.707 ( 0.393 7.162 0.000) 7.172 11.764 ( -4.790 8.253 0.000) 9.542 11.847 ( 21.898 -3.827 0.000) 22.230 12.275 ( -19.770 -7.127 0.000) 21.015 12.665 ( 11.253 -6.643 0.000) 13.068 12.913 ( -12.776 -7.617 0.000) 14.874 13.637 ( 5.646 7.530 0.000) 9.411 13.690 ( 0.216 6.481 0.000) 6.484 14.505 ( 0.339 -5.931 0.000) 5.941 14.518 ( -0.980 -5.960 0.000) 6.040 15.895 ( 5.120 17.526 0.000) 18.258 15.981 ( -3.653 15.749 0.000) 16.167 17.238 ( 19.131 2.393 0.000) 19.280 17.361 ( 20.630 -5.265 0.000) 21.291 17.513 ( 16.356 -2.057 0.000) 16.485 17.615 ( -18.655 1.920 0.000) 18.753 17.693 ( -12.404 -7.819 0.000) 14.663 17.850 ( -16.572 -1.414 0.000) 16.633 22.413 ( 19.728 -3.475 0.000) 20.032 22.792 ( -18.479 -1.031 0.000) 18.508 22.879 ( 22.088 -8.050 0.000) 23.510 23.307 ( -20.571 -7.868 0.000) 22.024 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 24.223 0.000) 24.223 1.252 ( 0.000 26.852 0.000) 26.852 1.965 ( 0.000 -12.049 0.000) 12.049 2.038 ( 0.000 14.054 0.000) 14.054 2.154 ( 0.000 -5.120 0.000) 5.120 2.284 ( 0.000 -17.338 0.000) 17.338 2.648 ( 0.000 14.089 0.000) 14.089 2.668 ( 0.000 4.735 0.000) 4.735 2.813 ( 0.000 -3.931 0.000) 3.931 2.874 ( 0.000 6.128 0.000) 6.128 3.284 ( 0.000 -10.125 0.000) 10.125 3.311 ( 0.000 -2.275 0.000) 2.275 3.542 ( 0.000 11.449 0.000) 11.449 3.557 ( 0.000 5.288 0.000) 5.288 3.733 ( 0.000 -3.131 0.000) 3.131 3.859 ( 0.000 13.965 0.000) 13.965 3.931 ( 0.000 -5.313 0.000) 5.313 4.242 ( 0.000 27.998 0.000) 27.998 4.565 ( 0.000 -16.996 0.000) 16.996 5.213 ( 0.000 -14.111 0.000) 14.111 5.913 ( 0.000 13.177 0.000) 13.177 5.953 ( 0.000 1.705 0.000) 1.705 6.125 ( 0.000 -6.196 0.000) 6.196 6.334 ( 0.000 3.047 0.000) 3.047 6.381 ( 0.000 -3.665 0.000) 3.665 6.602 ( 0.000 3.334 0.000) 3.334 6.670 ( 0.000 0.088 0.000) 0.088 6.729 ( 0.000 -15.913 0.000) 15.913 7.726 ( 0.000 -0.371 0.000) 0.371 7.731 ( 0.000 -0.423 0.000) 0.423 7.962 ( 0.000 9.157 0.000) 9.157 8.425 ( 0.000 -12.321 0.000) 12.321 8.491 ( 0.000 11.322 0.000) 11.322 9.079 ( 0.000 -13.629 0.000) 13.629 10.167 ( 0.000 9.348 0.000) 9.348 10.640 ( 0.000 4.787 0.000) 4.787 10.676 ( 0.000 -1.672 0.000) 1.672 11.216 ( 0.000 -6.418 0.000) 6.418 11.370 ( 0.000 0.344 0.000) 0.344 11.551 ( 0.000 -7.011 0.000) 7.011 12.514 ( 0.000 16.950 0.000) 16.950 12.531 ( 0.000 4.158 0.000) 4.158 12.902 ( 0.000 -8.984 0.000) 8.984 13.160 ( 0.000 -9.300 0.000) 9.300 13.650 ( 0.000 10.262 0.000) 10.262 13.808 ( 0.000 14.031 0.000) 14.031 14.154 ( 0.000 -9.668 0.000) 9.668 14.391 ( 0.000 -11.745 0.000) 11.745 15.809 ( 0.000 4.195 0.000) 4.195 15.991 ( 0.000 -3.622 0.000) 3.622 16.106 ( 0.000 31.896 0.000) 31.896 16.547 ( 0.000 8.740 0.000) 8.740 16.700 ( 0.000 -5.113 0.000) 5.113 17.590 ( 0.000 -24.021 0.000) 24.021 18.451 ( 0.000 1.787 0.000) 1.787 18.533 ( 0.000 -1.702 0.000) 1.702 21.254 ( 0.000 10.771 0.000) 10.771 21.778 ( 0.000 -11.520 0.000) 11.520 23.620 ( 0.000 2.376 0.000) 2.376 23.870 ( 0.000 -8.614 0.000) 8.614 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 8.374 20.102 0.000) 21.777 1.417 ( 12.656 20.806 0.000) 24.353 1.992 ( 2.471 -12.254 0.000) 12.500 2.063 ( -2.476 -7.254 0.000) 7.665 2.215 ( 11.463 5.347 0.000) 12.649 2.348 ( 3.570 -10.690 0.000) 11.271 2.610 ( -4.972 2.879 0.000) 5.746 2.716 ( 7.680 17.416 0.000) 19.034 2.743 ( -6.372 -1.476 0.000) 6.541 2.889 ( 0.438 4.072 0.000) 4.095 3.216 ( -8.756 4.580 0.000) 9.882 3.245 ( -3.804 -9.491 0.000) 10.225 3.607 ( -0.614 1.926 0.000) 2.022 3.641 ( 8.406 6.975 0.000) 10.923 3.652 ( -2.916 5.652 0.000) 6.360 3.838 ( 10.096 -2.804 0.000) 10.478 4.075 ( 7.847 7.326 0.000) 10.735 4.270 ( 2.975 27.382 0.000) 27.543 4.700 ( 10.925 -16.712 0.000) 19.966 5.233 ( 1.782 -14.138 0.000) 14.250 5.908 ( -4.191 1.364 0.000) 4.408 5.956 ( 3.780 13.295 0.000) 13.822 6.062 ( -6.180 -6.231 0.000) 8.776 6.292 ( -3.973 1.864 0.000) 4.389 6.354 ( -3.596 -2.007 0.000) 4.118 6.421 ( -12.402 9.467 0.000) 15.602 6.647 ( -3.456 -2.132 0.000) 4.061 6.708 ( -1.452 -16.226 0.000) 16.291 7.518 ( -1.969 15.398 0.000) 15.524 7.965 ( 11.039 -5.855 0.000) 12.496 7.968 ( 0.499 7.887 0.000) 7.903 8.387 ( -3.736 -11.457 0.000) 12.051 8.939 ( 25.959 -5.618 0.000) 26.560 9.175 ( 14.878 -11.367 0.000) 18.723 10.119 ( -4.410 8.341 0.000) 9.435 10.554 ( -9.086 -9.961 0.000) 13.483 10.726 ( 6.907 16.290 0.000) 17.694 11.313 ( -5.300 0.542 0.000) 5.328 11.347 ( 11.333 -7.905 0.000) 13.818 11.469 ( -7.099 -5.247 0.000) 8.828 12.461 ( -4.603 18.012 0.000) 18.591 12.471 ( -5.725 4.854 0.000) 7.506 12.884 ( -2.496 -10.346 0.000) 10.643 13.169 ( -0.521 -12.540 0.000) 12.551 13.619 ( -1.178 15.814 0.000) 15.858 13.802 ( -0.221 14.421 0.000) 14.423 14.205 ( 3.929 -10.925 0.000) 11.610 14.387 ( -0.429 -11.622 0.000) 11.630 15.950 ( 13.755 4.531 0.000) 14.482 16.117 ( 10.710 -2.513 0.000) 11.001 16.144 ( 3.669 31.875 0.000) 32.086 16.587 ( 4.204 7.912 0.000) 8.960 16.749 ( 5.063 -4.931 0.000) 7.067 17.593 ( 0.200 -23.752 0.000) 23.753 18.388 ( -5.951 2.083 0.000) 6.305 18.485 ( -4.882 -1.953 0.000) 5.259 21.333 ( 7.990 6.582 0.000) 10.352 21.819 ( 4.392 -11.998 0.000) 12.777 23.569 ( -5.183 2.582 0.000) 5.791 23.832 ( -4.053 -8.901 0.000) 9.780 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 9.513 12.021 0.000) 15.330 1.652 ( 11.171 11.716 0.000) 16.189 1.979 ( -5.463 -7.107 0.000) 8.964 2.051 ( 3.338 -12.995 0.000) 13.417 2.338 ( 0.317 -5.452 0.000) 5.462 2.467 ( 5.904 -9.017 0.000) 10.778 2.500 ( -5.936 1.065 0.000) 6.031 2.601 ( -6.839 -0.198 0.000) 6.842 2.862 ( -3.522 3.148 0.000) 4.724 2.939 ( 6.278 16.822 0.000) 17.955 3.026 ( -6.198 6.640 0.000) 9.083 3.145 ( -6.090 -7.881 0.000) 9.960 3.486 ( 4.444 11.162 0.000) 12.014 3.868 ( 13.681 11.483 0.000) 17.861 3.941 ( 21.370 -0.093 0.000) 21.370 4.095 ( 15.072 -0.113 0.000) 15.073 4.224 ( 7.226 11.565 0.000) 13.637 4.376 ( 8.594 21.784 0.000) 23.418 4.916 ( 10.284 -16.603 0.000) 19.530 5.268 ( 1.369 -13.524 0.000) 13.594 5.791 ( -7.894 1.709 0.000) 8.077 5.915 ( -8.027 -4.628 0.000) 9.265 6.002 ( -2.423 11.982 0.000) 12.225 6.205 ( -8.156 0.058 0.000) 8.156 6.215 ( -5.021 0.147 0.000) 5.023 6.246 ( -5.129 9.982 0.000) 11.222 6.568 ( -3.369 -4.626 0.000) 5.723 6.699 ( 0.590 -15.149 0.000) 15.161 7.585 ( 6.277 14.965 0.000) 16.228 7.981 ( 0.864 4.701 0.000) 4.780 8.159 ( 7.284 -9.887 0.000) 12.280 8.286 ( -6.340 -9.008 0.000) 11.016 9.202 ( 10.071 4.915 0.000) 11.207 9.683 ( 25.278 -18.028 0.000) 31.048 10.013 ( -6.073 7.025 0.000) 9.286 10.367 ( -9.062 -7.767 0.000) 11.935 10.901 ( 10.339 18.409 0.000) 21.114 11.193 ( -5.622 2.316 0.000) 6.081 11.352 ( -2.911 -3.260 0.000) 4.370 11.601 ( 13.615 -8.135 0.000) 15.860 12.327 ( -8.309 4.414 0.000) 9.409 12.350 ( -6.767 17.831 0.000) 19.072 12.778 ( -8.561 -11.294 0.000) 14.172 13.095 ( -7.043 -14.993 0.000) 16.565 13.655 ( 4.595 18.328 0.000) 18.895 13.814 ( 1.504 13.869 0.000) 13.951 14.276 ( 2.962 -11.023 0.000) 11.414 14.376 ( -0.666 -11.128 0.000) 11.148 16.234 ( 4.932 31.480 0.000) 31.864 16.243 ( 10.864 7.677 0.000) 13.303 16.390 ( 19.562 -0.325 0.000) 19.564 16.721 ( 9.720 6.115 0.000) 11.484 16.898 ( 10.084 -4.549 0.000) 11.063 17.589 ( -0.839 -22.755 0.000) 22.770 18.231 ( -9.981 2.110 0.000) 10.202 18.342 ( -9.582 -2.311 0.000) 9.857 21.564 ( 15.438 0.838 0.000) 15.461 21.965 ( 10.791 -12.527 0.000) 16.534 23.415 ( -10.594 2.940 0.000) 10.995 23.703 ( -9.289 -9.585 0.000) 13.347 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 6.213 4.834 0.000) 7.872 1.856 ( 2.035 0.341 0.000) 2.063 1.875 ( 2.712 -0.566 0.000) 2.771 2.115 ( 2.712 -15.238 0.000) 15.477 2.339 ( 0.516 -1.607 0.000) 1.687 2.390 ( -4.269 3.748 0.000) 5.680 2.508 ( -2.688 -0.637 0.000) 2.762 2.514 ( -0.227 -9.513 0.000) 9.516 2.753 ( -7.132 3.301 0.000) 7.859 2.799 ( -8.784 3.972 0.000) 9.640 2.947 ( -7.302 -0.094 0.000) 7.303 3.020 ( -6.335 -6.558 0.000) 9.118 3.907 ( 29.010 24.177 0.000) 37.764 4.112 ( 9.587 21.173 0.000) 23.242 4.333 ( 10.785 13.366 0.000) 17.175 4.407 ( 16.844 4.151 0.000) 17.348 4.430 ( 20.797 0.399 0.000) 20.801 4.634 ( 17.302 7.489 0.000) 18.853 5.097 ( 8.242 -16.635 0.000) 18.565 5.273 ( -1.226 -10.749 0.000) 10.818 5.601 ( -11.166 1.482 0.000) 11.264 5.725 ( -12.011 -5.383 0.000) 13.162 5.794 ( -17.171 4.876 0.000) 17.850 5.937 ( -15.432 -2.232 0.000) 15.593 6.208 ( 0.793 8.981 0.000) 9.016 6.244 ( 2.873 5.965 0.000) 6.621 6.549 ( 1.583 -6.914 0.000) 7.093 6.710 ( -0.080 -12.983 0.000) 12.983 7.714 ( 6.533 10.598 0.000) 12.450 8.001 ( 0.833 0.674 0.000) 1.072 8.156 ( -6.114 -5.477 0.000) 8.209 8.225 ( -0.229 -11.866 0.000) 11.868 9.414 ( 10.864 12.721 0.000) 16.729 9.885 ( -6.812 7.339 0.000) 10.013 10.029 ( 9.732 -15.452 0.000) 18.261 10.221 ( -5.519 -7.480 0.000) 9.296 11.106 ( 9.690 20.437 0.000) 22.618 11.143 ( 0.777 5.527 0.000) 5.581 11.409 ( 9.620 -4.667 0.000) 10.693 11.836 ( 8.391 -1.515 0.000) 8.527 12.183 ( -5.045 -3.910 0.000) 6.382 12.194 ( -8.932 16.602 0.000) 18.852 12.563 ( -11.950 -9.710 0.000) 15.397 12.913 ( -10.923 -14.415 0.000) 18.086 13.763 ( 5.576 14.924 0.000) 15.932 13.854 ( 2.159 11.905 0.000) 12.099 14.319 ( 1.478 -10.186 0.000) 10.292 14.362 ( -0.704 -10.271 0.000) 10.295 16.323 ( 3.930 29.728 0.000) 29.987 16.370 ( 3.528 15.759 0.000) 16.149 16.818 ( 21.382 -5.141 0.000) 21.991 16.970 ( 15.357 4.734 0.000) 16.070 17.141 ( 14.382 -4.239 0.000) 14.993 17.548 ( -3.644 -20.448 0.000) 20.770 17.992 ( -14.426 2.454 0.000) 14.633 18.111 ( -13.894 -2.460 0.000) 14.110 21.927 ( 21.002 -1.059 0.000) 21.028 22.251 ( 18.231 -12.206 0.000) 21.940 23.153 ( -16.002 2.843 0.000) 16.252 23.459 ( -15.605 -10.304 0.000) 18.700 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 4.054 1.065 0.000) 4.191 1.763 ( -4.567 -0.118 0.000) 4.568 2.044 ( 7.067 -7.017 0.000) 9.959 2.129 ( -1.662 -14.770 0.000) 14.863 2.368 ( 1.707 5.048 0.000) 5.328 2.371 ( 2.392 2.641 0.000) 3.563 2.476 ( -2.692 -5.139 0.000) 5.802 2.477 ( -1.384 -1.931 0.000) 2.376 2.623 ( -3.977 3.739 0.000) 5.458 2.653 ( -5.736 1.535 0.000) 5.938 2.857 ( -0.586 -3.583 0.000) 3.631 2.907 ( -4.769 -5.699 0.000) 7.431 4.236 ( 3.483 26.545 0.000) 26.772 4.245 ( 3.979 27.875 0.000) 28.157 4.702 ( 27.356 8.218 0.000) 28.564 4.730 ( 13.820 3.597 0.000) 14.281 4.796 ( 11.625 3.960 0.000) 12.281 5.001 ( 18.390 1.100 0.000) 18.423 5.178 ( -12.368 0.724 0.000) 12.389 5.228 ( 2.172 -9.942 0.000) 10.177 5.388 ( -8.696 -2.007 0.000) 8.924 5.418 ( -15.417 -2.389 0.000) 15.601 5.479 ( -8.007 -8.766 0.000) 11.873 5.625 ( -15.443 -7.925 0.000) 17.358 6.248 ( 2.417 8.023 0.000) 8.379 6.276 ( -0.007 7.244 0.000) 7.244 6.611 ( 4.044 -8.973 0.000) 9.842 6.683 ( -2.759 -10.970 0.000) 11.311 7.839 ( 6.273 5.384 0.000) 8.267 7.959 ( -5.463 0.444 0.000) 5.481 8.112 ( 2.149 -5.237 0.000) 5.661 8.179 ( -3.682 -9.300 0.000) 10.003 9.604 ( 8.319 12.426 0.000) 14.954 9.750 ( -6.964 9.526 0.000) 11.800 10.121 ( 1.640 -10.878 0.000) 11.001 10.149 ( -2.048 -8.614 0.000) 8.854 11.200 ( 3.982 12.325 0.000) 12.952 11.235 ( 2.168 19.503 0.000) 19.623 11.704 ( 18.360 -9.106 0.000) 20.494 11.906 ( 2.042 8.884 0.000) 9.116 12.017 ( -8.226 14.479 0.000) 16.653 12.051 ( -13.588 -11.554 0.000) 17.836 12.471 ( 6.248 -11.198 0.000) 12.824 12.681 ( -12.333 -13.741 0.000) 18.464 13.852 ( 3.133 11.829 0.000) 12.237 13.881 ( 0.191 10.784 0.000) 10.786 14.338 ( 0.638 -9.501 0.000) 9.522 14.349 ( -0.585 -9.535 0.000) 9.553 16.383 ( 2.142 26.577 0.000) 26.664 16.404 ( 0.153 22.099 0.000) 22.099 17.182 ( 15.228 -11.761 0.000) 19.241 17.307 ( 18.452 3.833 0.000) 18.846 17.393 ( -1.268 -14.176 0.000) 14.233 17.491 ( 9.657 -6.203 0.000) 11.478 17.671 ( -17.945 3.131 0.000) 18.216 17.806 ( -16.750 -2.635 0.000) 16.956 22.363 ( 22.655 0.018 0.000) 22.655 22.659 ( 22.483 -11.466 0.000) 25.238 22.792 ( -20.500 1.796 0.000) 20.578 23.096 ( -21.048 -10.873 0.000) 23.691 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.000 -19.640 0.000) 19.640 1.621 ( 0.000 19.640 0.000) 19.640 1.784 ( 0.000 -22.847 0.000) 22.847 1.784 ( 0.000 22.847 0.000) 22.847 2.119 ( 0.000 -1.891 0.000) 1.891 2.119 ( 0.000 1.891 0.000) 1.891 2.746 ( 0.000 -2.905 0.000) 2.905 2.746 ( 0.000 2.905 0.000) 2.905 3.058 ( 0.000 -10.408 0.000) 10.408 3.058 ( 0.000 10.408 0.000) 10.408 3.113 ( 0.000 -17.798 0.000) 17.798 3.113 ( 0.000 17.798 0.000) 17.798 3.654 ( 0.000 -4.116 0.000) 4.116 3.654 ( 0.000 4.116 0.000) 4.116 3.773 ( 0.000 -9.608 0.000) 9.608 3.773 ( 0.000 9.608 0.000) 9.608 4.180 ( 0.000 -17.178 0.000) 17.178 4.180 ( 0.000 17.178 0.000) 17.178 4.811 ( 0.000 -23.574 0.000) 23.574 4.811 ( 0.000 23.574 0.000) 23.574 6.013 ( 0.000 -4.058 0.000) 4.058 6.013 ( 0.000 4.058 0.000) 4.058 6.220 ( 0.000 -13.108 0.000) 13.108 6.220 ( 0.000 13.108 0.000) 13.108 6.439 ( 0.000 -8.375 0.000) 8.375 6.439 ( 0.000 8.375 0.000) 8.375 6.655 ( 0.000 -1.585 0.000) 1.585 6.655 ( 0.000 1.585 0.000) 1.585 7.724 ( 0.000 -0.180 0.000) 0.180 7.724 ( 0.000 0.180 0.000) 0.180 8.176 ( 0.000 -10.866 0.000) 10.866 8.176 ( 0.000 10.866 0.000) 10.866 8.772 ( 0.000 -14.491 0.000) 14.491 8.772 ( 0.000 14.491 0.000) 14.491 10.399 ( 0.000 -12.096 0.000) 12.096 10.399 ( 0.000 12.096 0.000) 12.096 10.981 ( 0.000 -14.452 0.000) 14.452 10.981 ( 0.000 14.452 0.000) 14.452 11.423 ( 0.000 -4.563 0.000) 4.563 11.423 ( 0.000 4.563 0.000) 4.563 12.693 ( 0.000 -9.819 0.000) 9.819 12.693 ( 0.000 9.819 0.000) 9.819 12.874 ( 0.000 -16.073 0.000) 16.073 12.874 ( 0.000 16.073 0.000) 16.073 13.912 ( 0.000 -12.665 0.000) 12.665 13.912 ( 0.000 12.665 0.000) 12.665 14.112 ( 0.000 -14.091 0.000) 14.091 14.112 ( 0.000 14.091 0.000) 14.091 15.904 ( 0.000 -4.462 0.000) 4.462 15.904 ( 0.000 4.462 0.000) 4.462 16.558 ( 0.000 -9.348 0.000) 9.348 16.558 ( 0.000 9.348 0.000) 9.348 16.981 ( 0.000 -30.862 0.000) 30.862 16.981 ( 0.000 30.862 0.000) 30.862 18.492 ( 0.000 -2.010 0.000) 2.010 18.492 ( 0.000 2.010 0.000) 2.010 21.512 ( 0.000 -12.891 0.000) 12.891 21.512 ( 0.000 12.891 0.000) 12.891 23.708 ( 0.000 -6.065 0.000) 6.065 23.708 ( 0.000 6.065 0.000) 6.065 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 3.383 -18.332 0.000) 18.642 1.657 ( 3.383 18.332 0.000) 18.642 1.823 ( 2.213 -16.044 0.000) 16.196 1.823 ( 2.213 16.044 0.000) 16.196 2.192 ( 6.519 -1.076 0.000) 6.608 2.192 ( 6.519 1.076 0.000) 6.608 2.680 ( -5.863 -3.527 0.000) 6.842 2.680 ( -5.863 3.527 0.000) 6.842 3.044 ( -1.728 -9.034 0.000) 9.198 3.044 ( -1.728 9.034 0.000) 9.198 3.157 ( 3.278 -13.026 0.000) 13.432 3.157 ( 3.278 13.026 0.000) 13.432 3.654 ( -5.575 -3.167 0.000) 6.412 3.654 ( -5.575 3.167 0.000) 6.412 3.758 ( 10.159 -4.536 0.000) 11.126 3.758 ( 10.159 4.536 0.000) 11.126 4.332 ( 11.165 -16.046 0.000) 19.549 4.332 ( 11.165 16.046 0.000) 19.549 4.832 ( 2.079 -23.439 0.000) 23.531 4.832 ( 2.079 23.439 0.000) 23.531 5.957 ( -5.055 -3.522 0.000) 6.161 5.957 ( -5.055 3.522 0.000) 6.161 6.255 ( 3.044 -10.496 0.000) 10.929 6.255 ( 3.044 10.496 0.000) 10.929 6.381 ( -5.590 -9.398 0.000) 10.935 6.381 ( -5.590 9.398 0.000) 10.935 6.572 ( -7.085 -5.092 0.000) 8.725 6.572 ( -7.085 5.092 0.000) 8.725 7.789 ( 5.536 -10.442 0.000) 11.819 7.789 ( 5.536 10.442 0.000) 11.819 8.158 ( -1.803 -9.896 0.000) 10.059 8.158 ( -1.803 9.896 0.000) 10.059 8.972 ( 18.217 -6.940 0.000) 19.494 8.972 ( 18.217 6.940 0.000) 19.494 10.326 ( -6.424 -10.762 0.000) 12.533 10.326 ( -6.424 10.762 0.000) 12.533 11.081 ( 9.145 -15.859 0.000) 18.307 11.081 ( 9.145 15.859 0.000) 18.307 11.364 ( -5.285 -4.036 0.000) 6.650 11.364 ( -5.285 4.036 0.000) 6.650 12.652 ( -4.313 -10.778 0.000) 11.609 12.652 ( -4.313 10.778 0.000) 11.609 12.841 ( -3.386 -17.222 0.000) 17.552 12.841 ( -3.386 17.222 0.000) 17.552 13.941 ( 2.688 -13.904 0.000) 14.161 13.941 ( 2.688 13.904 0.000) 14.161 14.110 ( -0.168 -14.063 0.000) 14.064 14.110 ( -0.168 14.063 0.000) 14.064 16.044 ( 13.176 -4.115 0.000) 13.803 16.044 ( 13.176 4.115 0.000) 13.803 16.609 ( 5.259 -9.299 0.000) 10.683 16.609 ( 5.259 9.299 0.000) 10.683 16.992 ( 1.106 -30.222 0.000) 30.242 16.992 ( 1.106 30.222 0.000) 30.242 18.437 ( -5.439 -2.394 0.000) 5.943 18.437 ( -5.439 2.394 0.000) 5.943 21.550 ( 4.281 -12.445 0.000) 13.161 21.550 ( 4.281 12.445 0.000) 13.161 23.663 ( -4.672 -6.365 0.000) 7.896 23.663 ( -4.672 6.365 0.000) 7.896 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 3.667 -15.672 0.000) 16.095 1.732 ( 3.667 15.672 0.000) 16.095 1.848 ( 0.775 -6.561 0.000) 6.606 1.848 ( 0.775 6.561 0.000) 6.606 2.304 ( 3.875 -3.742 0.000) 5.387 2.304 ( 3.875 3.742 0.000) 5.387 2.555 ( -6.084 -3.233 0.000) 6.890 2.555 ( -6.084 3.233 0.000) 6.890 2.982 ( -4.517 -7.173 0.000) 8.477 2.982 ( -4.517 7.173 0.000) 8.477 3.105 ( -9.173 -1.779 0.000) 9.344 3.105 ( -9.173 1.779 0.000) 9.344 3.798 ( 20.750 -13.440 0.000) 24.723 3.798 ( 20.750 13.440 0.000) 24.723 4.029 ( 16.725 -5.071 0.000) 17.476 4.029 ( 16.725 5.071 0.000) 17.476 4.538 ( 9.294 -17.364 0.000) 19.695 4.538 ( 9.294 17.364 0.000) 19.695 4.886 ( 3.256 -22.256 0.000) 22.493 4.886 ( 3.256 22.256 0.000) 22.493 5.833 ( -7.693 -2.694 0.000) 8.151 5.833 ( -7.693 2.694 0.000) 8.151 6.182 ( -11.869 -2.374 0.000) 12.104 6.182 ( -11.869 2.374 0.000) 12.104 6.360 ( 4.216 -14.901 0.000) 15.486 6.360 ( 4.216 14.901 0.000) 15.486 6.438 ( -5.326 -7.655 0.000) 9.326 6.438 ( -5.326 7.655 0.000) 9.326 7.896 ( 4.671 -13.996 0.000) 14.755 7.896 ( 4.671 13.996 0.000) 14.755 8.110 ( -2.927 -7.276 0.000) 7.842 8.110 ( -2.927 7.276 0.000) 7.842 9.376 ( 20.465 -11.250 0.000) 23.353 9.376 ( 20.465 11.250 0.000) 23.353 10.184 ( -7.361 -8.749 0.000) 11.434 10.184 ( -7.361 8.749 0.000) 11.434 11.265 ( -3.392 -4.243 0.000) 5.433 11.265 ( -3.392 4.243 0.000) 5.433 11.302 ( 12.671 -17.990 0.000) 22.005 11.302 ( 12.671 17.990 0.000) 22.005 12.523 ( -8.715 -11.942 0.000) 14.784 12.523 ( -8.715 11.942 0.000) 14.784 12.738 ( -7.144 -18.009 0.000) 19.374 12.738 ( -7.144 18.009 0.000) 19.374 14.005 ( 3.524 -14.484 0.000) 14.906 14.005 ( 3.524 14.484 0.000) 14.906 14.110 ( 0.226 -13.535 0.000) 13.537 14.110 ( 0.226 13.535 0.000) 13.537 16.356 ( 16.863 -3.184 0.000) 17.161 16.356 ( 16.863 3.184 0.000) 17.161 16.760 ( 9.825 -10.264 0.000) 14.208 16.760 ( 9.825 10.264 0.000) 14.208 17.021 ( 1.903 -27.143 0.000) 27.209 17.021 ( 1.903 27.143 0.000) 27.209 18.286 ( -9.854 -2.816 0.000) 10.249 18.286 ( -9.854 2.816 0.000) 10.249 21.702 ( 11.702 -10.791 0.000) 15.918 21.702 ( 11.702 10.791 0.000) 15.918 23.520 ( -10.099 -7.020 0.000) 12.300 23.520 ( -10.099 7.020 0.000) 12.300 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 2.124 -13.642 0.000) 13.806 1.789 ( 2.124 13.642 0.000) 13.806 1.861 ( 0.393 -1.713 0.000) 1.757 1.861 ( 0.393 1.713 0.000) 1.757 2.356 ( 2.199 -4.234 0.000) 4.771 2.356 ( 2.199 4.234 0.000) 4.771 2.464 ( -2.853 -3.030 0.000) 4.162 2.464 ( -2.853 3.030 0.000) 4.162 2.874 ( -6.159 -6.914 0.000) 9.260 2.874 ( -6.159 6.914 0.000) 9.260 2.899 ( -9.971 -4.037 0.000) 10.757 2.899 ( -9.971 4.037 0.000) 10.757 4.320 ( 29.294 -11.426 0.000) 31.444 4.320 ( 29.294 11.426 0.000) 31.444 4.380 ( 17.832 -6.002 0.000) 18.815 4.380 ( 17.832 6.002 0.000) 18.815 4.690 ( 6.338 -19.765 0.000) 20.756 4.690 ( 6.338 19.765 0.000) 20.756 4.959 ( 4.452 -18.097 0.000) 18.636 4.959 ( 4.452 18.097 0.000) 18.636 5.640 ( -12.177 -2.591 0.000) 12.449 5.640 ( -12.177 2.591 0.000) 12.449 5.881 ( -18.472 -3.220 0.000) 18.751 5.881 ( -18.472 3.220 0.000) 18.751 6.389 ( 0.236 -8.056 0.000) 8.060 6.389 ( 0.236 8.056 0.000) 8.060 6.434 ( 2.694 -11.745 0.000) 12.050 6.434 ( 2.694 11.745 0.000) 12.050 7.962 ( 2.032 -12.358 0.000) 12.524 7.962 ( 2.032 12.358 0.000) 12.524 8.052 ( -2.741 -3.916 0.000) 4.780 8.052 ( -2.741 3.916 0.000) 4.780 9.707 ( 12.409 -14.582 0.000) 19.147 9.707 ( 12.409 14.582 0.000) 19.147 10.052 ( -5.906 -8.100 0.000) 10.025 10.052 ( -5.906 8.100 0.000) 10.025 11.280 ( 5.612 -6.847 0.000) 8.853 11.280 ( 5.612 6.847 0.000) 8.853 11.549 ( 11.298 -19.879 0.000) 22.866 11.549 ( 11.298 19.879 0.000) 22.866 12.325 ( -10.386 -11.624 0.000) 15.588 12.325 ( -10.386 11.624 0.000) 15.588 12.566 ( -10.176 -17.571 0.000) 20.305 12.566 ( -10.176 17.571 0.000) 20.305 14.068 ( 2.766 -13.239 0.000) 13.525 14.068 ( 2.766 13.239 0.000) 13.525 14.118 ( 0.475 -12.338 0.000) 12.347 14.118 ( 0.475 12.338 0.000) 12.347 16.655 ( 12.916 -10.476 0.000) 16.630 16.655 ( 12.916 10.476 0.000) 16.630 16.942 ( 5.221 -22.787 0.000) 23.377 16.942 ( 5.221 22.787 0.000) 23.377 17.107 ( 9.748 -11.160 0.000) 14.818 17.107 ( 9.748 11.160 0.000) 14.818 18.051 ( -14.033 -2.958 0.000) 14.341 18.051 ( -14.033 2.958 0.000) 14.341 22.013 ( 19.637 -8.686 0.000) 21.472 22.013 ( 19.637 8.686 0.000) 21.472 23.262 ( -16.157 -7.503 0.000) 17.815 23.262 ( -16.157 7.503 0.000) 17.815 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 1.659 -11.822 0.000) 11.938 1.824 ( 1.659 11.822 0.000) 11.938 1.854 ( -1.179 -8.266 0.000) 8.350 1.854 ( -1.179 8.266 0.000) 8.350 2.404 ( 2.388 -1.741 0.000) 2.955 2.404 ( 2.388 1.741 0.000) 2.955 2.434 ( -0.856 -2.091 0.000) 2.260 2.434 ( -0.856 2.091 0.000) 2.260 2.757 ( -3.775 -5.628 0.000) 6.777 2.757 ( -3.775 5.628 0.000) 6.777 2.764 ( -4.033 -7.471 0.000) 8.490 2.764 ( -4.033 7.471 0.000) 8.490 4.663 ( 9.105 -11.753 0.000) 14.867 4.663 ( 9.105 11.753 0.000) 14.867 4.720 ( 3.403 -11.192 0.000) 11.698 4.720 ( 3.403 11.192 0.000) 11.698 4.944 ( 26.275 -13.027 0.000) 29.327 4.944 ( 26.275 13.027 0.000) 29.327 5.095 ( 10.568 -7.757 0.000) 13.110 5.095 ( 10.568 7.757 0.000) 13.110 5.366 ( -14.949 -1.254 0.000) 15.001 5.366 ( -14.949 1.254 0.000) 15.001 5.461 ( -24.181 -6.466 0.000) 25.030 5.461 ( -24.181 6.466 0.000) 25.030 6.422 ( 2.355 -8.546 0.000) 8.865 6.422 ( 2.355 8.546 0.000) 8.865 6.455 ( -0.535 -9.763 0.000) 9.777 6.455 ( -0.535 9.763 0.000) 9.777 7.987 ( 0.886 -8.280 0.000) 8.327 7.987 ( 0.886 8.280 0.000) 8.327 8.009 ( -1.577 -3.951 0.000) 4.254 8.009 ( -1.577 3.951 0.000) 4.254 9.871 ( 5.212 -12.353 0.000) 13.408 9.871 ( 5.212 12.353 0.000) 13.408 9.955 ( -4.146 -9.498 0.000) 10.363 9.955 ( -4.146 9.498 0.000) 10.363 11.469 ( 12.199 -12.378 0.000) 17.379 11.469 ( 12.199 12.378 0.000) 17.379 11.657 ( -3.169 -19.210 0.000) 19.469 11.657 ( -3.169 19.210 0.000) 19.469 12.206 ( 1.340 -13.126 0.000) 13.194 12.206 ( 1.340 13.126 0.000) 13.194 12.353 ( -10.759 -16.308 0.000) 19.538 12.353 ( -10.759 16.308 0.000) 19.538 14.109 ( 1.363 -11.755 0.000) 11.834 14.109 ( 1.363 11.755 0.000) 11.834 14.123 ( -0.098 -11.407 0.000) 11.408 14.123 ( -0.098 11.407 0.000) 11.408 16.854 ( 7.387 -18.920 0.000) 20.311 16.854 ( 7.387 18.920 0.000) 20.311 16.951 ( -2.630 -25.096 0.000) 25.233 16.951 ( -2.630 25.096 0.000) 25.233 17.395 ( 17.319 -4.205 0.000) 17.822 17.395 ( 17.319 4.205 0.000) 17.822 17.741 ( -17.218 -3.326 0.000) 17.536 17.741 ( -17.218 3.326 0.000) 17.536 22.444 ( 23.263 -7.601 0.000) 24.473 22.444 ( 23.263 7.601 0.000) 24.473 22.890 ( -21.391 -7.537 0.000) 22.680 22.890 ( -21.391 7.537 0.000) 22.680 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 0.000 26.656) 26.656 0.638 ( 0.000 0.000 29.876) 29.876 1.052 ( 0.000 0.000 50.232) 50.232 2.178 ( 0.000 0.000 2.264) 2.264 2.398 ( 0.000 0.000 0.439) 0.439 2.521 ( 0.000 0.000 -1.593) 1.593 2.572 ( 0.000 0.000 -6.677) 6.677 2.837 ( 0.000 0.000 -2.918) 2.918 2.889 ( 0.000 0.000 5.833) 5.833 2.921 ( 0.000 0.000 -12.904) 12.904 2.943 ( 0.000 0.000 -16.646) 16.646 3.106 ( 0.000 0.000 -2.273) 2.273 3.173 ( 0.000 0.000 0.068) 0.068 3.179 ( 0.000 0.000 8.950) 8.950 3.644 ( 0.000 0.000 -1.738) 1.738 3.742 ( 0.000 0.000 16.012) 16.012 3.884 ( 0.000 0.000 0.218) 0.218 4.118 ( 0.000 0.000 7.299) 7.299 5.024 ( 0.000 0.000 7.403) 7.403 5.413 ( 0.000 0.000 1.656) 1.656 5.594 ( 0.000 0.000 -6.016) 6.016 5.971 ( 0.000 0.000 -7.775) 7.775 6.056 ( 0.000 0.000 15.743) 15.743 6.181 ( 0.000 0.000 -12.312) 12.312 6.370 ( 0.000 0.000 6.635) 6.635 6.569 ( 0.000 0.000 -8.114) 8.114 6.642 ( 0.000 0.000 -5.049) 5.049 6.772 ( 0.000 0.000 9.145) 9.145 7.671 ( 0.000 0.000 -3.816) 3.816 7.764 ( 0.000 0.000 -0.039) 0.039 8.249 ( 0.000 0.000 -6.230) 6.230 8.311 ( 0.000 0.000 7.093) 7.093 8.755 ( 0.000 0.000 -4.292) 4.292 9.550 ( 0.000 0.000 12.023) 12.023 10.198 ( 0.000 0.000 -3.938) 3.938 10.414 ( 0.000 0.000 12.865) 12.865 10.446 ( 0.000 0.000 2.163) 2.163 10.911 ( 0.000 0.000 -4.624) 4.624 11.388 ( 0.000 0.000 -5.936) 5.936 11.666 ( 0.000 0.000 -8.842) 8.842 12.018 ( 0.000 0.000 -1.370) 1.370 12.526 ( 0.000 0.000 -4.829) 4.829 12.935 ( 0.000 0.000 -14.590) 14.590 13.355 ( 0.000 0.000 -6.110) 6.110 13.715 ( 0.000 0.000 9.245) 9.245 14.302 ( 0.000 0.000 7.176) 7.176 14.484 ( 0.000 0.000 9.182) 9.182 14.696 ( 0.000 0.000 0.416) 0.416 15.276 ( 0.000 0.000 5.169) 5.169 15.663 ( 0.000 0.000 4.479) 4.479 16.085 ( 0.000 0.000 1.816) 1.816 16.150 ( 0.000 0.000 7.442) 7.442 16.481 ( 0.000 0.000 9.136) 9.136 18.091 ( 0.000 0.000 -0.532) 0.532 18.343 ( 0.000 0.000 -6.449) 6.449 18.504 ( 0.000 0.000 -6.639) 6.639 21.416 ( 0.000 0.000 6.527) 6.527 22.113 ( 0.000 0.000 5.998) 5.998 23.528 ( 0.000 0.000 -6.266) 6.266 24.081 ( 0.000 0.000 -3.483) 3.483 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 20.522 0.000 16.293) 26.204 0.866 ( 18.982 0.000 19.565) 27.260 1.493 ( 37.384 0.000 32.506) 49.539 2.219 ( 3.190 0.000 0.011) 3.190 2.412 ( 0.302 0.000 -0.290) 0.418 2.512 ( -0.727 0.000 -1.111) 1.328 2.563 ( -3.359 0.000 -6.321) 7.158 2.748 ( -15.463 0.000 -3.850) 15.935 2.765 ( -5.856 0.000 -4.538) 7.408 2.896 ( -1.203 0.000 -11.249) 11.313 2.964 ( 8.571 0.000 5.673) 10.279 3.117 ( 0.997 0.000 -1.256) 1.604 3.137 ( -1.128 0.000 0.125) 1.135 3.298 ( 8.580 0.000 -5.988) 10.463 3.586 ( -6.024 0.000 -0.779) 6.074 3.890 ( 12.965 0.000 16.634) 21.090 3.895 ( 1.827 0.000 -1.329) 2.259 4.127 ( 1.236 0.000 8.982) 9.067 5.184 ( 12.018 0.000 1.278) 12.086 5.429 ( 1.233 0.000 -2.351) 2.655 5.625 ( 2.642 0.000 -3.474) 4.365 5.832 ( -9.188 0.000 4.860) 10.394 6.038 ( -2.235 0.000 15.241) 15.404 6.146 ( -3.271 0.000 -12.958) 13.365 6.282 ( -4.350 0.000 1.355) 4.556 6.494 ( -14.179 0.000 0.297) 14.182 6.641 ( 0.330 0.000 3.944) 3.958 6.838 ( 15.384 0.000 0.917) 15.412 7.296 ( -14.895 0.000 11.981) 19.115 7.796 ( 4.779 0.000 1.336) 4.962 8.044 ( 9.383 0.000 1.158) 9.454 8.696 ( -5.914 0.000 -4.035) 7.159 9.234 ( 16.570 0.000 -23.723) 28.937 9.633 ( 10.524 0.000 -2.780) 10.885 10.208 ( 1.345 0.000 -14.231) 14.295 10.437 ( 2.407 0.000 12.324) 12.557 10.556 ( 10.872 0.000 1.944) 11.044 10.905 ( -1.502 0.000 -3.947) 4.223 11.359 ( -2.847 0.000 -5.290) 6.008 11.602 ( -5.797 0.000 -5.073) 7.703 11.971 ( -3.164 0.000 1.593) 3.542 12.421 ( -8.002 0.000 -6.287) 10.176 12.992 ( 4.050 0.000 -11.913) 12.582 13.276 ( -7.871 0.000 -5.249) 9.461 13.541 ( -18.596 0.000 29.584) 34.944 13.780 ( -5.911 0.000 23.644) 24.372 14.563 ( 1.209 0.000 2.552) 2.824 14.701 ( -0.574 0.000 1.211) 1.340 15.318 ( 4.195 0.000 3.739) 5.620 15.738 ( 6.376 0.000 -0.054) 6.376 16.107 ( 2.665 0.000 0.853) 2.799 16.526 ( 17.340 0.000 -15.136) 23.017 16.569 ( 9.191 0.000 12.233) 15.301 18.055 ( -4.070 0.000 -4.274) 5.901 18.314 ( -2.645 0.000 -3.692) 4.542 18.447 ( -5.894 0.000 -7.986) 9.926 21.688 ( 16.416 0.000 2.996) 16.687 22.165 ( 5.404 0.000 6.223) 8.242 23.475 ( -5.307 0.000 -6.046) 8.045 24.050 ( -3.239 0.000 -3.324) 4.641 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 23.129 0.000 6.472) 24.017 1.268 ( 20.464 0.000 8.571) 22.187 2.202 ( -8.009 0.000 -6.268) 10.171 2.256 ( 31.726 0.000 16.506) 35.763 2.401 ( 1.936 0.000 0.872) 2.123 2.422 ( -11.659 0.000 4.378) 12.454 2.493 ( -0.760 0.000 -2.606) 2.714 2.519 ( -2.222 0.000 -3.587) 4.219 2.646 ( -5.521 0.000 -7.785) 9.545 2.902 ( 1.919 0.000 -8.074) 8.299 3.078 ( -1.855 0.000 -0.222) 1.868 3.142 ( 2.054 0.000 1.124) 2.341 3.171 ( 6.697 0.000 1.442) 6.850 3.432 ( -8.650 0.000 1.585) 8.794 3.545 ( 16.776 0.000 -13.213) 21.355 3.895 ( -2.263 0.000 -2.576) 3.429 4.195 ( 17.314 0.000 15.712) 23.381 4.252 ( 12.596 0.000 5.528) 13.756 5.405 ( 9.756 0.000 0.640) 9.777 5.433 ( -1.838 0.000 -10.914) 11.068 5.659 ( -0.497 0.000 -1.865) 1.931 5.686 ( -7.183 0.000 3.564) 8.019 5.991 ( -0.604 0.000 13.054) 13.068 6.054 ( -6.258 0.000 -10.494) 12.219 6.214 ( -13.180 0.000 0.897) 13.210 6.252 ( 0.503 0.000 6.176) 6.196 6.682 ( 2.620 0.000 1.135) 2.855 7.119 ( -5.318 0.000 5.637) 7.750 7.162 ( 16.669 0.000 3.271) 16.987 7.915 ( 7.044 0.000 1.430) 7.188 8.296 ( 14.294 0.000 -1.071) 14.334 8.531 ( -10.612 0.000 -3.356) 11.130 9.246 ( -6.088 0.000 3.962) 7.264 9.737 ( -1.599 0.000 -9.985) 10.113 10.236 ( 0.922 0.000 -21.229) 21.249 10.507 ( 4.641 0.000 11.270) 12.189 10.792 ( -9.829 0.000 -0.417) 9.838 10.849 ( 17.385 0.000 1.171) 17.424 11.291 ( -3.085 0.000 -3.663) 4.789 11.533 ( -0.859 0.000 -4.713) 4.791 11.917 ( -3.132 0.000 2.321) 3.898 12.303 ( -2.228 0.000 -9.073) 9.343 13.055 ( 1.469 0.000 -12.444) 12.531 13.057 ( -14.110 0.000 -3.670) 14.579 13.424 ( 3.399 0.000 21.015) 21.288 13.756 ( 0.857 0.000 18.519) 18.539 14.578 ( 0.481 0.000 1.951) 2.009 14.679 ( -1.579 0.000 1.972) 2.526 15.432 ( 6.984 0.000 1.585) 7.162 15.841 ( 2.718 0.000 -4.548) 5.298 16.225 ( 10.087 0.000 -6.911) 12.227 16.784 ( 11.465 0.000 -15.931) 19.628 16.845 ( 18.536 0.000 17.273) 25.336 17.912 ( -10.776 0.000 -12.773) 16.712 18.250 ( -3.811 0.000 2.467) 4.539 18.275 ( -11.524 0.000 -11.430) 16.231 21.962 ( 12.680 0.000 8.158) 15.078 22.332 ( 11.701 0.000 6.463) 13.367 23.324 ( -9.990 0.000 -5.236) 11.279 23.944 ( -7.848 0.000 -2.694) 8.298 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 17.013 0.000 3.043) 17.283 1.667 ( 18.787 0.000 -0.204) 18.788 1.992 ( -9.779 0.000 -5.203) 11.077 2.200 ( -9.571 0.000 1.230) 9.650 2.293 ( -5.628 0.000 1.155) 5.746 2.443 ( -1.753 0.000 -4.818) 5.127 2.521 ( -1.607 0.000 -0.131) 1.613 2.527 ( -4.484 0.000 -4.978) 6.700 2.839 ( 13.336 0.000 5.087) 14.274 2.964 ( 4.030 0.000 -3.859) 5.580 3.048 ( 0.298 0.000 0.434) 0.526 3.187 ( -1.586 0.000 0.968) 1.858 3.239 ( 0.147 0.000 -0.277) 0.314 3.316 ( -0.584 0.000 4.569) 4.606 3.926 ( 20.930 0.000 -17.258) 27.128 3.936 ( 12.126 0.000 -2.924) 12.474 4.526 ( 14.289 0.000 9.669) 17.253 4.579 ( 19.234 0.000 0.377) 19.237 5.336 ( -6.947 0.000 -16.698) 18.086 5.449 ( -14.833 0.000 -5.307) 15.754 5.567 ( 2.504 0.000 0.080) 2.506 5.595 ( -5.363 0.000 -2.255) 5.818 5.897 ( -9.358 0.000 -1.600) 9.494 6.002 ( -7.479 0.000 3.124) 8.105 6.048 ( 5.435 0.000 15.443) 16.371 6.265 ( 0.156 0.000 11.711) 11.712 6.751 ( 4.714 0.000 1.077) 4.836 7.044 ( -3.177 0.000 1.883) 3.693 7.474 ( 14.993 0.000 3.018) 15.294 8.073 ( 9.160 0.000 2.121) 9.403 8.294 ( -13.148 0.000 -2.272) 13.343 8.521 ( 5.832 0.000 0.463) 5.850 9.142 ( -1.584 0.000 4.314) 4.596 9.631 ( -8.038 0.000 -6.028) 10.047 10.254 ( 1.444 0.000 -14.572) 14.644 10.589 ( -9.604 0.000 2.516) 9.929 10.616 ( 6.463 0.000 9.335) 11.354 11.037 ( -2.523 0.000 1.335) 2.854 11.415 ( 19.418 0.000 -1.914) 19.512 11.522 ( -0.299 0.000 -7.531) 7.537 11.815 ( -7.152 0.000 1.344) 7.277 12.377 ( 9.089 0.000 -10.266) 13.712 12.733 ( -18.742 0.000 -2.538) 18.913 13.011 ( -6.049 0.000 -14.343) 15.567 13.564 ( 8.979 0.000 15.614) 18.012 13.788 ( 1.769 0.000 16.451) 16.546 14.584 ( 0.126 0.000 1.490) 1.496 14.643 ( -1.950 0.000 2.279) 2.999 15.572 ( 6.904 0.000 0.454) 6.919 15.845 ( -1.699 0.000 -2.969) 3.421 16.495 ( 16.858 0.000 -17.537) 24.325 17.026 ( 13.716 0.000 -17.308) 22.083 17.256 ( 21.999 0.000 16.934) 27.762 17.637 ( -16.795 0.000 -19.062) 25.405 18.003 ( -15.837 0.000 -15.400) 22.090 18.151 ( -6.817 0.000 6.602) 9.490 22.218 ( 13.778 0.000 7.360) 15.621 22.624 ( 17.786 0.000 5.790) 18.705 23.091 ( -13.460 0.000 -3.467) 13.899 23.733 ( -13.754 0.000 -1.270) 13.813 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.029 0.000 -4.552) 4.552 1.888 ( -2.305 0.000 -7.928) 8.257 1.932 ( 12.898 0.000 0.836) 12.925 2.148 ( -9.122 0.000 0.413) 9.131 2.177 ( 9.958 0.000 4.369) 10.874 2.403 ( -9.984 0.000 0.941) 10.028 2.426 ( 0.275 0.000 -5.852) 5.858 2.455 ( -2.652 0.000 -5.876) 6.447 2.964 ( 3.177 0.000 6.108) 6.885 3.014 ( -0.991 0.000 3.875) 4.000 3.103 ( 4.617 0.000 0.406) 4.635 3.153 ( 2.755 0.000 -2.095) 3.461 3.195 ( -4.050 0.000 -0.014) 4.050 3.260 ( -5.943 0.000 0.850) 6.003 4.331 ( 19.441 0.000 -18.074) 26.545 4.394 ( 28.986 0.000 -5.623) 29.527 4.622 ( -7.044 0.000 -8.537) 11.068 4.859 ( -5.820 0.000 -5.213) 7.813 5.156 ( 1.018 0.000 -4.177) 4.300 5.289 ( 4.926 0.000 -6.874) 8.457 5.446 ( -15.685 0.000 -2.817) 15.936 5.453 ( -8.965 0.000 -1.738) 9.132 5.820 ( 2.475 0.000 5.932) 6.427 5.896 ( -4.410 0.000 5.035) 6.693 6.161 ( 5.373 0.000 16.152) 17.023 6.242 ( -2.658 0.000 14.953) 15.187 6.861 ( 6.032 0.000 0.405) 6.045 6.970 ( -4.697 0.000 0.435) 4.717 7.756 ( 13.929 0.000 1.381) 13.997 8.027 ( -13.773 0.000 -0.643) 13.788 8.272 ( 10.866 0.000 3.374) 11.378 8.475 ( -8.545 0.000 4.118) 9.486 9.239 ( 9.655 0.000 -1.804) 9.822 9.446 ( -10.471 0.000 -3.824) 11.147 10.308 ( 4.368 0.000 -6.819) 8.098 10.425 ( -7.235 0.000 -0.519) 7.254 10.757 ( 7.767 0.000 6.732) 10.278 10.914 ( -7.875 0.000 3.767) 8.730 11.550 ( 3.708 0.000 -5.294) 6.463 11.664 ( -7.427 0.000 -1.579) 7.593 11.868 ( 24.199 0.000 -1.691) 24.258 12.328 ( -22.267 0.000 -1.963) 22.353 12.602 ( 12.562 0.000 -10.918) 16.644 12.838 ( -10.950 0.000 -12.482) 16.604 13.723 ( 6.369 0.000 13.505) 14.932 13.798 ( -1.339 0.000 14.055) 14.118 14.588 ( 0.496 0.000 1.541) 1.618 14.608 ( -1.488 0.000 2.019) 2.508 15.695 ( 5.544 0.000 -0.402) 5.559 15.788 ( -3.910 0.000 -1.475) 4.179 16.866 ( 20.289 0.000 -22.203) 30.077 17.269 ( -20.198 0.000 -22.271) 30.066 17.326 ( 16.695 0.000 -18.625) 25.012 17.663 ( 18.509 0.000 13.229) 22.751 17.669 ( -17.715 0.000 -18.122) 25.343 17.966 ( -12.295 0.000 9.627) 15.616 22.504 ( 15.203 0.000 3.568) 15.616 22.806 ( -15.250 0.000 -0.454) 15.257 23.010 ( 20.787 0.000 3.765) 21.125 23.408 ( -19.001 0.000 1.056) 19.030 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 20.041 19.777) 28.156 0.903 ( 0.000 19.332 18.986) 27.096 1.511 ( 0.000 36.842 28.969) 46.867 2.123 ( 0.000 -5.523 -0.596) 5.555 2.338 ( 0.000 -4.712 3.119) 5.651 2.519 ( 0.000 -8.105 -6.587) 10.444 2.562 ( 0.000 1.553 -2.836) 3.233 2.737 ( 0.000 -7.368 -1.237) 7.471 2.804 ( 0.000 -5.996 -10.830) 12.379 2.848 ( 0.000 -4.803 4.322) 6.461 3.026 ( 0.000 4.838 -17.029) 17.703 3.279 ( 0.000 18.064 -13.669) 22.652 3.370 ( 0.000 11.993 7.611) 14.204 3.382 ( 0.000 11.657 -1.197) 11.719 3.550 ( 0.000 -4.827 4.280) 6.452 3.801 ( 0.000 -3.120 1.287) 3.375 3.858 ( 0.000 10.058 9.057) 13.535 4.101 ( 0.000 -1.081 8.170) 8.241 4.935 ( 0.000 -8.403 7.639) 11.356 5.579 ( 0.000 -0.207 8.657) 8.660 5.622 ( 0.000 2.365 -7.554) 7.915 6.032 ( 0.000 0.015 -21.758) 21.758 6.091 ( 0.000 3.324 15.289) 15.646 6.140 ( 0.000 3.284 -11.328) 11.795 6.385 ( 0.000 1.744 7.710) 7.905 6.505 ( 0.000 -4.333 0.868) 4.419 6.576 ( 0.000 0.567 -8.110) 8.130 7.038 ( 0.000 10.524 -0.507) 10.536 7.677 ( 0.000 -0.215 -4.810) 4.815 7.812 ( 0.000 4.993 0.250) 4.999 7.959 ( 0.000 -18.608 6.693) 19.775 8.374 ( 0.000 5.888 7.163) 9.272 8.650 ( 0.000 -9.058 -3.840) 9.839 9.334 ( 0.000 -11.784 7.836) 14.151 10.102 ( 0.000 1.483 4.299) 4.547 10.516 ( 0.000 9.179 12.549) 15.547 10.833 ( 0.000 -7.020 -4.032) 8.096 10.962 ( 0.000 21.222 -13.632) 25.223 11.347 ( 0.000 -2.589 -5.287) 5.887 11.617 ( 0.000 -4.263 -8.095) 9.149 12.165 ( 0.000 12.174 -2.122) 12.357 12.483 ( 0.000 -4.553 -3.053) 5.482 12.882 ( 0.000 -4.897 -14.422) 15.231 13.280 ( 0.000 -7.935 -4.922) 9.337 13.684 ( 0.000 2.579 10.681) 10.988 13.935 ( 0.000 -8.038 27.366) 28.522 14.435 ( 0.000 -4.550 9.620) 10.641 14.609 ( 0.000 -7.323 0.804) 7.367 15.536 ( 0.000 22.722 4.665) 23.196 15.789 ( 0.000 4.072 5.435) 6.791 16.127 ( 0.000 -2.118 7.344) 7.643 16.513 ( 0.000 17.972 -14.958) 23.383 16.517 ( 0.000 3.324 8.768) 9.377 17.958 ( 0.000 -11.825 -0.442) 11.833 18.354 ( 0.000 1.045 -6.453) 6.537 18.494 ( 0.000 -0.947 -6.625) 6.692 21.253 ( 0.000 -4.850 12.234) 13.161 22.030 ( 0.000 -7.582 5.199) 9.193 23.533 ( 0.000 0.569 -6.059) 6.086 24.005 ( 0.000 -6.706 -3.746) 7.681 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 14.053 14.883 16.394) 26.225 1.103 ( 15.353 18.141 11.756) 26.514 1.794 ( 26.871 26.588 21.088) 43.286 2.136 ( 0.733 -7.214 -2.369) 7.629 2.340 ( 0.043 -5.474 4.178) 6.886 2.483 ( -3.981 -7.124 -5.153) 9.652 2.555 ( -1.049 1.685 -2.320) 3.053 2.703 ( -3.956 -4.112 -2.197) 6.114 2.776 ( -3.190 -2.050 -3.499) 5.159 2.842 ( -3.269 -4.056 -3.831) 6.466 2.984 ( -0.609 2.807 -9.284) 9.719 3.245 ( -0.728 14.217 -5.980) 15.440 3.353 ( 2.371 8.472 -0.776) 8.832 3.394 ( -0.586 7.249 -1.491) 7.424 3.571 ( 0.877 5.606 1.965) 6.005 3.856 ( 4.011 -2.752 -1.709) 5.156 3.947 ( 8.441 5.119 9.749) 13.875 4.137 ( 5.370 2.313 11.355) 12.772 5.048 ( 9.636 -9.255 5.061) 14.287 5.592 ( 1.073 -0.726 4.740) 4.914 5.638 ( 1.319 0.968 -4.268) 4.571 5.889 ( -13.414 9.703 -10.255) 19.475 6.028 ( -5.657 -4.679 -8.258) 11.049 6.111 ( 0.899 2.694 10.559) 10.934 6.305 ( -6.808 0.908 -3.126) 7.546 6.487 ( -4.086 0.214 5.611) 6.944 6.618 ( 2.147 -1.130 -0.658) 2.514 7.082 ( 7.047 13.503 0.749) 15.250 7.246 ( -16.889 -1.735 11.760) 20.653 7.845 ( 3.503 4.576 1.047) 5.858 8.034 ( 10.431 -1.490 0.667) 10.558 8.580 ( -4.556 -9.456 -3.855) 11.182 9.144 ( 32.079 -9.614 -23.977) 41.187 9.339 ( 6.124 -16.380 11.290) 20.815 10.065 ( -3.133 0.112 2.446) 3.976 10.549 ( 2.837 9.520 11.264) 15.018 10.720 ( -6.148 -2.330 -0.372) 6.586 11.074 ( 4.885 13.862 -13.369) 19.869 11.324 ( -1.487 -1.943 -5.008) 5.574 11.563 ( -4.311 -3.386 -4.774) 7.269 12.112 ( -3.975 11.342 -0.285) 12.022 12.407 ( -6.774 -2.004 -4.655) 8.460 12.884 ( -0.192 -7.585 -11.820) 14.046 13.251 ( -2.372 -4.139 -7.065) 8.524 13.615 ( -7.206 8.236 17.092) 20.295 13.796 ( -4.413 2.307 23.689) 24.207 14.480 ( 2.314 -6.288 5.891) 8.922 14.610 ( -0.171 -7.408 1.384) 7.538 15.567 ( 3.306 21.510 3.136) 21.987 15.857 ( 6.696 7.040 1.364) 9.811 16.164 ( 2.888 2.209 3.145) 4.807 16.582 ( 7.801 3.804 1.902) 8.885 16.627 ( 8.454 5.591 -4.778) 11.205 17.942 ( -2.085 -10.751 -2.567) 11.248 18.308 ( -4.316 -0.143 -4.985) 6.595 18.436 ( -5.951 -1.036 -7.943) 9.979 21.480 ( 17.244 -10.835 9.817) 22.609 22.083 ( 5.470 -7.656 5.433) 10.865 23.481 ( -5.249 0.638 -5.858) 7.892 23.972 ( -3.437 -6.894 -3.589) 8.498 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 15.105 7.484 9.921) 19.560 1.433 ( 17.964 12.446 5.498) 22.535 2.096 ( -5.946 -7.943 -4.408) 10.857 2.292 ( 3.480 -1.749 2.711) 4.745 2.384 ( 7.459 2.286 1.583) 7.961 2.399 ( 2.082 -3.366 -2.093) 4.477 2.523 ( -1.031 3.414 0.382) 3.587 2.594 ( -3.253 1.205 1.886) 3.949 2.702 ( -1.173 7.730 -4.401) 8.972 2.781 ( -0.321 -3.769 -4.595) 5.952 2.989 ( -0.734 -5.592 0.911) 5.714 3.263 ( 1.381 0.982 -1.355) 2.170 3.352 ( -2.966 1.876 1.225) 3.718 3.465 ( 5.829 19.465 -1.738) 20.394 3.652 ( 10.735 9.915 -8.853) 17.085 3.903 ( 1.996 1.298 -4.115) 4.754 4.193 ( 16.537 1.523 4.225) 17.136 4.341 ( 14.168 5.866 15.147) 21.554 5.244 ( 9.241 -9.074 2.229) 13.142 5.579 ( -5.973 -8.232 3.494) 10.754 5.623 ( -5.684 8.633 -13.440) 16.955 5.677 ( -3.157 2.681 -1.267) 4.332 5.928 ( -4.250 -5.396 -6.091) 9.180 6.083 ( -7.528 1.851 -2.044) 8.018 6.193 ( -0.694 1.320 7.560) 7.705 6.376 ( -5.333 6.608 9.855) 13.009 6.656 ( 1.893 -2.241 1.415) 3.257 7.048 ( -5.468 -6.429 6.898) 10.900 7.308 ( 13.229 12.245 2.554) 18.206 7.934 ( 5.393 2.078 1.770) 6.044 8.283 ( 12.912 -2.042 -0.711) 13.092 8.446 ( -8.480 -6.789 -2.513) 11.150 9.215 ( -3.531 -2.355 3.695) 5.628 9.721 ( 9.788 -4.657 -15.300) 18.751 10.039 ( 3.339 -9.168 -6.652) 11.809 10.556 ( -2.975 -1.807 6.742) 7.587 10.698 ( 3.980 5.948 8.265) 10.933 11.079 ( -1.488 7.426 -4.651) 8.888 11.307 ( 0.029 2.153 -4.953) 5.401 11.545 ( 2.468 1.411 -6.248) 6.864 12.041 ( -3.533 10.113 1.010) 10.760 12.276 ( -4.593 -2.454 -7.091) 8.798 12.839 ( -5.719 -10.380 -9.620) 15.264 13.165 ( -7.019 -1.152 -11.665) 13.662 13.544 ( 1.980 11.230 18.910) 22.082 13.786 ( 1.632 3.726 17.987) 18.441 14.511 ( 0.981 -5.773 3.563) 6.855 14.598 ( -1.003 -6.856 2.175) 7.262 15.664 ( 6.121 20.308 1.079) 21.238 15.984 ( 4.199 10.855 -4.629) 12.526 16.267 ( 8.983 3.563 -4.830) 10.804 16.777 ( 10.581 -0.095 -12.780) 16.592 16.860 ( 16.583 1.129 14.001) 21.732 17.851 ( -7.802 -6.737 -9.489) 14.010 18.202 ( -6.123 -3.475 -0.609) 7.067 18.263 ( -11.451 -1.129 -11.103) 15.990 21.809 ( 16.141 -10.481 10.006) 21.691 22.249 ( 11.503 -7.808 5.963) 15.128 23.329 ( -10.035 0.705 -5.072) 11.266 23.862 ( -8.076 -7.299 -2.940) 11.276 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 10.766 -0.288 3.588) 11.352 1.782 ( 16.603 6.398 2.138) 17.921 1.938 ( -7.759 -4.584 -2.965) 9.487 2.234 ( -4.923 3.796 -1.308) 6.353 2.330 ( -3.303 -0.002 -0.963) 3.440 2.435 ( -0.857 -5.882 -0.100) 5.945 2.464 ( -3.272 0.820 -3.479) 4.846 2.518 ( -4.807 -0.462 -6.220) 7.875 2.727 ( -2.351 -6.684 -3.103) 7.735 2.908 ( 4.955 3.600 4.373) 7.525 2.959 ( -2.622 -11.148 1.913) 11.610 3.205 ( -6.963 -5.589 3.651) 9.647 3.461 ( 12.567 16.452 -0.328) 20.705 3.567 ( 6.062 26.074 0.692) 26.778 3.967 ( 18.975 3.602 -15.740) 24.915 4.020 ( 13.117 7.107 -7.227) 16.576 4.562 ( 19.423 2.366 1.714) 19.642 4.636 ( 14.310 5.023 10.277) 18.320 5.339 ( -6.440 -0.873 -12.446) 14.041 5.402 ( -5.462 -8.188 -3.429) 10.423 5.461 ( -9.522 -1.170 -6.732) 11.719 5.630 ( -3.811 0.438 0.392) 3.856 5.839 ( -6.211 -4.317 0.109) 7.565 5.913 ( -7.045 -3.834 -1.209) 8.111 6.213 ( 1.522 8.350 14.636) 16.918 6.314 ( -0.874 4.292 11.948) 12.726 6.707 ( 3.727 -3.758 2.318) 5.778 6.972 ( -3.136 -6.465 2.864) 7.735 7.562 ( 12.305 7.596 3.485) 14.875 8.051 ( 6.062 -1.372 2.880) 6.851 8.255 ( -9.443 -3.489 -1.210) 10.139 8.467 ( 3.072 -5.360 2.549) 6.683 9.191 ( 2.862 4.961 1.072) 5.827 9.696 ( -7.001 5.591 -5.624) 10.579 10.149 ( 4.810 -8.888 -12.466) 16.048 10.467 ( -5.972 -7.789 4.475) 10.787 10.797 ( 5.792 13.416 7.151) 16.269 11.064 ( -1.922 2.443 0.919) 3.241 11.438 ( 15.039 0.698 -1.762) 15.158 11.578 ( 0.762 5.601 -9.538) 11.087 11.930 ( -8.101 10.069 0.883) 12.953 12.306 ( 7.431 -7.035 -7.832) 12.886 12.632 ( -14.735 -8.034 -6.333) 17.938 12.996 ( -9.786 -3.100 -11.872) 15.694 13.652 ( 7.300 8.168 13.811) 17.629 13.828 ( 2.034 4.166 15.014) 15.714 14.523 ( 0.300 -5.362 2.459) 5.907 14.573 ( -1.476 -6.099 2.629) 6.804 15.787 ( 6.018 19.086 0.304) 20.014 16.009 ( -0.858 13.882 -2.917) 14.211 16.524 ( 16.398 2.479 -16.439) 23.351 17.010 ( 13.507 -1.334 -16.707) 21.525 17.237 ( 20.305 -1.856 15.558) 25.648 17.624 ( -15.080 -1.951 -17.351) 23.071 17.989 ( -15.752 -1.299 -15.107) 21.864 18.075 ( -7.481 -6.495 4.960) 11.080 22.128 ( 16.576 -6.813 7.937) 19.600 22.535 ( 17.523 -8.024 5.567) 20.061 23.093 ( -13.875 0.374 -3.280) 14.262 23.646 ( -13.937 -7.687 -1.451) 15.983 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 3.898 -5.440 -0.861) 6.748 1.811 ( -3.765 -3.573 -2.040) 5.577 2.082 ( 11.479 4.847 -2.582) 12.725 2.205 ( 3.791 5.423 1.444) 6.772 2.238 ( -5.658 5.665 -1.096) 8.081 2.363 ( -7.474 -3.656 -0.012) 8.320 2.425 ( -0.426 -0.975 -5.029) 5.140 2.447 ( -2.381 -1.071 -5.535) 6.120 2.727 ( 3.586 -11.647 0.645) 12.204 2.842 ( -6.911 -12.292 1.368) 14.168 2.984 ( 3.391 -3.685 5.327) 7.311 3.073 ( -5.807 -4.055 4.833) 8.574 3.604 ( 4.170 26.133 -2.528) 26.584 3.651 ( 0.187 23.854 -2.085) 23.946 4.375 ( 19.012 3.720 -17.359) 26.012 4.439 ( 27.165 4.374 -8.622) 28.834 4.694 ( -7.338 5.541 -7.655) 11.964 4.917 ( -1.854 4.927 -4.451) 6.894 5.101 ( -3.173 -3.858 -7.350) 8.887 5.262 ( 1.224 -2.674 -6.560) 7.189 5.393 ( -5.891 -2.635 -0.544) 6.476 5.488 ( -10.234 1.004 1.408) 10.379 5.749 ( 0.234 -5.983 6.417) 8.776 5.809 ( -4.398 -6.666 4.591) 9.212 6.260 ( 2.857 6.939 14.766) 16.563 6.303 ( -1.167 4.690 13.821) 14.642 6.801 ( 5.367 -5.271 1.574) 7.685 6.900 ( -4.453 -6.152 1.370) 7.717 7.792 ( 11.264 3.307 2.700) 12.046 8.006 ( -10.220 -1.223 1.325) 10.378 8.244 ( 7.963 -2.796 3.702) 9.216 8.408 ( -7.316 -6.001 5.013) 10.708 9.329 ( 9.743 8.059 -3.227) 13.049 9.526 ( -9.733 7.114 -4.039) 12.715 10.235 ( 4.716 -6.350 -5.882) 9.857 10.343 ( -6.171 -6.744 0.184) 9.143 10.909 ( 5.221 12.620 4.585) 14.406 11.000 ( -4.092 7.651 2.784) 9.112 11.614 ( 4.606 5.817 -6.478) 9.850 11.751 ( -7.760 7.628 -2.397) 11.142 11.834 ( 20.926 -3.048 -1.191) 21.180 12.254 ( -19.666 -7.050 -2.039) 20.990 12.541 ( 11.642 -5.681 -10.250) 16.519 12.782 ( -11.955 -5.452 -10.890) 17.066 13.783 ( 5.260 5.661 11.993) 14.267 13.844 ( -0.903 4.445 12.684) 13.470 14.528 ( 0.453 -5.257 2.204) 5.718 14.545 ( -1.216 -5.500 2.512) 6.167 15.892 ( 4.663 17.553 -0.379) 18.166 15.969 ( -3.065 15.845 -1.396) 16.199 16.885 ( 19.781 1.600 -21.468) 29.235 17.265 ( -11.765 -0.854 -21.106) 24.179 17.323 ( 9.066 -0.105 -18.614) 20.705 17.607 ( 13.971 -4.857 9.558) 17.611 17.660 ( -14.664 -1.172 -15.307) 21.230 17.893 ( -11.540 -6.720 8.633) 15.902 22.461 ( 17.133 -3.319 3.844) 17.869 22.791 ( -15.868 -1.071 -0.342) 15.908 22.921 ( 20.263 -7.898 3.759) 22.071 23.318 ( -19.095 -7.955 0.956) 20.708 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.000 19.055 11.939) 22.486 1.367 ( 0.000 22.943 10.229) 25.120 1.964 ( 0.000 -8.884 -0.206) 8.887 2.129 ( 0.000 8.199 8.043) 11.485 2.206 ( 0.000 -7.063 3.580) 7.919 2.276 ( 0.000 -14.742 -0.695) 14.759 2.502 ( 0.000 3.998 -5.045) 6.437 2.705 ( 0.000 -3.296 -8.687) 9.291 2.765 ( 0.000 10.871 1.086) 10.925 2.899 ( 0.000 7.986 3.759) 8.826 3.109 ( 0.000 1.522 -14.593) 14.673 3.316 ( 0.000 -9.018 -1.930) 9.223 3.548 ( 0.000 4.581 -14.063) 14.791 3.603 ( 0.000 1.435 6.584) 6.739 3.625 ( 0.000 11.285 6.808) 13.180 3.858 ( 0.000 11.063 3.078) 11.483 3.986 ( 0.000 -3.551 5.257) 6.344 4.297 ( 0.000 19.447 5.110) 20.107 4.692 ( 0.000 -10.781 10.098) 14.771 5.384 ( 0.000 -15.662 11.575) 19.475 5.687 ( 0.000 3.712 -10.815) 11.434 5.914 ( 0.000 -6.796 -15.696) 17.104 6.191 ( 0.000 5.493 10.213) 11.596 6.292 ( 0.000 4.978 -9.651) 10.859 6.451 ( 0.000 -0.723 -2.865) 2.955 6.455 ( 0.000 4.333 9.339) 10.295 6.599 ( 0.000 2.654 -4.069) 4.858 7.060 ( 0.000 -8.820 14.896) 17.311 7.659 ( 0.000 -1.177 -6.185) 6.296 7.675 ( 0.000 -6.237 -4.253) 7.549 7.966 ( 0.000 8.920 -0.266) 8.924 8.420 ( 0.000 -11.627 -1.776) 11.762 8.553 ( 0.000 10.590 6.809) 12.590 9.083 ( 0.000 -12.369 4.183) 13.057 10.200 ( 0.000 7.158 1.903) 7.407 10.632 ( 0.000 -10.845 -3.118) 11.285 10.779 ( 0.000 14.219 11.925) 18.558 11.200 ( 0.000 1.483 -1.875) 2.391 11.322 ( 0.000 0.742 -4.297) 4.361 11.508 ( 0.000 -5.633 -4.785) 7.390 12.399 ( 0.000 -0.522 -7.582) 7.600 12.463 ( 0.000 13.618 -5.534) 14.700 12.745 ( 0.000 -6.432 -12.033) 13.644 13.102 ( 0.000 -9.455 -5.294) 10.836 13.863 ( 0.000 11.947 5.072) 12.979 13.931 ( 0.000 5.283 20.905) 21.563 14.297 ( 0.000 -8.220 11.302) 13.975 14.406 ( 0.000 -11.361 1.409) 11.448 15.876 ( 0.000 4.371 6.624) 7.937 16.059 ( 0.000 -2.523 6.662) 7.124 16.158 ( 0.000 30.965 4.730) 31.324 16.622 ( 0.000 7.165 7.103) 10.089 16.683 ( 0.000 0.900 -1.744) 1.962 17.589 ( 0.000 -22.948 0.248) 22.949 18.385 ( 0.000 1.768 -6.470) 6.708 18.465 ( 0.000 -1.671 -6.573) 6.782 21.300 ( 0.000 7.744 5.094) 9.269 21.809 ( 0.000 -12.489 3.446) 12.956 23.564 ( 0.000 2.683 -5.577) 6.189 23.828 ( 0.000 -8.934 -4.332) 9.929 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 7.046 16.229 11.137) 20.906 1.498 ( 10.188 19.229 7.694) 23.081 1.955 ( -0.596 -8.974 -1.369) 9.098 2.176 ( -0.539 -8.177 7.472) 11.090 2.229 ( 6.310 -1.004 -0.018) 6.390 2.323 ( 3.469 -6.108 -0.883) 7.080 2.505 ( -0.129 -0.692 -4.856) 4.907 2.653 ( -3.478 0.237 -6.268) 7.172 2.805 ( 1.924 6.453 -1.664) 6.936 2.891 ( 0.609 11.460 4.516) 12.333 3.078 ( -3.049 2.369 -12.277) 12.870 3.257 ( -5.771 -6.590 -0.052) 8.760 3.542 ( 0.403 7.621 -2.337) 7.982 3.582 ( 0.646 10.193 -5.300) 11.507 3.759 ( 7.518 3.422 5.493) 9.920 3.796 ( 2.830 -2.649 3.305) 5.094 4.121 ( 9.469 8.498 3.467) 13.187 4.341 ( 4.636 18.343 7.094) 20.206 4.802 ( 9.557 -11.835 8.410) 17.382 5.380 ( -0.589 -15.554 9.976) 18.487 5.691 ( 0.201 2.974 -10.311) 10.734 5.880 ( -2.997 -6.026 -13.209) 14.825 6.133 ( -12.602 7.803 -11.219) 18.590 6.217 ( 1.752 6.592 11.454) 13.331 6.309 ( -9.642 0.329 -2.975) 10.095 6.522 ( 1.579 1.852 4.160) 4.819 6.592 ( -1.032 -0.165 2.227) 2.460 6.985 ( -7.456 -12.377 15.853) 21.450 7.492 ( 1.257 14.184 -2.709) 14.495 7.946 ( 12.572 -7.084 -1.704) 14.531 7.985 ( 1.425 8.238 1.055) 8.427 8.370 ( -3.086 -9.291 -1.436) 9.895 8.937 ( 29.552 -5.264 -4.132) 30.300 9.107 ( 2.622 -8.639 1.992) 9.245 10.152 ( -4.505 6.905 1.882) 8.457 10.558 ( -6.525 -9.585 -0.226) 11.597 10.835 ( 5.464 14.876 10.181) 18.836 11.237 ( -0.876 1.940 -4.953) 5.391 11.310 ( 1.514 -0.854 -3.873) 4.245 11.476 ( -1.214 -4.908 -1.510) 5.276 12.303 ( -6.920 4.007 -8.514) 11.680 12.468 ( -1.946 10.932 -4.052) 11.820 12.710 ( -3.303 -7.761 -12.500) 15.079 13.097 ( -1.265 -10.272 -6.444) 12.191 13.852 ( -1.767 12.736 8.603) 15.470 13.909 ( -0.227 8.297 17.707) 19.556 14.319 ( 1.779 -8.786 9.394) 12.984 14.409 ( 0.147 -11.199 1.948) 11.369 15.947 ( 7.002 6.770 1.012) 9.792 16.150 ( 7.724 -2.915 3.566) 8.993 16.205 ( 4.550 30.669 4.700) 31.359 16.675 ( 5.301 5.306 6.539) 9.950 16.720 ( 4.026 1.880 -1.090) 4.575 17.589 ( -0.220 -22.445 -0.220) 22.447 18.321 ( -6.152 1.391 -6.630) 9.151 18.404 ( -6.170 -1.852 -7.800) 10.116 21.407 ( 10.164 3.753 7.049) 12.926 21.860 ( 5.230 -12.566 4.213) 14.247 23.514 ( -5.025 2.858 -5.422) 7.925 23.790 ( -3.942 -9.229 -4.209) 10.882 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 7.798 10.758 10.142) 16.715 1.688 ( 9.357 11.542 3.534) 15.273 1.928 ( -2.669 -7.018 -2.114) 7.800 2.156 ( -0.678 -10.002 6.598) 12.002 2.284 ( 0.006 -5.434 -4.234) 6.888 2.412 ( 2.407 -1.785 -5.649) 6.394 2.470 ( -3.517 -6.505 -2.068) 7.679 2.581 ( -3.104 -0.934 -1.917) 3.766 2.787 ( -4.292 4.660 -6.641) 9.178 2.955 ( 1.023 7.567 -0.143) 7.637 3.003 ( -3.999 5.718 -2.029) 7.267 3.149 ( -2.927 -5.485 0.830) 6.272 3.552 ( 4.863 12.710 4.573) 14.357 3.705 ( 13.526 6.136 -7.969) 16.855 3.913 ( 10.197 3.805 -9.781) 14.633 4.024 ( 13.766 10.106 4.916) 17.771 4.324 ( 11.912 12.004 0.742) 16.927 4.490 ( 10.662 9.939 12.655) 19.303 5.004 ( 9.978 -12.679 6.802) 17.509 5.346 ( -3.362 -13.874 4.223) 14.887 5.682 ( -1.602 1.239 -7.488) 7.757 5.790 ( -9.234 -2.654 -10.799) 14.454 5.877 ( -9.204 6.734 -9.228) 14.670 6.081 ( -12.790 -1.762 -9.455) 16.003 6.284 ( 4.279 6.868 12.194) 14.635 6.493 ( -3.681 4.832 12.123) 13.560 6.590 ( 0.615 -4.041 2.378) 4.729 6.852 ( -4.979 -11.295 11.008) 16.539 7.612 ( 8.123 14.823 2.568) 17.097 8.014 ( 1.570 5.382 2.944) 6.332 8.157 ( 6.764 -9.725 -0.523) 11.857 8.305 ( -2.636 -6.283 1.814) 7.051 9.190 ( 6.543 1.162 -0.337) 6.654 9.497 ( 24.399 -12.129 -13.915) 30.595 10.042 ( -6.305 6.054 1.158) 8.818 10.415 ( -7.344 -8.896 3.518) 12.060 10.980 ( 8.892 16.517 7.307) 20.132 11.162 ( -3.847 2.883 -2.152) 5.267 11.317 ( -0.211 -2.217 -3.145) 3.853 11.574 ( 9.568 -2.045 -3.305) 10.327 12.165 ( -6.520 2.042 -9.132) 11.405 12.376 ( -7.047 12.865 -2.330) 14.852 12.612 ( -7.032 -10.315 -12.144) 17.417 13.023 ( -6.653 -11.103 -7.016) 14.723 13.831 ( 0.801 14.228 11.371) 18.231 13.933 ( 1.993 9.528 12.701) 16.003 14.351 ( 1.326 -9.013 6.544) 11.217 14.409 ( -0.118 -10.494 3.042) 10.927 16.125 ( 10.115 12.796 -7.041) 17.766 16.282 ( 5.013 17.262 1.468) 18.035 16.349 ( 9.941 9.927 -1.561) 14.136 16.799 ( 7.324 2.108 -5.986) 9.691 16.884 ( 12.767 1.107 10.220) 16.391 17.569 ( -2.288 -20.188 -2.247) 20.441 18.158 ( -10.171 -0.156 -7.014) 12.355 18.228 ( -11.561 -2.033 -10.845) 15.981 21.668 ( 15.920 -0.991 9.152) 18.390 22.022 ( 11.483 -12.472 5.592) 17.851 23.367 ( -9.985 3.167 -4.701) 11.482 23.667 ( -8.735 -9.920 -3.552) 13.687 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 3.617 5.934 6.880) 9.779 1.852 ( -4.460 -2.159 -0.591) 4.990 1.884 ( 10.336 2.600 1.381) 10.747 2.165 ( 1.347 -12.258 4.074) 12.988 2.285 ( 0.625 -3.162 -4.034) 5.163 2.365 ( -4.234 2.095 -2.210) 5.216 2.424 ( -1.537 -5.096 -6.096) 8.092 2.528 ( -3.859 -1.219 -2.031) 4.528 2.684 ( -4.349 3.140 -3.581) 6.449 2.850 ( -8.820 2.034 2.450) 9.377 2.920 ( -3.288 -2.703 -0.438) 4.279 3.074 ( -5.943 -6.012 2.884) 8.932 3.855 ( 20.574 16.839 -5.407) 27.131 4.042 ( 15.544 3.249 -16.961) 23.235 4.122 ( 14.773 20.770 -1.304) 25.522 4.250 ( 9.363 16.305 -4.809) 19.408 4.624 ( 18.120 3.518 0.830) 18.477 4.741 ( 13.116 4.002 12.080) 18.275 5.165 ( 4.013 -12.706 3.694) 13.827 5.248 ( -3.639 -7.788 -4.708) 9.802 5.501 ( -17.610 3.074 -15.086) 23.391 5.615 ( -5.279 -1.785 1.614) 5.802 5.761 ( -6.862 -1.922 -1.707) 7.327 5.835 ( -11.476 -3.373 -6.547) 13.636 6.365 ( 3.480 6.642 11.844) 14.018 6.423 ( -2.508 5.388 13.211) 14.487 6.609 ( 1.745 -5.059 4.749) 7.155 6.786 ( -2.426 -10.388 6.533) 12.509 7.765 ( 7.151 10.783 4.671) 13.756 8.045 ( 1.147 1.154 4.009) 4.327 8.157 ( -3.303 -5.470 0.646) 6.422 8.299 ( -0.618 -9.622 6.466) 11.609 9.358 ( 9.910 10.365 -4.710) 15.094 9.815 ( 3.766 0.358 -9.167) 9.917 9.947 ( 1.026 -4.461 -3.681) 5.873 10.281 ( -6.338 -9.425 3.734) 11.956 11.127 ( 2.184 9.448 1.351) 9.791 11.169 ( 7.592 14.308 3.504) 16.572 11.398 ( 9.525 -4.022 -1.097) 10.398 11.739 ( 5.219 6.240 -8.658) 11.880 12.096 ( 0.754 -9.461 -5.456) 10.947 12.203 ( -10.029 13.815 -1.734) 17.160 12.430 ( -10.825 -9.996 -10.449) 18.063 12.843 ( -11.188 -11.029 -6.756) 17.101 13.882 ( 3.761 12.348 9.302) 15.911 13.972 ( 1.669 8.940 10.920) 14.211 14.370 ( 0.607 -8.809 4.492) 9.907 14.403 ( -0.504 -9.408 3.851) 10.179 16.295 ( 6.263 21.972 -4.594) 23.305 16.361 ( 2.949 20.707 -0.189) 20.917 16.586 ( 14.651 3.205 -12.600) 19.588 16.987 ( 11.933 -0.196 -12.591) 17.349 17.174 ( 15.541 -4.088 10.765) 19.342 17.478 ( -7.560 -14.109 -7.718) 17.770 17.932 ( -12.763 -3.378 -6.638) 14.778 17.961 ( -14.904 -2.438 -12.252) 19.447 22.018 ( 19.388 -1.757 7.872) 20.998 22.311 ( 17.753 -11.912 5.631) 22.108 23.124 ( -14.659 3.032 -2.925) 15.252 23.441 ( -14.444 -10.581 -1.938) 18.010 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 2.343 2.769 3.034) 4.729 1.770 ( -3.639 1.115 0.876) 3.906 2.070 ( 7.957 -5.768 1.994) 10.028 2.171 ( -1.985 -13.511 3.564) 14.114 2.317 ( 2.528 0.558 -3.236) 4.144 2.331 ( 1.248 2.215 -4.721) 5.361 2.390 ( -1.943 -1.859 -5.830) 6.420 2.420 ( -5.752 0.530 -5.646) 8.077 2.640 ( -0.456 2.079 1.658) 2.698 2.689 ( -6.064 1.649 2.767) 6.866 2.896 ( 1.169 -5.237 3.184) 6.239 2.960 ( -4.972 -6.258 3.603) 8.768 4.146 ( 6.778 22.362 -7.899) 24.665 4.174 ( 2.437 21.257 -8.160) 22.900 4.468 ( 15.156 4.532 -15.999) 22.499 4.592 ( 25.665 11.251 -8.532) 29.293 4.770 ( -9.992 -1.230 -9.470) 13.822 5.010 ( 16.956 3.306 -0.590) 17.285 5.097 ( -22.644 5.186 -13.833) 27.037 5.194 ( 3.103 -3.743 -2.154) 5.318 5.314 ( 5.192 -5.220 4.361) 8.557 5.485 ( -8.837 -1.743 6.507) 11.112 5.591 ( -5.708 -7.968 5.351) 11.167 5.644 ( -8.276 -7.946 3.049) 11.871 6.404 ( 0.733 6.436 12.694) 14.251 6.411 ( 0.433 5.271 11.484) 12.643 6.664 ( 3.522 -6.926 4.695) 9.079 6.733 ( -3.212 -8.818 4.595) 10.450 7.893 ( 6.049 6.125 4.918) 9.914 8.004 ( -4.961 1.280 3.871) 6.421 8.159 ( 3.475 -4.786 4.694) 7.551 8.243 ( -4.334 -8.766 6.357) 11.663 9.551 ( 9.278 11.954 -4.995) 15.935 9.718 ( -7.784 10.228 -3.397) 13.294 10.056 ( 5.715 -10.165 -5.221) 12.777 10.164 ( -5.604 -9.647 0.112) 11.157 11.193 ( 4.585 11.833 0.123) 12.691 11.260 ( -0.232 17.472 2.011) 17.589 11.665 ( 15.876 -7.126 -3.785) 17.808 11.834 ( 7.978 9.060 -5.174) 13.134 11.956 ( -13.180 2.567 -5.265) 14.423 12.064 ( -11.939 -2.370 0.104) 12.173 12.365 ( 8.862 -10.596 -9.107) 16.546 12.601 ( -12.979 -11.357 -7.135) 18.664 13.953 ( 2.990 9.787 8.632) 13.388 13.987 ( -0.369 8.655 9.432) 12.807 14.379 ( 0.476 -8.501 3.729) 9.295 14.391 ( -0.676 -8.611 3.868) 9.464 16.375 ( 2.318 24.855 -1.428) 25.004 16.394 ( 0.364 22.856 -0.912) 22.877 16.910 ( 17.489 -0.332 -18.064) 25.146 17.207 ( -3.772 -5.676 -16.244) 17.615 17.314 ( 5.032 -1.361 -15.596) 16.444 17.460 ( 12.770 -8.430 6.669) 16.692 17.624 ( -16.691 -1.898 -15.767) 23.039 17.709 ( -11.706 -8.709 1.919) 14.716 22.412 ( 20.244 -0.054 4.137) 20.663 22.697 ( 20.077 -10.908 3.385) 23.098 22.799 ( -17.480 1.500 0.390) 17.548 23.105 ( -19.411 -11.000 0.694) 22.322 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 0.000 -11.698 3.983) 12.358 1.677 ( 0.000 11.698 3.983) 12.358 1.875 ( 0.000 -17.504 8.055) 19.268 1.875 ( 0.000 17.504 8.055) 19.268 2.122 ( 0.000 -0.570 -0.140) 0.587 2.122 ( 0.000 0.570 -0.140) 0.587 2.637 ( 0.000 -4.053 -7.484) 8.511 2.637 ( 0.000 4.053 -7.484) 8.511 3.012 ( 0.000 -9.770 -4.691) 10.838 3.012 ( 0.000 9.770 -4.691) 10.838 3.143 ( 0.000 -9.854 -0.495) 9.867 3.143 ( 0.000 9.854 -0.495) 9.867 3.580 ( 0.000 -1.521 -2.910) 3.284 3.580 ( 0.000 1.521 -2.910) 3.284 3.848 ( 0.000 -8.941 6.991) 11.350 3.848 ( 0.000 8.941 6.991) 11.350 4.196 ( 0.000 -17.959 3.408) 18.280 4.196 ( 0.000 17.959 3.408) 18.280 4.956 ( 0.000 -23.455 10.116) 25.544 4.956 ( 0.000 23.455 10.116) 25.544 5.782 ( 0.000 -5.334 -13.487) 14.504 5.782 ( 0.000 5.334 -13.487) 14.504 6.293 ( 0.000 -3.449 1.846) 3.912 6.293 ( 0.000 3.449 1.846) 3.912 6.482 ( 0.000 -1.868 -5.201) 5.526 6.482 ( 0.000 1.868 -5.201) 5.526 6.781 ( 0.000 -13.681 16.722) 21.606 6.781 ( 0.000 13.681 16.722) 21.606 7.637 ( 0.000 -0.557 -8.092) 8.111 7.637 ( 0.000 0.557 -8.092) 8.111 8.178 ( 0.000 -10.799 -0.699) 10.822 8.178 ( 0.000 10.799 -0.699) 10.822 8.809 ( 0.000 -12.945 5.388) 14.021 8.809 ( 0.000 12.945 5.388) 14.021 10.394 ( 0.000 -10.702 -0.830) 10.734 10.394 ( 0.000 10.702 -0.830) 10.734 11.074 ( 0.000 -11.659 7.624) 13.931 11.074 ( 0.000 11.659 7.624) 13.931 11.386 ( 0.000 -5.061 -2.972) 5.869 11.386 ( 0.000 5.061 -2.972) 5.869 12.492 ( 0.000 -7.373 -14.861) 16.590 12.492 ( 0.000 7.373 -14.861) 16.590 12.852 ( 0.000 -13.253 -3.148) 13.622 12.852 ( 0.000 13.253 -3.148) 13.622 14.101 ( 0.000 -9.532 14.909) 17.696 14.101 ( 0.000 9.532 14.909) 17.696 14.139 ( 0.000 -13.255 2.587) 13.505 14.139 ( 0.000 13.255 2.587) 13.505 15.973 ( 0.000 -4.522 6.860) 8.216 15.973 ( 0.000 4.522 6.860) 8.216 16.616 ( 0.000 -7.739 5.090) 9.263 16.616 ( 0.000 7.739 5.090) 9.263 17.004 ( 0.000 -29.554 2.172) 29.634 17.004 ( 0.000 29.554 2.172) 29.634 18.426 ( 0.000 -1.981 -6.511) 6.806 18.426 ( 0.000 1.981 -6.511) 6.806 21.530 ( 0.000 -12.871 2.515) 13.115 21.530 ( 0.000 12.871 2.515) 13.115 23.659 ( 0.000 -6.390 -4.987) 8.106 23.659 ( 0.000 6.390 -4.987) 8.106 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 2.796 -12.160 3.513) 12.963 1.708 ( 2.796 12.160 3.513) 12.963 1.913 ( 2.038 -15.730 8.259) 17.883 1.913 ( 2.038 15.730 8.259) 17.883 2.173 ( 4.818 -1.719 -1.778) 5.416 2.173 ( 4.818 1.719 -1.778) 5.416 2.592 ( -3.859 -4.316 -6.888) 8.998 2.592 ( -3.859 4.316 -6.888) 8.998 2.992 ( -2.164 -8.343 -5.711) 10.339 2.992 ( -2.164 8.343 -5.711) 10.339 3.143 ( -0.104 -6.979 -1.768) 7.200 3.143 ( -0.104 6.979 -1.768) 7.200 3.683 ( 5.938 -3.603 -3.374) 7.722 3.683 ( 5.938 3.603 -3.374) 7.722 3.754 ( -0.018 -2.995 8.337) 8.858 3.754 ( -0.018 2.995 8.337) 8.858 4.354 ( 11.678 -13.570 3.425) 18.228 4.354 ( 11.678 13.570 3.425) 18.228 4.967 ( 1.097 -21.932 9.454) 23.908 4.967 ( 1.097 21.932 9.454) 23.908 5.767 ( -1.461 -4.401 -12.001) 12.866 5.767 ( -1.461 4.401 -12.001) 12.866 6.235 ( -7.302 -2.967 -5.730) 9.745 6.235 ( -7.302 2.967 -5.730) 9.745 6.444 ( -1.604 -7.891 2.075) 8.316 6.444 ( -1.604 7.891 2.075) 8.316 6.719 ( -4.762 -10.668 14.602) 18.700 6.719 ( -4.762 10.668 14.602) 18.700 7.752 ( 9.024 -10.596 -3.610) 14.379 7.752 ( 9.024 10.596 -3.610) 14.379 8.176 ( -0.414 -9.218 1.030) 9.285 8.176 ( -0.414 9.218 1.030) 9.285 8.949 ( 13.603 -5.258 -0.066) 14.584 8.949 ( 13.603 5.258 -0.066) 14.584 10.338 ( -5.191 -10.138 0.577) 11.404 10.338 ( -5.191 10.138 0.577) 11.404 11.139 ( 5.846 -11.477 4.208) 13.550 11.139 ( 5.846 11.477 4.208) 13.550 11.346 ( -3.007 -5.471 -0.596) 6.271 11.346 ( -3.007 5.471 -0.596) 6.271 12.448 ( -4.376 -9.217 -15.001) 18.143 12.448 ( -4.376 9.217 -15.001) 18.143 12.828 ( -2.724 -14.072 -3.047) 14.654 12.828 ( -2.724 14.072 -3.047) 14.654 14.099 ( -0.001 -6.595 11.427) 13.194 14.099 ( -0.001 6.595 11.427) 13.194 14.154 ( 1.243 -8.933 5.344) 10.484 14.154 ( 1.243 8.933 5.344) 10.484 16.064 ( 8.649 -4.830 2.600) 10.242 16.064 ( 8.649 4.830 2.600) 10.242 16.671 ( 5.417 -6.674 5.165) 10.028 16.671 ( 5.417 6.674 5.165) 10.028 17.014 ( 0.976 -28.750 2.035) 28.838 17.014 ( 0.976 28.750 2.035) 28.838 18.360 ( -6.446 -2.129 -7.471) 10.094 18.360 ( -6.446 2.129 -7.471) 10.094 21.588 ( 5.979 -11.855 4.104) 13.897 21.588 ( 5.979 11.855 4.104) 13.897 23.615 ( -4.558 -6.675 -4.869) 9.436 23.615 ( -4.558 6.675 -4.869) 9.436 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 3.386 -8.702 2.813) 9.752 1.772 ( 3.386 8.702 2.813) 9.752 1.926 ( -0.273 -10.558 7.499) 12.953 1.926 ( -0.273 10.558 7.499) 12.953 2.255 ( 2.329 -4.427 -3.976) 6.390 2.255 ( 2.329 4.427 -3.976) 6.390 2.516 ( -3.280 -4.065 -3.891) 6.513 2.516 ( -3.280 4.065 -3.891) 6.513 2.920 ( -5.157 -6.626 -6.239) 10.460 2.920 ( -5.157 6.626 -6.239) 10.460 3.096 ( -5.666 -2.585 -0.646) 6.261 3.096 ( -5.666 2.585 -0.646) 6.261 3.748 ( 9.943 -3.485 -4.922) 11.629 3.748 ( 9.943 3.485 -4.922) 11.629 4.038 ( 20.234 -6.854 3.329) 21.621 4.038 ( 20.234 6.854 3.329) 21.621 4.573 ( 9.884 -10.120 3.512) 14.576 4.573 ( 9.884 10.120 3.512) 14.576 4.995 ( 1.692 -16.715 7.441) 18.375 4.995 ( 1.692 16.715 7.441) 18.375 5.720 ( -4.054 -2.552 -8.378) 9.650 5.720 ( -4.054 2.552 -8.378) 9.650 6.014 ( -13.305 -4.722 -11.244) 18.048 6.014 ( -13.305 4.722 -11.244) 18.048 6.459 ( 2.267 -8.122 6.236) 10.488 6.459 ( 2.267 8.122 6.236) 10.488 6.626 ( -4.323 -8.259 13.693) 16.564 6.626 ( -4.323 8.259 13.693) 16.564 7.909 ( 6.157 -12.854 1.005) 14.288 7.909 ( 6.157 12.854 1.005) 14.288 8.157 ( -1.510 -7.340 4.430) 8.705 8.157 ( -1.510 7.340 4.430) 8.705 9.284 ( 18.483 -7.487 -7.369) 21.260 9.284 ( 18.483 7.487 -7.369) 21.260 10.214 ( -6.993 -9.385 2.091) 11.889 10.214 ( -6.993 9.385 2.091) 11.889 11.217 ( 0.460 -3.429 -2.714) 4.397 11.217 ( 0.460 3.429 -2.714) 4.397 11.374 ( 8.279 -13.877 5.065) 16.934 11.374 ( 8.279 13.877 5.065) 16.934 12.326 ( -7.870 -11.327 -14.791) 20.223 12.326 ( -7.870 11.327 -14.791) 20.223 12.734 ( -6.970 -15.026 -2.636) 16.772 12.734 ( -6.970 15.026 -2.636) 16.772 14.108 ( 0.959 -7.761 7.632) 10.927 14.108 ( 0.959 7.761 7.632) 10.927 14.180 ( 1.242 -6.943 7.304) 10.154 14.180 ( 1.242 6.943 7.304) 10.154 16.280 ( 12.679 -4.450 -5.583) 14.551 16.280 ( 12.679 4.450 -5.583) 14.551 16.813 ( 8.331 -5.250 3.897) 10.591 16.813 ( 8.331 5.250 3.897) 10.591 17.040 ( 1.685 -24.517 1.627) 24.629 17.040 ( 1.685 24.517 1.627) 24.629 18.183 ( -11.433 -2.015 -9.912) 15.265 18.183 ( -11.433 2.015 -9.912) 15.265 21.771 ( 12.790 -9.656 6.553) 17.314 21.771 ( 12.790 9.656 6.553) 17.314 23.477 ( -9.527 -7.308 -4.203) 12.721 23.477 ( -9.527 7.308 -4.203) 12.721 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 2.386 -4.606 3.170) 6.079 1.830 ( 2.386 4.606 3.170) 6.079 1.915 ( -0.756 -5.962 5.405) 8.083 1.915 ( -0.756 5.962 5.405) 8.083 2.276 ( 0.869 -3.321 -5.867) 6.797 2.276 ( 0.869 3.321 -5.867) 6.797 2.469 ( -1.970 -3.610 -1.377) 4.337 2.469 ( -1.970 3.610 -1.377) 4.337 2.805 ( -5.603 -6.510 -4.025) 9.485 2.805 ( -5.603 6.510 -4.025) 9.485 2.954 ( -7.616 -5.446 2.618) 9.722 2.954 ( -7.616 5.446 2.618) 9.722 4.049 ( 18.352 -3.024 -16.235) 24.688 4.049 ( 18.352 3.024 -16.235) 24.688 4.462 ( 20.760 -5.451 1.161) 21.495 4.462 ( 20.760 5.451 1.161) 21.495 4.724 ( 5.512 -7.038 2.419) 9.261 4.724 ( 5.512 7.038 2.419) 9.261 5.045 ( 4.166 -7.431 4.777) 9.767 5.045 ( 4.166 7.431 4.777) 9.767 5.562 ( -12.249 -2.768 -6.239) 14.023 5.562 ( -12.249 2.768 -6.239) 14.023 5.772 ( -11.171 -2.346 -6.320) 13.048 5.772 ( -11.171 2.346 -6.320) 13.048 6.499 ( 1.362 -5.244 7.168) 8.985 6.499 ( 1.362 5.244 7.168) 8.985 6.568 ( -1.284 -8.924 11.980) 14.993 6.568 ( -1.284 8.924 11.980) 14.993 7.994 ( 2.857 -9.678 3.007) 10.529 7.994 ( 2.857 9.678 3.007) 10.529 8.120 ( -2.129 -5.492 6.628) 8.868 8.120 ( -2.129 5.492 6.628) 8.868 9.608 ( 13.496 -12.472 -8.757) 20.356 9.608 ( 13.496 12.472 -8.757) 20.356 10.076 ( -6.864 -9.427 1.543) 11.762 10.076 ( -6.864 9.427 1.543) 11.762 11.264 ( 5.862 -6.234 -1.104) 8.628 11.264 ( 5.862 6.234 -1.104) 8.628 11.579 ( 10.322 -17.553 2.643) 20.534 11.579 ( 10.322 17.553 2.643) 20.534 12.154 ( -8.516 -11.287 -13.597) 19.616 12.154 ( -8.516 11.287 -13.597) 19.616 12.556 ( -10.933 -14.980 -2.527) 18.717 12.556 ( -10.933 14.980 -2.527) 18.717 14.136 ( 1.755 -7.930 5.710) 9.928 14.136 ( 1.755 7.930 5.710) 9.928 14.197 ( 0.429 -6.580 7.314) 9.847 14.197 ( 0.429 6.580 7.314) 9.847 16.541 ( 13.362 -4.999 -10.174) 17.523 16.541 ( 13.362 4.999 -10.174) 17.523 16.944 ( 3.001 -17.310 -0.016) 17.568 16.944 ( 3.001 17.310 -0.016) 17.568 17.109 ( 6.899 -5.238 0.205) 8.664 17.109 ( 6.899 5.238 0.205) 8.664 17.920 ( -15.109 -1.355 -12.303) 19.531 17.920 ( -15.109 1.355 -12.303) 19.531 22.086 ( 18.902 -7.850 6.589) 21.502 22.086 ( 18.902 7.850 6.589) 21.502 23.238 ( -14.892 -7.743 -2.490) 16.968 23.238 ( -14.892 7.743 -2.490) 16.968 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 1.510 -3.678 3.677) 5.415 1.866 ( 1.510 3.678 3.677) 5.415 1.895 ( -1.346 -2.005 3.932) 4.615 1.895 ( -1.346 2.005 3.932) 4.615 2.320 ( 3.830 -0.896 -5.917) 7.105 2.320 ( 3.830 0.896 -5.917) 7.105 2.409 ( -4.397 -1.326 -3.762) 5.936 2.409 ( -4.397 1.326 -3.762) 5.936 2.750 ( 0.750 -5.645 0.925) 5.770 2.750 ( 0.750 5.645 0.925) 5.770 2.820 ( -5.662 -5.689 3.088) 8.600 2.820 ( -5.662 5.689 3.088) 8.600 4.400 ( 16.053 -1.892 -18.470) 24.544 4.400 ( 16.053 1.892 -18.470) 24.544 4.626 ( -5.390 -10.583 -10.561) 15.893 4.626 ( -5.390 10.583 -10.561) 15.893 4.931 ( 15.693 -16.252 -1.407) 22.636 4.931 ( 15.693 16.252 -1.407) 22.636 5.151 ( 0.546 -3.658 -5.265) 6.434 5.151 ( 0.546 3.658 -5.265) 6.434 5.335 ( -3.318 -9.629 6.695) 12.188 5.335 ( -3.318 9.629 6.695) 12.188 5.531 ( -13.798 -2.274 4.391) 14.658 5.531 ( -13.798 2.274 4.391) 14.658 6.525 ( 1.609 -5.748 8.467) 10.359 6.525 ( 1.609 5.748 8.467) 10.359 6.553 ( -0.981 -7.543 8.987) 11.774 6.553 ( -0.981 7.543 8.987) 11.774 8.037 ( 1.926 -4.626 4.865) 6.984 8.037 ( 1.926 4.626 4.865) 6.984 8.077 ( -2.157 -2.974 6.502) 7.468 8.077 ( -2.157 2.974 6.502) 7.468 9.811 ( 7.885 -11.897 -5.512) 15.300 9.811 ( 7.885 11.897 -5.512) 15.300 9.946 ( -6.431 -10.368 -1.288) 12.269 9.946 ( -6.431 10.368 -1.288) 12.269 11.447 ( 11.770 -11.614 -1.797) 16.633 11.447 ( 11.770 11.614 -1.797) 16.633 11.652 ( -5.809 -17.871 -0.676) 18.803 11.652 ( -5.809 17.871 -0.676) 18.803 12.105 ( 6.342 -12.857 -8.318) 16.575 12.105 ( 6.342 12.857 -8.318) 16.575 12.318 ( -12.716 -14.418 -3.710) 19.579 12.318 ( -12.716 14.418 -3.710) 19.579 14.171 ( 1.631 -7.051 5.543) 9.116 14.171 ( 1.631 7.051 5.543) 9.116 14.195 ( -0.721 -6.514 6.390) 9.153 14.195 ( -0.721 6.514 6.390) 9.153 16.779 ( 10.214 -12.115 -8.087) 17.790 16.779 ( 10.214 12.115 -8.087) 17.790 16.923 ( -4.363 -20.581 -3.271) 21.291 16.923 ( -4.363 20.581 -3.271) 21.291 17.313 ( 13.122 -3.447 -6.270) 14.946 17.313 ( 13.122 3.447 -6.270) 14.946 17.606 ( -16.161 -1.208 -11.857) 20.080 17.606 ( -16.161 1.208 -11.857) 20.080 22.489 ( 21.391 -7.324 3.947) 22.952 22.489 ( 21.391 7.324 3.947) 22.952 22.897 ( -19.520 -7.622 0.412) 20.959 22.897 ( -19.520 7.622 0.412) 20.959 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 0.000 23.616) 23.616 1.199 ( 0.000 0.000 24.693) 24.693 2.000 ( 0.000 0.000 39.040) 39.040 2.153 ( 0.000 0.000 -5.575) 5.575 2.423 ( 0.000 0.000 2.178) 2.178 2.429 ( 0.000 0.000 -7.140) 7.140 2.486 ( 0.000 0.000 -0.663) 0.663 2.608 ( 0.000 0.000 -15.945) 15.945 2.658 ( 0.000 0.000 -10.040) 10.040 2.763 ( 0.000 0.000 -2.946) 2.946 2.973 ( 0.000 0.000 2.860) 2.860 3.039 ( 0.000 0.000 -4.241) 4.241 3.173 ( 0.000 0.000 -0.332) 0.332 3.467 ( 0.000 0.000 18.140) 18.140 3.606 ( 0.000 0.000 -1.915) 1.915 3.909 ( 0.000 0.000 2.910) 2.910 4.094 ( 0.000 0.000 18.300) 18.300 4.314 ( 0.000 0.000 11.384) 11.384 5.187 ( 0.000 0.000 7.427) 7.427 5.412 ( 0.000 0.000 -10.439) 10.439 5.456 ( 0.000 0.000 2.142) 2.142 5.672 ( 0.000 0.000 -18.349) 18.349 6.013 ( 0.000 0.000 -6.491) 6.491 6.317 ( 0.000 0.000 -16.604) 16.604 6.427 ( 0.000 0.000 8.110) 8.110 6.502 ( 0.000 0.000 -8.059) 8.059 6.567 ( 0.000 0.000 21.572) 21.572 6.932 ( 0.000 0.000 6.670) 6.670 7.563 ( 0.000 0.000 -6.820) 6.820 7.751 ( 0.000 0.000 -0.570) 0.570 8.106 ( 0.000 0.000 -7.162) 7.162 8.529 ( 0.000 0.000 13.753) 13.753 8.621 ( 0.000 0.000 -8.940) 8.940 9.810 ( 0.000 0.000 9.263) 9.263 10.115 ( 0.000 0.000 -1.366) 1.366 10.505 ( 0.000 0.000 3.549) 3.549 10.788 ( 0.000 0.000 -6.969) 6.969 10.788 ( 0.000 0.000 22.754) 22.754 11.228 ( 0.000 0.000 -8.980) 8.980 11.463 ( 0.000 0.000 -9.475) 9.475 11.975 ( 0.000 0.000 -3.061) 3.061 12.416 ( 0.000 0.000 -5.383) 5.383 12.609 ( 0.000 0.000 -15.686) 15.686 13.169 ( 0.000 0.000 -12.148) 12.148 13.945 ( 0.000 0.000 12.469) 12.469 14.480 ( 0.000 0.000 9.238) 9.238 14.656 ( 0.000 0.000 6.368) 6.368 14.707 ( 0.000 0.000 0.689) 0.689 15.408 ( 0.000 0.000 7.090) 7.090 15.757 ( 0.000 0.000 3.341) 3.341 16.186 ( 0.000 0.000 9.370) 9.370 16.376 ( 0.000 0.000 14.401) 14.401 16.745 ( 0.000 0.000 16.170) 16.170 18.062 ( 0.000 0.000 -2.603) 2.603 18.145 ( 0.000 0.000 -12.814) 12.814 18.305 ( 0.000 0.000 -12.776) 12.776 21.611 ( 0.000 0.000 12.314) 12.314 22.302 ( 0.000 0.000 12.474) 12.474 23.340 ( 0.000 0.000 -12.045) 12.045 23.966 ( 0.000 0.000 -7.993) 7.993 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 9.742 0.000 19.098) 21.440 1.297 ( 8.733 0.000 20.957) 22.704 2.143 ( -1.781 0.000 -7.532) 7.740 2.188 ( 17.422 0.000 28.275) 33.211 2.423 ( -0.955 0.000 -7.832) 7.890 2.424 ( -0.181 0.000 1.326) 1.338 2.458 ( -3.041 0.000 -4.711) 5.607 2.626 ( -3.716 0.000 -5.355) 6.518 2.634 ( 3.549 0.000 -7.104) 7.941 2.725 ( -3.641 0.000 -0.738) 3.715 3.036 ( 5.246 0.000 0.820) 5.310 3.048 ( 1.556 0.000 -5.152) 5.382 3.145 ( -2.426 0.000 0.252) 2.439 3.387 ( -3.947 0.000 13.353) 13.924 3.560 ( -4.549 0.000 -1.481) 4.784 3.889 ( -1.876 0.000 1.491) 2.396 4.245 ( 12.645 0.000 17.858) 21.882 4.336 ( 2.088 0.000 11.432) 11.621 5.260 ( 6.627 0.000 3.257) 7.384 5.297 ( -6.979 0.000 -10.488) 12.598 5.569 ( 5.202 0.000 -1.655) 5.459 5.698 ( 1.883 0.000 -12.227) 12.371 5.910 ( -8.611 0.000 -11.542) 14.400 6.247 ( -8.638 0.000 0.248) 8.641 6.339 ( 0.109 0.000 -11.364) 11.365 6.482 ( 2.097 0.000 19.545) 19.657 6.824 ( -8.001 0.000 9.114) 12.127 6.877 ( 18.401 0.000 4.250) 18.885 7.410 ( -11.688 0.000 -0.674) 11.708 7.805 ( 4.988 0.000 -0.110) 4.989 8.123 ( 5.916 0.000 4.709) 7.561 8.570 ( -5.127 0.000 -8.396) 9.838 8.815 ( 19.748 0.000 -10.316) 22.281 9.827 ( 0.300 0.000 11.131) 11.135 10.011 ( -8.950 0.000 -6.015) 10.784 10.606 ( 10.057 0.000 3.016) 10.500 10.799 ( 1.134 0.000 22.051) 22.081 10.807 ( 0.702 0.000 -5.709) 5.752 11.218 ( -1.049 0.000 -7.909) 7.979 11.453 ( -0.984 0.000 -7.647) 7.710 11.960 ( -1.086 0.000 -2.177) 2.432 12.279 ( -10.111 0.000 -6.889) 12.235 12.688 ( 4.512 0.000 -15.182) 15.838 13.110 ( -6.012 0.000 -11.160) 12.677 13.900 ( -4.523 0.000 13.972) 14.686 14.292 ( -11.615 0.000 19.266) 22.496 14.655 ( -0.290 0.000 5.144) 5.152 14.719 ( 0.457 0.000 0.818) 0.937 15.422 ( 1.576 0.000 6.152) 6.351 15.747 ( -0.706 0.000 0.674) 0.976 16.162 ( -1.600 0.000 5.323) 5.558 16.433 ( 4.416 0.000 4.399) 6.233 16.889 ( 13.243 0.000 18.088) 22.418 17.890 ( -12.951 0.000 -12.187) 17.784 18.210 ( -9.446 0.000 -14.869) 17.616 18.228 ( 3.883 0.000 -4.496) 5.940 21.813 ( 16.493 0.000 8.927) 18.754 22.357 ( 5.636 0.000 12.486) 13.699 23.295 ( -4.463 0.000 -11.418) 12.260 23.941 ( -2.624 0.000 -7.566) 8.008 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 13.250 0.000 9.341) 16.212 1.502 ( 11.619 0.000 13.406) 17.740 2.050 ( -7.932 0.000 -8.703) 11.776 2.356 ( -7.280 0.000 -7.605) 10.528 2.373 ( -4.322 0.000 -8.310) 9.366 2.410 ( -1.927 0.000 1.739) 2.595 2.473 ( 2.558 0.000 -3.985) 4.735 2.547 ( -1.569 0.000 3.684) 4.004 2.688 ( 4.257 0.000 4.869) 6.467 2.818 ( 16.540 0.000 11.956) 20.409 3.075 ( -2.075 0.000 -0.355) 2.105 3.106 ( 4.564 0.000 -4.324) 6.287 3.154 ( 3.813 0.000 -3.493) 5.171 3.416 ( 6.861 0.000 1.798) 7.093 3.443 ( -6.527 0.000 -0.187) 6.529 3.837 ( -3.260 0.000 -1.967) 3.807 4.416 ( 7.222 0.000 10.202) 12.500 4.516 ( 13.470 0.000 15.714) 20.697 5.127 ( -10.371 0.000 -18.321) 21.052 5.402 ( 6.296 0.000 -3.196) 7.061 5.600 ( -13.483 0.000 -10.780) 17.263 5.603 ( -1.447 0.000 -3.802) 4.068 5.838 ( 2.921 0.000 -7.823) 8.350 6.211 ( 4.594 0.000 8.728) 9.863 6.268 ( -6.620 0.000 1.124) 6.715 6.539 ( 3.346 0.000 19.662) 19.945 6.735 ( -0.506 0.000 4.683) 4.710 7.207 ( -8.443 0.000 1.995) 8.675 7.230 ( 17.016 0.000 3.216) 17.317 7.932 ( 7.862 0.000 0.472) 7.876 8.314 ( 11.953 0.000 3.368) 12.418 8.425 ( -9.270 0.000 -6.988) 11.609 9.153 ( 13.624 0.000 -13.018) 18.844 9.691 ( -13.609 0.000 7.599) 15.586 9.912 ( -0.414 0.000 -11.015) 11.022 10.767 ( -5.131 0.000 -2.268) 5.610 10.822 ( 3.324 0.000 15.311) 15.668 10.893 ( 15.875 0.000 6.709) 17.235 11.195 ( -0.566 0.000 -5.274) 5.305 11.428 ( -1.565 0.000 -4.965) 5.205 11.947 ( -1.440 0.000 0.973) 1.738 12.101 ( -5.381 0.000 -10.049) 11.399 12.737 ( 0.159 0.000 -16.176) 16.177 12.933 ( -11.896 0.000 -8.750) 14.768 13.828 ( -0.693 0.000 16.682) 16.696 14.161 ( -2.756 0.000 18.789) 18.990 14.645 ( -0.693 0.000 3.837) 3.899 14.719 ( -0.487 0.000 2.132) 2.187 15.476 ( 3.918 0.000 2.609) 4.708 15.740 ( 0.056 0.000 -4.247) 4.248 16.151 ( 0.878 0.000 -0.761) 1.162 16.525 ( 5.180 0.000 -7.518) 9.130 17.209 ( 18.176 0.000 17.622) 25.316 17.583 ( -17.945 0.000 -18.763) 25.963 17.948 ( -16.707 0.000 -19.772) 25.885 18.272 ( 0.490 0.000 -0.456) 0.670 22.124 ( 13.853 0.000 7.403) 15.707 22.522 ( 11.115 0.000 11.914) 16.293 23.169 ( -8.179 0.000 -9.670) 12.665 23.855 ( -6.305 0.000 -6.151) 8.809 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 7.516 0.000 -3.388) 8.245 1.741 ( 12.353 0.000 6.702) 14.055 1.861 ( -9.866 0.000 -7.638) 12.477 2.220 ( -3.106 0.000 1.539) 3.466 2.304 ( -2.333 0.000 -8.397) 8.716 2.334 ( -6.404 0.000 2.878) 7.021 2.403 ( -4.535 0.000 -5.607) 7.212 2.540 ( -1.480 0.000 2.378) 2.801 2.828 ( 8.257 0.000 -3.619) 9.015 3.047 ( 0.216 0.000 -0.840) 0.867 3.056 ( 4.904 0.000 4.550) 6.689 3.204 ( 0.613 0.000 -3.831) 3.880 3.217 ( -0.317 0.000 5.199) 5.208 3.377 ( 1.337 0.000 2.589) 2.914 3.622 ( 13.526 0.000 -10.758) 17.282 3.840 ( 8.981 0.000 -6.289) 10.964 4.619 ( -8.806 0.000 -5.378) 10.318 4.639 ( 14.499 0.000 5.867) 15.641 5.024 ( 5.867 0.000 -7.736) 9.709 5.236 ( -19.272 0.000 -14.849) 24.329 5.502 ( -0.404 0.000 -6.332) 6.345 5.546 ( -4.150 0.000 -2.742) 4.974 5.904 ( 3.004 0.000 2.934) 4.199 6.134 ( -6.131 0.000 7.396) 9.607 6.358 ( 8.748 0.000 14.237) 16.710 6.597 ( 1.998 0.000 19.610) 19.711 6.772 ( 3.657 0.000 1.106) 3.820 7.073 ( -5.595 0.000 0.623) 5.630 7.533 ( 13.711 0.000 2.126) 13.875 8.116 ( 10.943 0.000 1.801) 11.090 8.220 ( -11.237 0.000 -5.003) 12.300 8.538 ( 9.132 0.000 1.703) 9.289 9.281 ( -3.087 0.000 7.386) 8.005 9.450 ( -7.333 0.000 -9.904) 12.323 9.951 ( 5.377 0.000 -13.290) 14.337 10.613 ( -10.195 0.000 -0.527) 10.209 10.878 ( 3.144 0.000 15.080) 15.404 11.079 ( -0.838 0.000 2.944) 3.061 11.371 ( 20.899 0.000 -1.745) 20.971 11.407 ( 0.367 0.000 -3.407) 3.427 11.819 ( -9.436 0.000 -0.474) 9.448 12.163 ( 8.843 0.000 -9.888) 13.266 12.647 ( -17.133 0.000 -6.115) 18.192 12.691 ( -4.683 0.000 -15.870) 16.546 13.886 ( 5.673 0.000 14.611) 15.674 14.133 ( -0.976 0.000 15.866) 15.896 14.632 ( -0.485 0.000 2.861) 2.902 14.698 ( -1.612 0.000 3.035) 3.436 15.571 ( 5.417 0.000 -1.225) 5.554 15.744 ( 0.048 0.000 -6.346) 6.346 16.217 ( 6.500 0.000 -8.824) 10.960 16.655 ( 8.612 0.000 -16.455) 18.573 17.189 ( -20.912 0.000 -23.852) 31.721 17.577 ( 17.784 0.000 14.244) 22.785 17.581 ( -19.875 0.000 -24.420) 31.486 18.242 ( -3.694 0.000 2.516) 4.469 22.359 ( 10.684 0.000 5.577) 12.052 22.786 ( 15.396 0.000 9.651) 18.171 22.984 ( -10.408 0.000 -6.921) 12.499 23.687 ( -10.942 0.000 -3.436) 11.469 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.391 0.000 -11.015) 11.022 1.715 ( -4.286 0.000 -9.339) 10.276 1.974 ( 11.097 0.000 2.867) 11.461 2.173 ( -9.278 0.000 1.127) 9.346 2.284 ( 7.989 0.000 6.172) 10.096 2.291 ( 0.816 0.000 -6.249) 6.302 2.331 ( -3.027 0.000 -4.816) 5.688 2.450 ( -7.418 0.000 3.795) 8.332 2.993 ( 7.860 0.000 -2.695) 8.309 3.095 ( 4.088 0.000 -1.620) 4.397 3.106 ( -2.069 0.000 -3.553) 4.111 3.163 ( 1.744 0.000 8.922) 9.091 3.175 ( -3.329 0.000 -2.459) 4.139 3.293 ( -8.307 0.000 3.623) 9.063 3.934 ( 17.867 0.000 -19.136) 26.180 4.226 ( 25.069 0.000 -10.369) 27.129 4.303 ( -19.066 0.000 -20.281) 27.836 4.698 ( -19.456 0.000 -10.815) 22.260 5.078 ( 13.376 0.000 -2.210) 13.557 5.235 ( 11.647 0.000 0.827) 11.677 5.374 ( -12.538 0.000 -3.996) 13.159 5.430 ( -7.901 0.000 -0.733) 7.935 5.965 ( 3.482 0.000 7.577) 8.339 6.038 ( -3.973 0.000 8.096) 9.018 6.514 ( 6.556 0.000 17.383) 18.579 6.600 ( -2.006 0.000 19.102) 19.207 6.864 ( 5.379 0.000 -0.133) 5.381 6.970 ( -5.245 0.000 -0.443) 5.264 7.776 ( 11.482 0.000 0.126) 11.482 7.997 ( -11.262 0.000 -2.523) 11.541 8.357 ( 13.095 0.000 4.061) 13.710 8.577 ( -6.614 0.000 4.781) 8.161 9.217 ( 2.195 0.000 0.479) 2.246 9.333 ( -7.017 0.000 -5.974) 9.216 10.130 ( 11.887 0.000 -10.340) 15.755 10.381 ( -12.940 0.000 -4.058) 13.561 10.947 ( 3.803 0.000 11.206) 11.834 11.022 ( -3.731 0.000 6.692) 7.662 11.470 ( 6.119 0.000 -1.787) 6.375 11.629 ( -9.427 0.000 -1.101) 9.492 11.824 ( 23.546 0.000 -2.353) 23.663 12.268 ( -21.236 0.000 -3.980) 21.606 12.364 ( 10.701 0.000 -11.512) 15.717 12.558 ( -8.636 0.000 -13.979) 16.431 14.009 ( 5.967 0.000 13.280) 14.559 14.098 ( -2.972 0.000 13.977) 14.290 14.633 ( 0.766 0.000 2.632) 2.741 14.661 ( -1.932 0.000 3.018) 3.584 15.669 ( 4.172 0.000 -2.859) 5.058 15.728 ( -1.841 0.000 -4.766) 5.109 16.425 ( 14.740 0.000 -18.967) 24.021 16.777 ( -20.273 0.000 -24.509) 31.807 16.875 ( 13.912 0.000 -22.998) 26.879 17.197 ( -18.523 0.000 -25.902) 31.843 17.895 ( 14.099 0.000 9.611) 17.063 18.121 ( -8.811 0.000 5.638) 10.460 22.563 ( 10.375 0.000 1.520) 10.485 22.772 ( -10.892 0.000 -3.094) 11.322 23.109 ( 16.938 0.000 5.517) 17.814 23.428 ( -15.114 0.000 0.676) 15.130 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 13.025 17.283) 21.642 1.322 ( 0.000 10.817 20.578) 23.248 2.079 ( 0.000 -5.787 -3.513) 6.770 2.168 ( 0.000 11.842 26.275) 28.820 2.370 ( 0.000 -2.785 -5.395) 6.072 2.388 ( 0.000 -4.176 0.869) 4.266 2.511 ( 0.000 -0.375 -2.303) 2.334 2.556 ( 0.000 -2.412 -13.088) 13.308 2.689 ( 0.000 2.476 -13.257) 13.487 2.717 ( 0.000 -2.761 0.978) 2.929 2.932 ( 0.000 -5.220 0.658) 5.261 3.109 ( 0.000 11.483 -0.910) 11.519 3.340 ( 0.000 6.011 -2.841) 6.649 3.608 ( 0.000 10.583 15.327) 18.626 3.619 ( 0.000 6.703 2.577) 7.181 3.859 ( 0.000 -1.295 5.060) 5.223 4.108 ( 0.000 1.015 14.997) 15.031 4.320 ( 0.000 1.367 12.773) 12.846 5.102 ( 0.000 -7.634 7.591) 10.766 5.434 ( 0.000 1.700 -9.959) 10.103 5.634 ( 0.000 -2.699 -17.587) 17.793 5.672 ( 0.000 12.317 -0.109) 12.317 5.935 ( 0.000 -5.235 -8.603) 10.070 6.306 ( 0.000 -1.063 -14.407) 14.446 6.410 ( 0.000 -1.282 6.848) 6.967 6.483 ( 0.000 -1.696 -2.843) 3.310 6.633 ( 0.000 6.283 18.737) 19.763 7.021 ( 0.000 7.097 -0.491) 7.114 7.547 ( 0.000 -1.760 -7.727) 7.924 7.805 ( 0.000 4.919 -0.438) 4.939 7.966 ( 0.000 -12.575 -3.356) 13.015 8.520 ( 0.000 -8.024 -8.453) 11.655 8.598 ( 0.000 6.296 14.261) 15.589 9.605 ( 0.000 -13.655 14.576) 19.973 10.138 ( 0.000 2.307 0.419) 2.345 10.712 ( 0.000 -5.783 -5.220) 7.791 10.788 ( 0.000 19.126 -4.697) 19.694 10.884 ( 0.000 7.378 19.755) 21.088 11.210 ( 0.000 -0.680 -6.889) 6.922 11.424 ( 0.000 -3.375 -9.255) 9.851 12.095 ( 0.000 9.628 -5.130) 10.909 12.413 ( 0.000 -1.357 -3.698) 3.939 12.568 ( 0.000 -3.334 -14.353) 14.735 13.115 ( 0.000 -5.232 -10.550) 11.776 13.920 ( 0.000 -0.265 12.330) 12.333 14.370 ( 0.000 -5.464 15.730) 16.652 14.616 ( 0.000 -4.070 5.680) 6.988 14.633 ( 0.000 -5.993 2.610) 6.537 15.654 ( 0.000 21.718 6.204) 22.587 15.933 ( 0.000 9.207 6.815) 11.455 16.343 ( 0.000 14.237 -0.729) 14.255 16.352 ( 0.000 -2.175 14.443) 14.606 16.766 ( 0.000 1.851 15.018) 15.131 17.943 ( 0.000 -11.001 -1.577) 11.113 18.157 ( 0.000 1.063 -12.778) 12.822 18.294 ( 0.000 -0.934 -12.789) 12.823 21.522 ( 0.000 -5.563 14.566) 15.592 22.200 ( 0.000 -9.144 11.622) 14.788 23.348 ( 0.000 0.903 -11.922) 11.956 23.881 ( 0.000 -7.427 -8.507) 11.293 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 8.766 11.943 14.379) 20.646 1.423 ( 8.454 10.880 17.565) 22.325 2.067 ( -1.369 -6.014 -4.258) 7.495 2.233 ( 4.397 2.099 10.766) 11.817 2.373 ( -0.653 -3.466 -0.790) 3.615 2.418 ( 3.051 -2.345 0.299) 3.860 2.452 ( -2.762 1.425 -5.191) 6.050 2.595 ( 0.799 -1.047 -11.265) 11.342 2.653 ( -1.555 -1.785 -3.786) 4.465 2.760 ( 2.731 5.635 1.727) 6.496 2.918 ( 0.214 -7.174 -0.676) 7.209 3.160 ( 4.363 11.312 0.512) 12.135 3.334 ( -0.423 6.314 -3.088) 7.042 3.469 ( -7.075 4.931 8.994) 12.460 3.640 ( -0.932 14.238 4.819) 15.060 3.851 ( -0.852 -1.258 2.513) 2.937 4.191 ( 5.594 -2.963 13.874) 15.250 4.408 ( 9.594 4.898 14.378) 17.965 5.158 ( 4.641 -6.828 3.656) 9.029 5.411 ( -2.119 4.261 -11.452) 12.401 5.648 ( -0.256 -1.244 -11.858) 11.926 5.684 ( -0.109 7.343 -2.968) 7.921 5.814 ( -8.182 -8.051 -8.678) 14.390 6.189 ( -10.057 -2.719 -7.675) 12.940 6.436 ( 2.716 5.227 -4.321) 7.305 6.468 ( 2.490 -1.055 15.987) 16.214 6.742 ( 2.064 -1.765 8.996) 9.397 7.097 ( 10.326 13.606 1.816) 17.177 7.367 ( -12.489 -4.028 -0.346) 13.127 7.848 ( 4.289 4.120 -0.300) 5.955 8.083 ( 9.215 -4.634 2.162) 10.539 8.476 ( -3.805 -7.046 -6.347) 10.218 8.816 ( 17.368 0.712 -5.974) 18.381 9.631 ( 1.908 -14.071 15.055) 20.696 10.052 ( -7.853 3.766 -2.401) 9.035 10.682 ( -1.009 -3.483 -1.988) 4.136 10.833 ( 2.791 10.068 3.690) 11.080 10.944 ( 5.045 11.155 9.798) 15.681 11.198 ( -1.014 -0.825 -6.327) 6.461 11.419 ( -0.229 -2.848 -7.460) 7.989 12.064 ( -2.685 7.911 -4.699) 9.585 12.295 ( -8.959 1.311 -5.557) 10.624 12.617 ( 2.223 -6.278 -12.581) 14.236 13.067 ( -4.701 -4.156 -10.567) 12.290 13.901 ( -1.834 1.646 12.937) 13.170 14.272 ( -6.976 -0.731 18.845) 20.108 14.613 ( -0.348 -3.939 5.296) 6.610 14.642 ( 0.700 -6.209 2.536) 6.743 15.657 ( 0.515 20.194 5.442) 20.921 15.907 ( -1.593 10.977 3.032) 11.499 16.266 ( -3.170 7.497 5.893) 10.049 16.435 ( 4.133 2.390 -0.327) 4.786 16.897 ( 12.108 0.665 16.693) 20.632 17.838 ( -9.941 -5.938 -8.727) 14.500 18.174 ( 0.240 -3.813 -7.590) 8.498 18.202 ( -8.549 -1.011 -14.277) 16.671 21.705 ( 15.557 -7.508 12.192) 21.143 22.258 ( 5.853 -8.940 11.716) 15.857 23.304 ( -4.433 0.940 -11.309) 12.183 23.855 ( -2.777 -7.592 -8.036) 11.398 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 9.704 10.139 7.959) 16.134 1.602 ( 10.706 8.308 12.876) 18.693 2.005 ( -5.294 -4.240 -4.471) 8.124 2.251 ( -2.815 -3.536 -6.126) 7.613 2.320 ( -2.916 -4.852 -5.144) 7.649 2.423 ( 0.336 -3.684 1.277) 3.914 2.468 ( -2.266 -0.394 -5.900) 6.332 2.508 ( -7.275 -0.146 -6.019) 9.443 2.677 ( 2.475 -1.544 0.652) 2.989 2.886 ( 9.802 6.512 9.979) 15.430 2.972 ( 3.672 -7.556 -3.390) 9.059 3.227 ( 3.052 4.595 1.278) 5.662 3.326 ( -0.519 4.959 -3.964) 6.370 3.448 ( 6.109 12.166 3.220) 13.989 3.620 ( -0.369 17.447 2.743) 17.666 3.819 ( -1.819 -0.711 -2.694) 3.327 4.343 ( 11.143 -1.737 10.553) 15.445 4.649 ( 13.097 6.653 14.277) 20.485 5.173 ( -7.943 2.160 -14.638) 16.793 5.378 ( 1.387 -1.229 -5.696) 5.990 5.488 ( -12.058 -6.516 -9.226) 16.522 5.664 ( -3.481 2.210 -3.980) 5.731 5.782 ( 3.102 -4.392 -6.907) 8.753 6.046 ( -3.525 -6.584 2.641) 7.921 6.477 ( 1.372 8.484 5.147) 10.017 6.537 ( 3.744 0.058 14.226) 14.710 6.737 ( 0.055 0.156 6.964) 6.966 7.157 ( -8.412 -4.122 2.520) 9.701 7.372 ( 14.843 12.317 3.698) 19.639 7.963 ( 7.167 3.103 0.943) 7.866 8.279 ( 7.724 -4.576 -0.577) 8.996 8.386 ( -2.749 -1.942 -1.874) 3.852 9.142 ( 13.539 -0.984 -11.904) 18.055 9.624 ( -3.985 -8.765 9.802) 13.740 9.899 ( -5.343 2.591 -8.343) 10.241 10.653 ( -3.457 -7.403 1.272) 8.269 10.919 ( 5.852 7.934 9.140) 13.444 11.039 ( 4.775 9.190 5.992) 11.965 11.193 ( 2.010 0.913 -5.775) 6.183 11.421 ( 0.181 -0.525 -5.349) 5.377 12.025 ( -0.186 4.098 -3.776) 5.576 12.113 ( -8.904 3.212 -6.720) 11.608 12.613 ( -3.016 -9.861 -11.805) 15.674 12.936 ( -8.611 -1.351 -11.026) 14.055 13.877 ( 0.536 4.843 14.092) 14.910 14.179 ( -2.395 1.856 17.829) 18.084 14.602 ( -0.739 -3.935 4.261) 5.847 14.651 ( 0.061 -5.657 3.351) 6.576 15.687 ( 2.816 17.527 1.180) 17.791 15.896 ( 0.424 13.399 -2.779) 13.691 16.233 ( 0.003 6.978 0.866) 7.032 16.518 ( 4.793 0.472 -8.894) 10.115 17.191 ( 16.754 -1.764 16.178) 23.357 17.575 ( -16.419 -1.304 -17.022) 23.686 17.937 ( -16.638 -1.011 -19.630) 25.753 18.184 ( -0.607 -7.883 -1.641) 8.075 22.020 ( 15.154 -7.815 9.944) 19.739 22.427 ( 11.250 -8.564 11.336) 18.122 23.178 ( -8.205 0.983 -9.551) 12.630 23.766 ( -6.460 -7.910 -6.537) 12.125 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 3.103 4.309 2.312) 5.791 1.840 ( 9.750 5.016 3.166) 11.413 1.874 ( -5.196 1.343 -1.822) 5.668 2.188 ( -1.547 -0.107 -2.922) 3.308 2.274 ( -1.963 -3.077 -6.460) 7.420 2.345 ( -6.725 2.059 -4.552) 8.378 2.397 ( -3.521 -1.247 -3.428) 5.070 2.467 ( 1.518 -7.827 2.000) 8.220 2.703 ( 0.459 -2.914 0.824) 3.063 2.968 ( -2.576 -6.919 1.156) 7.473 3.020 ( 2.672 -3.743 1.126) 4.735 3.246 ( -4.254 -5.921 0.257) 7.295 3.415 ( 9.525 13.504 -5.109) 17.297 3.576 ( 1.196 22.539 0.693) 22.581 3.726 ( 13.872 9.760 -4.693) 17.599 3.858 ( 9.543 3.188 -8.157) 12.952 4.613 ( 12.233 2.409 2.942) 12.810 4.766 ( -7.311 6.920 -4.020) 10.840 5.018 ( 2.558 -0.535 -9.102) 9.470 5.198 ( -15.751 -3.134 -12.207) 20.173 5.428 ( 1.084 -3.920 -1.948) 4.510 5.599 ( -3.221 2.725 -3.405) 5.421 5.846 ( 2.613 -5.277 2.106) 6.254 6.005 ( -2.108 -8.149 7.380) 11.194 6.508 ( 2.550 8.432 10.879) 13.998 6.606 ( 2.882 0.797 17.257) 17.514 6.768 ( 2.891 -0.323 4.423) 5.294 7.026 ( -5.329 -4.058 1.722) 6.916 7.638 ( 11.921 9.503 3.464) 15.634 8.122 ( 7.476 0.572 3.617) 8.325 8.209 ( -5.902 -0.953 -3.546) 6.951 8.522 ( 7.708 -1.657 2.790) 8.363 9.264 ( -1.216 -1.090 5.302) 5.548 9.521 ( -4.799 5.568 -9.619) 12.106 9.894 ( 5.181 -4.482 -11.603) 13.474 10.527 ( -9.062 -7.181 0.736) 11.586 11.011 ( 3.235 11.291 12.892) 17.441 11.093 ( 0.367 1.394 2.304) 2.718 11.383 ( 15.916 2.054 -3.709) 16.471 11.426 ( 2.281 0.913 -3.953) 4.654 11.913 ( -9.875 8.165 -2.062) 12.978 12.120 ( 7.862 -4.087 -9.286) 12.835 12.481 ( -10.945 -10.957 -8.550) 17.690 12.742 ( -10.547 0.030 -12.119) 16.066 13.936 ( 4.963 4.703 13.028) 14.713 14.154 ( -0.855 2.149 15.100) 15.277 14.588 ( -0.541 -3.928 3.463) 5.264 14.641 ( -1.136 -4.939 3.884) 6.385 15.769 ( 5.125 16.639 -3.405) 17.740 15.912 ( 0.757 14.948 -5.287) 15.874 16.279 ( 5.304 5.695 -6.645) 10.233 16.644 ( 8.431 -0.481 -16.649) 18.669 17.203 ( -19.968 1.054 -22.823) 30.343 17.528 ( 14.300 -4.534 11.053) 18.634 17.574 ( -17.878 -0.817 -22.413) 28.682 18.144 ( -3.773 -9.220 1.769) 10.118 22.290 ( 12.654 -5.367 6.970) 15.412 22.691 ( 15.236 -8.398 9.231) 19.694 22.990 ( -10.624 0.731 -6.640) 12.550 23.595 ( -11.039 -8.158 -3.738) 14.226 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.239 1.837 -4.100) 4.499 1.748 ( -4.195 2.043 -4.339) 6.372 2.050 ( 8.754 5.405 0.634) 10.308 2.198 ( -5.905 2.272 -1.686) 6.547 2.212 ( 2.054 -2.182 -3.617) 4.697 2.261 ( -1.877 -1.875 -6.378) 6.907 2.370 ( 1.944 0.470 1.583) 2.550 2.450 ( -3.897 -2.465 3.974) 6.087 2.749 ( 5.101 -9.124 1.411) 10.548 2.874 ( -6.391 -11.118 1.265) 12.886 3.070 ( 2.790 -4.318 1.724) 5.422 3.144 ( -4.898 -4.889 1.426) 7.066 3.542 ( 3.345 21.770 -4.030) 22.391 3.577 ( -0.630 19.263 -4.495) 19.791 3.996 ( 16.134 5.692 -17.664) 24.591 4.230 ( 19.651 2.992 -10.950) 22.694 4.383 ( -15.405 5.038 -20.035) 25.770 4.717 ( -21.383 1.341 -13.787) 25.478 5.021 ( 14.918 -2.898 0.099) 15.198 5.205 ( 1.941 -1.909 -0.456) 2.761 5.404 ( -0.597 2.780 1.073) 3.039 5.502 ( -6.746 3.998 -0.071) 7.843 5.893 ( 2.612 -6.437 7.240) 10.033 5.950 ( -3.100 -7.281 8.114) 11.334 6.578 ( 3.910 4.470 14.902) 16.041 6.630 ( -0.812 2.313 17.283) 17.456 6.841 ( 4.351 -1.867 2.647) 5.424 6.931 ( -4.630 -3.329 1.443) 5.882 7.845 ( 9.528 6.178 2.017) 11.534 8.023 ( -8.738 2.377 -0.081) 9.056 8.351 ( 11.394 -0.940 6.054) 12.937 8.544 ( -6.138 -3.320 7.204) 10.030 9.263 ( 4.219 4.456 -1.908) 6.426 9.399 ( -7.715 6.472 -7.900) 12.800 10.074 ( 11.702 -5.214 -9.679) 16.056 10.314 ( -12.083 -6.048 -3.425) 13.939 11.054 ( 1.554 8.900 9.264) 12.940 11.082 ( -1.258 5.561 5.156) 7.687 11.506 ( 7.707 3.674 -3.317) 9.159 11.680 ( -5.607 3.965 -3.684) 7.793 11.807 ( 15.969 -0.944 -1.196) 16.042 12.186 ( -18.135 -7.378 -4.936) 20.191 12.316 ( 10.937 -4.576 -10.553) 15.872 12.533 ( -10.810 -2.718 -12.500) 16.748 14.043 ( 5.268 3.348 12.331) 13.821 14.123 ( -2.656 2.476 13.223) 13.713 14.588 ( 0.612 -4.025 3.289) 5.233 14.611 ( -1.617 -4.357 3.715) 5.949 15.862 ( 3.805 16.845 -3.810) 17.685 15.910 ( -1.156 16.149 -4.538) 16.815 16.465 ( 13.777 3.609 -17.459) 22.531 16.794 ( -15.739 1.192 -23.389) 28.216 16.874 ( 10.026 0.367 -23.103) 25.187 17.188 ( -18.501 -0.756 -25.719) 31.692 17.821 ( 12.869 -7.015 8.529) 16.958 18.028 ( -8.140 -8.753 4.831) 12.893 22.530 ( 11.959 -2.493 2.251) 12.422 22.763 ( -11.618 -0.523 -2.661) 11.930 23.017 ( 16.710 -8.172 5.243) 19.326 23.335 ( -15.136 -8.271 0.436) 17.254 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 12.030 10.102) 15.709 1.611 ( 0.000 14.760 12.264) 19.190 1.965 ( 0.000 -3.757 0.856) 3.853 2.164 ( 0.000 -6.233 -3.163) 6.989 2.235 ( 0.000 -8.767 -1.142) 8.841 2.372 ( 0.000 -11.747 4.177) 12.468 2.481 ( 0.000 4.003 3.775) 5.503 2.541 ( 0.000 0.049 -6.889) 6.890 2.713 ( 0.000 4.896 -5.616) 7.450 2.750 ( 0.000 3.115 -18.022) 18.289 2.946 ( 0.000 3.962 -4.212) 5.783 3.251 ( 0.000 -9.150 -3.990) 9.983 3.426 ( 0.000 16.871 9.986) 19.605 3.827 ( 0.000 3.159 13.425) 13.792 3.851 ( 0.000 11.086 14.610) 18.340 3.953 ( 0.000 11.312 5.439) 12.551 4.122 ( 0.000 -0.760 7.568) 7.606 4.445 ( 0.000 9.387 9.855) 13.610 4.904 ( 0.000 -7.059 9.640) 11.948 5.476 ( 0.000 2.233 -10.187) 10.429 5.502 ( 0.000 -11.608 -5.258) 12.743 5.649 ( 0.000 -8.113 -5.533) 9.820 6.041 ( 0.000 10.148 -13.849) 17.170 6.274 ( 0.000 -1.954 -12.209) 12.364 6.388 ( 0.000 -0.604 2.729) 2.795 6.437 ( 0.000 -2.408 1.064) 2.633 6.834 ( 0.000 12.340 16.606) 20.689 7.174 ( 0.000 5.878 -3.219) 6.702 7.488 ( 0.000 -3.580 -9.966) 10.590 7.628 ( 0.000 -17.115 0.046) 17.116 7.946 ( 0.000 7.959 -1.297) 8.064 8.330 ( 0.000 -9.314 -6.385) 11.292 8.784 ( 0.000 10.676 15.336) 18.686 9.316 ( 0.000 -13.352 16.649) 21.341 10.216 ( 0.000 5.200 -0.175) 5.203 10.550 ( 0.000 -8.872 -4.496) 9.946 11.053 ( 0.000 6.574 8.256) 10.554 11.134 ( 0.000 9.899 -4.385) 10.827 11.255 ( 0.000 5.868 3.421) 6.793 11.356 ( 0.000 -0.894 -8.956) 9.001 12.259 ( 0.000 1.622 -13.547) 13.643 12.322 ( 0.000 -6.586 -0.599) 6.613 12.549 ( 0.000 5.328 -6.163) 8.147 12.964 ( 0.000 -8.413 -7.874) 11.523 14.000 ( 0.000 7.650 8.092) 11.136 14.326 ( 0.000 1.173 16.207) 16.250 14.444 ( 0.000 -10.259 2.136) 10.479 14.521 ( 0.000 -5.596 9.322) 10.873 16.077 ( 0.000 5.414 12.531) 13.651 16.227 ( 0.000 19.396 6.984) 20.616 16.312 ( 0.000 8.680 12.360) 15.103 16.637 ( 0.000 10.262 -2.051) 10.465 16.816 ( 0.000 2.888 11.246) 11.611 17.598 ( 0.000 -21.393 0.138) 21.393 18.188 ( 0.000 1.767 -12.712) 12.835 18.267 ( 0.000 -1.606 -12.776) 12.877 21.483 ( 0.000 3.056 12.893) 13.251 21.942 ( 0.000 -14.058 10.059) 17.286 23.388 ( 0.000 3.202 -11.625) 12.058 23.685 ( 0.000 -9.912 -9.745) 13.901 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 5.353 9.783 8.702) 14.145 1.708 ( 7.527 13.966 10.877) 19.236 1.949 ( -1.235 -3.456 1.141) 3.843 2.172 ( 0.866 -5.761 -3.888) 7.004 2.238 ( 0.163 -8.129 -1.494) 8.266 2.401 ( -6.070 2.120 1.959) 6.722 2.456 ( 6.484 -12.081 2.739) 13.982 2.522 ( -2.572 -0.550 -4.568) 5.272 2.665 ( -3.354 4.527 -12.962) 14.134 2.788 ( 2.227 0.807 -12.091) 12.321 2.958 ( 1.298 5.372 -2.458) 6.048 3.235 ( -1.902 -7.745 -2.622) 8.395 3.523 ( 8.967 18.231 8.879) 22.172 3.637 ( -8.272 7.503 8.563) 14.073 3.860 ( -5.881 3.882 6.812) 9.801 4.032 ( 7.797 7.986 14.359) 18.186 4.188 ( 5.563 8.511 3.502) 10.754 4.538 ( 8.764 6.801 11.636) 16.077 4.976 ( 6.445 -7.645 7.326) 12.396 5.450 ( -2.075 -3.997 -7.357) 8.626 5.514 ( -0.864 -6.906 -5.594) 8.929 5.632 ( -1.434 -6.432 -10.192) 12.137 5.906 ( -10.168 9.434 -9.940) 17.065 6.136 ( -11.089 -2.654 -10.246) 15.329 6.450 ( 4.303 -0.132 7.170) 8.363 6.496 ( 4.540 -0.094 -0.825) 4.616 6.794 ( -2.235 6.880 11.123) 13.269 7.213 ( -8.675 -8.254 5.501) 13.178 7.402 ( 11.460 12.063 -5.402) 17.493 7.893 ( 14.592 -9.799 -3.419) 17.906 7.991 ( 4.346 6.519 -0.586) 7.857 8.329 ( 0.083 -6.894 -3.413) 7.693 8.880 ( 9.822 5.916 4.071) 12.167 9.329 ( 1.299 -13.592 16.176) 21.168 10.162 ( -5.194 6.584 -0.880) 8.432 10.531 ( -1.983 -9.064 -2.386) 9.580 11.041 ( 0.034 7.303 3.114) 7.939 11.173 ( 2.466 4.993 -2.394) 6.062 11.244 ( -0.782 6.657 4.189) 7.904 11.379 ( 2.756 1.544 -6.268) 7.019 12.150 ( -8.160 -0.897 -8.855) 12.075 12.333 ( -1.145 -3.461 -6.034) 7.050 12.513 ( -3.563 3.883 -5.870) 7.888 12.937 ( -2.851 -7.969 -8.762) 12.182 14.009 ( 0.781 8.256 8.330) 11.754 14.293 ( -2.747 2.816 16.132) 16.605 14.455 ( 0.866 -9.846 2.578) 10.215 14.520 ( -0.086 -5.735 8.885) 10.576 16.028 ( -2.801 8.917 7.127) 11.754 16.272 ( 2.315 4.542 7.167) 8.795 16.313 ( 0.941 21.550 6.970) 22.669 16.638 ( 0.413 11.551 -3.038) 11.951 16.909 ( 8.709 0.319 12.352) 15.117 17.576 ( -2.671 -19.225 -1.749) 19.488 18.122 ( -6.304 -0.501 -12.431) 13.947 18.173 ( -9.173 -1.609 -14.509) 17.241 21.613 ( 11.955 0.478 12.878) 17.578 22.007 ( 6.509 -13.507 10.539) 18.327 23.346 ( -4.270 3.342 -11.038) 12.298 23.654 ( -3.243 -10.205 -9.207) 14.122 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 8.620 5.323 5.524) 11.539 1.820 ( 2.602 9.645 8.947) 13.411 1.923 ( -1.442 -0.278 3.021) 3.359 2.194 ( 0.637 -5.020 -3.621) 6.222 2.233 ( -0.167 -5.386 -5.550) 7.735 2.293 ( -3.744 -0.067 0.443) 3.771 2.435 ( -4.983 -4.744 -1.920) 7.143 2.534 ( -3.464 -3.752 -4.855) 7.046 2.616 ( 1.321 0.781 -6.518) 6.697 2.838 ( 2.906 -4.548 -9.724) 11.121 2.985 ( -0.167 3.582 -0.896) 3.696 3.176 ( -3.314 -4.967 -0.180) 5.974 3.529 ( 0.172 8.265 -1.044) 8.332 3.743 ( -2.767 -2.852 -1.023) 4.103 3.798 ( 14.642 21.643 8.967) 27.626 4.166 ( 4.397 22.524 6.053) 23.734 4.357 ( 13.000 3.392 5.043) 14.351 4.748 ( 11.501 2.316 11.490) 16.421 5.106 ( 5.056 -7.340 0.038) 8.912 5.304 ( -15.259 -9.381 -9.309) 20.186 5.433 ( -4.659 3.859 -12.046) 13.479 5.644 ( 2.159 -4.807 -5.130) 7.355 5.752 ( -5.181 2.994 -5.018) 7.809 5.929 ( -8.157 -4.739 -2.712) 9.816 6.539 ( 4.763 0.705 10.745) 11.774 6.579 ( 3.554 0.870 0.821) 3.750 6.765 ( -0.849 3.369 10.480) 11.041 7.035 ( -7.511 -6.977 5.510) 11.639 7.678 ( 13.117 13.911 3.374) 19.415 8.076 ( 4.609 7.147 2.297) 8.809 8.124 ( 6.986 -8.203 -2.841) 11.143 8.356 ( 3.787 -2.074 3.220) 5.386 9.126 ( 12.278 0.068 -7.948) 14.626 9.376 ( 4.814 -11.989 7.380) 14.879 10.030 ( -7.839 8.516 -2.537) 11.849 10.466 ( -4.925 -10.085 0.825) 11.254 11.076 ( 3.312 4.750 -1.325) 5.940 11.217 ( 2.821 3.116 4.440) 6.114 11.250 ( 2.322 7.519 1.883) 8.091 11.465 ( 5.155 5.768 -5.416) 9.443 11.994 ( -6.391 -3.551 -8.737) 11.393 12.261 ( -6.025 -1.026 -7.193) 9.439 12.415 ( -6.416 0.285 -5.773) 8.636 12.844 ( -6.801 -7.331 -9.733) 13.955 14.031 ( 1.585 9.109 9.115) 12.984 14.247 ( -1.501 4.499 14.513) 15.268 14.467 ( 0.278 -8.573 3.848) 9.401 14.519 ( -0.032 -6.214 7.537) 9.769 16.014 ( 1.867 10.680 -2.700) 11.173 16.303 ( 2.044 -1.558 1.308) 2.884 16.354 ( 2.335 28.302 1.466) 28.435 16.661 ( 2.040 12.954 -5.480) 14.212 17.125 ( 12.415 -4.759 11.648) 17.676 17.467 ( -9.154 -11.423 -8.805) 17.083 17.909 ( -16.042 -1.419 -18.796) 24.752 17.990 ( -7.343 -7.912 -8.973) 14.037 21.893 ( 15.459 -2.251 12.061) 19.736 22.191 ( 11.938 -12.431 10.810) 20.344 23.223 ( -8.145 3.618 -9.269) 12.858 23.555 ( -6.985 -10.836 -7.540) 14.935 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -1.571 5.799 3.014) 6.721 1.867 ( -2.091 3.374 6.272) 7.422 1.925 ( 7.893 1.050 2.850) 8.457 2.195 ( 0.480 -3.619 -4.382) 5.703 2.249 ( -0.204 -8.188 2.952) 8.706 2.261 ( 0.571 2.126 -8.908) 9.176 2.342 ( -3.886 -4.342 0.327) 5.836 2.415 ( -6.405 2.860 -7.552) 10.308 2.647 ( 1.015 -2.796 -0.340) 2.994 2.888 ( 0.239 -7.819 -3.159) 8.436 2.902 ( -5.221 1.807 1.689) 5.777 3.113 ( -4.287 -5.697 0.722) 7.166 3.638 ( 10.353 6.547 -12.410) 17.437 3.773 ( 6.967 -0.118 -10.915) 12.950 4.090 ( 10.341 21.298 0.464) 23.680 4.228 ( 5.410 25.888 0.499) 26.452 4.670 ( 17.246 0.289 4.429) 17.808 4.840 ( -14.584 -0.641 -9.870) 17.621 5.010 ( -2.132 -0.239 -11.088) 11.294 5.135 ( -3.561 -3.446 -5.581) 7.464 5.369 ( 0.909 -0.010 2.979) 3.115 5.654 ( -2.503 1.975 -0.817) 3.292 5.697 ( -0.088 -7.831 -1.285) 7.936 5.831 ( -3.123 -7.512 4.746) 9.418 6.618 ( 2.519 1.606 7.099) 7.702 6.640 ( 3.211 2.483 11.139) 11.856 6.763 ( 0.842 0.353 10.907) 10.945 6.921 ( -4.480 -5.380 5.438) 8.865 7.888 ( 8.464 12.057 6.821) 16.234 8.128 ( 0.171 -0.778 2.865) 2.974 8.204 ( 3.489 1.731 4.437) 5.903 8.453 ( 3.292 -5.110 7.398) 9.575 9.274 ( 5.215 2.953 -2.120) 6.357 9.566 ( 11.482 -4.589 -12.071) 17.280 9.873 ( -7.014 5.875 -5.111) 10.481 10.331 ( -8.677 -10.809 0.676) 13.878 11.144 ( 3.302 3.612 0.522) 4.921 11.310 ( 5.638 13.731 9.678) 17.720 11.366 ( 8.987 -1.725 -1.865) 9.339 11.539 ( 3.176 9.466 -9.340) 13.672 11.965 ( 4.080 -8.682 -8.173) 12.602 12.105 ( -9.245 -0.500 -6.999) 11.606 12.255 ( -10.024 -1.962 -4.953) 11.352 12.667 ( -11.018 -6.969 -9.639) 16.213 14.079 ( 3.340 8.335 9.476) 13.054 14.230 ( -0.604 4.940 12.376) 13.339 14.467 ( -0.109 -7.333 4.584) 8.648 14.513 ( -0.700 -6.514 6.324) 9.106 16.107 ( 7.336 12.220 -11.449) 18.281 16.358 ( 2.314 15.587 -1.330) 15.814 16.406 ( 4.212 12.686 -5.606) 14.495 16.727 ( 5.015 11.306 -10.215) 16.041 17.204 ( -15.821 -2.381 -18.070) 24.135 17.374 ( 11.144 -10.188 8.235) 17.199 17.556 ( -18.686 -0.363 -22.741) 29.436 17.866 ( -5.613 -15.572 -2.496) 16.740 22.198 ( 15.493 -1.734 8.838) 17.920 22.465 ( 15.638 -11.605 8.996) 21.451 23.030 ( -11.355 3.512 -6.228) 13.418 23.375 ( -11.335 -11.341 -4.544) 16.666 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -0.423 6.036 2.933) 6.724 1.808 ( -2.420 5.010 3.380) 6.510 2.093 ( 8.091 -1.916 0.154) 8.316 2.203 ( 0.436 -0.845 -6.956) 7.021 2.222 ( -3.251 -4.646 -2.531) 6.210 2.253 ( -4.976 2.025 -5.195) 7.473 2.291 ( 2.836 -8.583 1.608) 9.181 2.343 ( -1.765 -1.858 0.462) 2.604 2.673 ( 2.272 0.209 1.398) 2.676 2.756 ( -6.269 2.092 3.547) 7.501 2.939 ( 2.949 -7.467 0.074) 8.029 3.016 ( -4.819 -6.620 1.473) 8.320 3.869 ( 10.856 9.209 -17.123) 22.268 3.961 ( 6.969 10.511 -13.792) 18.689 4.135 ( 3.587 7.812 -15.633) 17.840 4.429 ( -16.370 2.438 -17.836) 24.332 4.483 ( 11.127 16.019 -5.725) 20.327 4.791 ( -15.675 7.986 -12.926) 21.831 5.003 ( 14.125 0.059 0.897) 14.154 5.169 ( -1.102 -2.889 -0.590) 3.148 5.444 ( 5.928 1.077 6.010) 8.510 5.570 ( -5.814 2.439 2.067) 6.635 5.709 ( 1.533 -10.195 6.267) 12.065 5.765 ( -3.658 -9.043 7.075) 12.050 6.660 ( 2.077 3.071 10.656) 11.283 6.682 ( 0.435 2.504 13.540) 13.776 6.795 ( 2.179 -2.411 8.486) 9.087 6.847 ( -3.183 -4.214 5.825) 7.862 8.018 ( 4.994 9.353 6.699) 12.542 8.095 ( -2.970 4.174 4.793) 7.015 8.304 ( 6.499 -3.380 9.196) 11.757 8.430 ( -5.092 -7.237 11.116) 14.208 9.415 ( 9.139 9.751 -7.500) 15.325 9.599 ( -8.074 11.437 -8.319) 16.285 9.912 ( 10.596 -9.666 -8.876) 16.867 10.134 ( -11.083 -10.557 -3.436) 15.687 11.218 ( 4.500 8.143 2.229) 9.567 11.314 ( -4.438 13.708 3.342) 14.791 11.582 ( 12.752 -2.648 -2.934) 13.351 11.706 ( 10.903 4.697 -7.344) 13.960 11.872 ( -9.803 -0.277 -2.093) 10.028 12.016 ( -13.096 -1.481 -5.477) 14.272 12.169 ( 11.718 -9.012 -8.158) 16.885 12.425 ( -13.251 -7.698 -9.364) 17.959 14.152 ( 3.650 6.603 9.830) 12.392 14.208 ( -1.935 5.442 10.903) 12.338 14.471 ( 0.653 -6.713 4.814) 8.286 14.492 ( -1.282 -6.491 5.491) 8.598 16.267 ( 7.409 17.330 -10.978) 21.811 16.359 ( -2.087 23.500 -3.575) 23.862 16.556 ( 11.180 3.496 -14.214) 18.419 16.816 ( -8.033 1.466 -19.601) 21.234 16.931 ( 1.973 6.208 -19.092) 20.173 17.186 ( -17.147 1.768 -23.304) 28.986 17.591 ( 9.450 -14.657 4.963) 18.132 17.749 ( -6.754 -17.096 1.703) 18.460 22.498 ( 14.900 0.509 3.585) 15.333 22.763 ( -1.688 -2.338 0.755) 2.981 22.809 ( 4.955 -6.545 2.259) 8.514 23.113 ( -15.185 -11.499 -0.177) 19.049 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 -5.851 3.725) 6.936 1.754 ( 0.000 5.851 3.725) 6.936 2.040 ( 0.000 -11.003 5.626) 12.358 2.040 ( 0.000 11.003 5.626) 12.358 2.115 ( 0.000 -1.735 1.289) 2.161 2.115 ( 0.000 1.735 1.289) 2.161 2.530 ( 0.000 -1.222 -2.984) 3.224 2.530 ( 0.000 1.222 -2.984) 3.224 2.796 ( 0.000 -0.228 -16.687) 16.688 2.796 ( 0.000 0.228 -16.687) 16.688 3.055 ( 0.000 -7.728 -5.110) 9.265 3.055 ( 0.000 7.728 -5.110) 9.265 3.730 ( 0.000 -10.270 16.460) 19.402 3.730 ( 0.000 10.270 16.460) 19.402 4.041 ( 0.000 -6.688 10.825) 12.724 4.041 ( 0.000 6.688 10.825) 12.724 4.310 ( 0.000 -18.298 7.360) 19.723 4.310 ( 0.000 18.298 7.360) 19.723 5.122 ( 0.000 -20.901 5.592) 21.636 5.122 ( 0.000 20.901 5.592) 21.636 5.535 ( 0.000 -3.572 -10.991) 11.557 5.535 ( 0.000 3.572 -10.991) 11.557 6.205 ( 0.000 -5.108 -13.714) 14.634 6.205 ( 0.000 5.108 -13.714) 14.634 6.394 ( 0.000 -1.303 2.081) 2.455 6.394 ( 0.000 1.303 2.081) 2.455 7.128 ( 0.000 -12.877 14.229) 19.190 7.128 ( 0.000 12.877 14.229) 19.190 7.418 ( 0.000 -0.960 -12.511) 12.548 7.418 ( 0.000 0.960 -12.511) 12.548 8.131 ( 0.000 -9.182 -3.478) 9.818 8.131 ( 0.000 9.182 -3.478) 9.818 9.036 ( 0.000 -12.729 16.272) 20.660 9.036 ( 0.000 12.729 16.272) 20.660 10.361 ( 0.000 -8.237 -2.162) 8.516 10.361 ( 0.000 8.237 -2.162) 8.516 11.154 ( 0.000 -3.593 -2.401) 4.321 11.154 ( 0.000 3.593 -2.401) 4.321 11.381 ( 0.000 -2.223 3.092) 3.808 11.381 ( 0.000 2.223 3.092) 3.808 12.227 ( 0.000 -0.169 -8.707) 8.709 12.227 ( 0.000 0.169 -8.707) 8.709 12.757 ( 0.000 -10.916 -5.517) 12.231 12.757 ( 0.000 10.916 -5.517) 12.231 14.210 ( 0.000 -11.128 4.191) 11.891 14.210 ( 0.000 11.128 4.191) 11.891 14.400 ( 0.000 -5.182 12.753) 13.766 14.400 ( 0.000 5.182 12.753) 13.766 16.185 ( 0.000 -4.766 13.705) 14.510 16.185 ( 0.000 4.766 13.705) 14.510 16.734 ( 0.000 -3.050 5.951) 6.688 16.734 ( 0.000 3.050 5.951) 6.688 17.056 ( 0.000 -26.294 2.445) 26.408 17.056 ( 0.000 26.294 2.445) 26.408 18.228 ( 0.000 -1.927 -12.712) 12.857 18.228 ( 0.000 1.927 -12.712) 12.857 21.651 ( 0.000 -11.960 10.019) 15.602 21.651 ( 0.000 11.960 10.019) 15.602 23.497 ( 0.000 -7.171 -10.953) 13.091 23.497 ( 0.000 7.171 -10.953) 13.091 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 2.091 -6.540 3.346) 7.638 1.776 ( 2.091 6.540 3.346) 7.638 2.069 ( 1.524 -7.091 3.132) 7.900 2.069 ( 1.524 7.091 3.132) 7.900 2.164 ( 4.713 -8.393 3.983) 10.417 2.164 ( 4.713 8.393 3.983) 10.417 2.472 ( -4.824 -3.405 -4.028) 7.147 2.472 ( -4.824 3.405 -4.028) 7.147 2.771 ( -2.154 -3.502 -15.707) 16.236 2.771 ( -2.154 3.502 -15.707) 16.236 3.072 ( 0.979 -6.525 -4.573) 8.028 3.072 ( 0.979 6.525 -4.573) 8.028 3.732 ( -2.129 -1.365 9.055) 9.401 3.732 ( -2.129 1.365 9.055) 9.401 3.997 ( 2.484 -6.636 14.081) 15.763 3.997 ( 2.484 6.636 14.081) 15.763 4.459 ( 10.800 -12.874 6.369) 17.971 4.459 ( 10.800 12.874 6.369) 17.971 5.120 ( -0.551 -18.249 4.795) 18.876 5.120 ( -0.551 18.249 4.795) 18.876 5.536 ( 0.120 -3.237 -11.025) 11.491 5.536 ( 0.120 3.237 -11.025) 11.491 6.059 ( -11.490 -5.019 -10.829) 16.567 6.059 ( -11.490 5.019 -10.829) 16.567 6.468 ( 4.978 -1.619 1.684) 5.499 6.468 ( 4.978 1.619 1.684) 5.499 6.996 ( -7.617 -10.914 9.282) 16.227 6.996 ( -7.617 10.914 9.282) 16.227 7.652 ( 16.367 -11.481 -5.409) 20.711 7.652 ( 16.367 11.481 -5.409) 20.711 8.166 ( 3.523 -8.385 -2.177) 9.352 8.166 ( 3.523 8.385 -2.177) 9.352 9.065 ( 3.179 -10.948 12.107) 16.630 9.065 ( 3.179 10.948 12.107) 16.630 10.331 ( -3.100 -9.082 -1.301) 9.684 10.331 ( -3.100 9.082 -1.301) 9.684 11.148 ( -0.300 -3.871 -3.349) 5.127 11.148 ( -0.300 3.871 -3.349) 5.127 11.401 ( 2.194 -4.216 4.012) 6.219 11.401 ( 2.194 4.216 4.012) 6.219 12.174 ( -5.088 -5.742 -9.252) 12.019 12.174 ( -5.088 5.742 -9.252) 12.019 12.728 ( -3.016 -11.335 -5.928) 13.143 12.728 ( -3.016 11.335 -5.928) 13.143 14.221 ( 0.943 -10.840 4.600) 11.813 14.221 ( 0.943 10.840 4.600) 11.813 14.394 ( -0.493 -5.572 12.235) 13.453 14.394 ( -0.493 5.572 12.235) 13.453 16.176 ( -0.395 -5.878 8.652) 10.467 16.176 ( -0.395 5.878 8.652) 10.467 16.785 ( 4.652 -1.262 5.570) 7.367 16.785 ( 4.652 1.262 5.570) 7.367 17.062 ( 0.485 -24.583 2.140) 24.681 17.062 ( 0.485 24.583 2.140) 24.681 18.138 ( -8.889 -1.519 -14.081) 16.722 18.138 ( -8.889 1.519 -14.081) 16.722 21.737 ( 8.333 -10.469 10.813) 17.204 21.737 ( 8.333 10.469 10.813) 17.204 23.459 ( -3.844 -7.446 -10.382) 13.342 23.459 ( -3.844 7.446 -10.382) 13.342 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 3.115 -3.284 2.746) 5.295 1.828 ( 3.115 3.284 2.746) 5.295 2.085 ( 0.031 -5.922 4.206) 7.264 2.085 ( 0.031 5.922 4.206) 7.264 2.212 ( -1.563 -8.792 3.231) 9.496 2.212 ( -1.563 8.792 3.231) 9.496 2.409 ( -0.494 -5.162 -5.851) 7.818 2.409 ( -0.494 5.162 -5.851) 7.818 2.726 ( -2.133 -6.118 -12.465) 14.049 2.726 ( -2.133 6.118 -12.465) 14.049 3.072 ( -1.558 -4.576 -2.364) 5.381 3.072 ( -1.558 4.576 -2.364) 5.381 3.661 ( -1.823 -4.781 -1.103) 5.234 3.661 ( -1.823 4.781 -1.103) 5.234 4.203 ( 15.705 -12.363 11.301) 22.961 4.203 ( 15.705 12.363 11.301) 22.961 4.651 ( 7.668 -13.294 3.637) 15.772 4.651 ( 7.668 13.294 3.637) 15.772 5.082 ( -3.558 -8.313 -0.796) 9.077 5.082 ( -3.558 8.313 -0.796) 9.077 5.533 ( -1.047 -5.168 -9.227) 10.628 5.533 ( -1.047 5.168 -9.227) 10.628 5.836 ( -9.474 -4.201 -5.192) 11.591 5.836 ( -9.474 4.201 -5.192) 11.591 6.563 ( 4.643 -1.423 4.197) 6.419 6.563 ( 4.643 1.423 4.197) 6.419 6.880 ( -4.378 -6.944 9.517) 12.568 6.880 ( -4.378 6.944 9.517) 12.568 7.925 ( 10.292 -9.819 0.260) 14.227 7.925 ( 10.292 9.819 0.260) 14.227 8.258 ( 4.889 -7.423 3.826) 9.677 8.258 ( 4.889 7.423 3.826) 9.677 9.179 ( 8.817 -5.735 -0.069) 10.518 9.179 ( 8.817 5.735 -0.069) 10.518 10.238 ( -6.338 -10.700 -0.126) 12.437 10.238 ( -6.338 10.700 -0.126) 12.437 11.161 ( 2.116 -3.961 -2.813) 5.299 11.161 ( 2.116 3.961 -2.813) 5.299 11.478 ( 6.040 -7.714 3.432) 10.381 11.478 ( 6.040 7.714 3.432) 10.381 12.042 ( -8.132 -9.832 -10.353) 16.431 12.042 ( -8.132 9.832 -10.353) 16.431 12.634 ( -6.754 -11.864 -6.324) 15.046 12.634 ( -6.754 11.864 -6.324) 15.046 14.240 ( 0.986 -9.562 5.633) 11.141 14.240 ( 0.986 9.562 5.633) 11.141 14.387 ( -0.263 -5.542 10.725) 12.075 14.387 ( -0.263 5.542 10.725) 12.075 16.195 ( 2.900 -6.937 -1.688) 7.706 16.195 ( 2.900 6.937 -1.688) 7.706 16.887 ( 4.750 -2.270 2.972) 6.046 16.887 ( 4.750 2.270 2.972) 6.046 17.073 ( 0.722 -15.761 1.205) 15.824 17.073 ( 0.722 15.761 1.205) 15.824 17.901 ( -14.530 -1.308 -16.870) 22.303 17.901 ( -14.530 1.308 -16.870) 22.303 21.958 ( 13.589 -8.031 11.367) 19.452 21.958 ( 13.589 8.031 11.367) 19.452 23.346 ( -7.700 -8.052 -8.617) 14.085 23.346 ( -7.700 8.052 -8.617) 14.085 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 3.303 -3.051 2.717) 5.253 1.893 ( 3.303 3.051 2.717) 5.253 2.060 ( -2.633 -9.663 7.506) 12.516 2.060 ( -2.633 9.663 7.506) 12.516 2.168 ( -0.761 -2.802 -3.522) 4.564 2.168 ( -0.761 2.802 -3.522) 4.564 2.394 ( -2.592 -3.985 -5.166) 7.020 2.394 ( -2.592 3.985 -5.166) 7.020 2.708 ( 0.933 -7.582 -5.750) 9.561 2.708 ( 0.933 7.582 -5.750) 9.561 2.996 ( -5.764 -5.362 1.288) 7.977 2.996 ( -5.764 5.362 1.288) 7.977 3.735 ( 9.370 -3.097 -13.223) 16.500 3.735 ( 9.370 3.097 -13.223) 16.500 4.493 ( 7.829 -13.436 1.240) 15.600 4.493 ( 7.829 13.436 1.240) 15.600 4.716 ( 1.165 -13.952 -3.904) 14.535 4.716 ( 1.165 13.952 -3.904) 14.535 5.026 ( -0.165 -3.654 -5.621) 6.706 5.026 ( -0.165 3.654 -5.621) 6.706 5.490 ( -2.051 -9.636 0.633) 9.873 5.490 ( -2.051 9.636 0.633) 9.873 5.717 ( -3.858 -3.402 0.352) 5.156 5.717 ( -3.858 3.402 0.352) 5.156 6.647 ( 3.878 -1.206 7.058) 8.143 6.647 ( 3.878 1.206 7.058) 8.143 6.814 ( -2.620 -4.231 10.549) 11.664 6.814 ( -2.620 4.231 10.549) 11.664 8.073 ( 5.763 -4.806 4.432) 8.716 8.073 ( 5.763 4.806 4.432) 8.716 8.309 ( -0.151 -7.429 10.948) 13.231 8.309 ( -0.151 7.429 10.948) 13.231 9.400 ( 12.856 -8.306 -9.973) 18.268 9.400 ( 12.856 8.306 -9.973) 18.268 10.084 ( -9.214 -11.790 -1.284) 15.018 10.084 ( -9.214 11.790 -1.284) 15.018 11.245 ( 6.602 -5.534 -0.745) 8.646 11.245 ( 6.602 5.534 -0.745) 8.646 11.641 ( 9.778 -10.430 2.316) 14.483 11.641 ( 9.778 10.430 2.316) 14.483 11.868 ( -8.695 -9.882 -11.937) 17.770 11.868 ( -8.695 9.882 -11.937) 17.770 12.460 ( -10.856 -11.762 -6.139) 17.143 12.461 ( -10.856 11.762 -6.139) 17.143 14.265 ( 1.697 -7.808 6.381) 10.226 14.265 ( 1.697 7.808 6.381) 10.226 14.378 ( -0.847 -5.177 9.197) 10.588 14.378 ( -0.847 5.177 9.197) 10.588 16.303 ( 8.226 -6.774 -11.420) 15.619 16.303 ( 8.226 6.774 -11.420) 15.619 16.917 ( -3.016 -14.305 -3.879) 15.125 16.917 ( -3.016 14.305 -3.879) 15.125 17.113 ( 4.012 -9.322 0.332) 10.154 17.113 ( 4.012 9.322 0.332) 10.154 17.603 ( -14.711 -6.515 -16.528) 23.066 17.603 ( -14.711 6.515 -16.528) 23.066 22.254 ( 16.211 -6.970 9.188) 19.895 22.254 ( 16.211 6.970 9.188) 19.895 23.156 ( -11.612 -8.433 -5.503) 15.370 23.156 ( -11.612 8.433 -5.503) 15.370 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 2.517 -8.170 4.025) 9.449 1.950 ( 2.517 8.170 4.025) 9.449 2.001 ( -2.878 -10.692 5.737) 12.471 2.001 ( -2.878 10.692 5.737) 12.471 2.203 ( 3.979 -1.372 -4.650) 6.272 2.203 ( 3.979 1.372 -4.650) 6.272 2.305 ( -5.723 -2.270 -5.425) 8.206 2.305 ( -5.723 2.270 -5.425) 8.206 2.766 ( 4.596 -6.929 -0.016) 8.315 2.766 ( 4.596 6.929 -0.016) 8.315 2.874 ( -6.147 -6.169 1.979) 8.930 2.874 ( -6.147 6.169 1.979) 8.930 3.995 ( 16.156 -3.268 -20.165) 26.045 3.995 ( 16.156 3.268 -20.165) 26.045 4.330 ( -16.524 -7.884 -18.215) 25.826 4.330 ( -16.524 7.884 -18.215) 25.826 4.887 ( 10.326 -14.267 -1.777) 17.701 4.887 ( 10.326 14.267 -1.777) 17.701 5.021 ( -2.855 -10.242 -4.224) 11.441 5.021 ( -2.855 10.242 -4.224) 11.441 5.509 ( 4.412 -6.644 7.552) 10.983 5.509 ( 4.412 6.644 7.552) 10.983 5.625 ( -5.974 -3.701 4.547) 8.370 5.625 ( -5.974 3.701 4.547) 8.370 6.715 ( 3.064 -1.431 9.445) 10.032 6.715 ( 3.064 1.431 9.445) 10.032 6.768 ( -2.334 -2.141 10.554) 11.019 6.768 ( -2.334 2.141 10.554) 11.019 8.175 ( 4.887 -1.049 8.270) 9.663 8.175 ( 4.887 1.049 8.270) 9.663 8.264 ( -3.897 -5.370 11.359) 13.155 8.264 ( -3.897 5.370 11.359) 13.155 9.653 ( 12.443 -11.346 -9.761) 19.464 9.653 ( 12.443 11.346 -9.761) 19.464 9.884 ( -11.053 -12.039 -5.198) 17.151 9.884 ( -11.053 12.039 -5.198) 17.151 11.413 ( 10.097 -9.647 -1.260) 14.022 11.413 ( 10.097 9.647 -1.260) 14.022 11.622 ( -10.355 -14.352 -2.325) 17.850 11.622 ( -10.355 14.352 -2.325) 17.850 11.934 ( 13.634 -11.547 -7.044) 19.205 11.934 ( 13.634 11.547 -7.044) 19.205 12.214 ( -13.949 -11.400 -5.937) 18.968 12.214 ( -13.949 11.400 -5.937) 18.968 14.306 ( 2.342 -6.277 7.015) 9.700 14.306 ( 2.342 6.277 7.015) 9.700 14.350 ( -1.932 -5.360 7.985) 9.810 14.350 ( -1.932 5.360 7.985) 9.810 16.513 ( 12.690 -6.175 -16.680) 21.849 16.513 ( 12.690 6.175 -16.680) 21.849 16.765 ( -11.646 -9.776 -13.566) 20.378 16.765 ( -11.646 9.776 -13.566) 20.378 17.217 ( 6.131 -18.377 -2.532) 19.538 17.217 ( 6.131 18.377 -2.532) 19.538 17.363 ( -9.392 -15.652 -9.067) 20.381 17.363 ( -9.392 15.652 -9.067) 20.381 22.580 ( 16.665 -7.344 4.438) 18.745 22.580 ( 16.665 7.344 4.438) 18.745 22.894 ( -14.942 -8.137 -0.975) 17.042 22.894 ( -14.942 8.137 -0.975) 17.042 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.000 0.000 17.753) 17.753 1.641 ( 0.000 0.000 18.660) 18.660 1.998 ( 0.000 0.000 -7.673) 7.673 2.296 ( 0.000 0.000 -5.171) 5.171 2.309 ( 0.000 0.000 -2.474) 2.474 2.321 ( 0.000 0.000 -10.273) 10.273 2.485 ( 0.000 0.000 -6.576) 6.576 2.503 ( 0.000 0.000 5.126) 5.126 2.504 ( 0.000 0.000 -6.489) 6.489 2.901 ( 0.000 0.000 -1.237) 1.237 3.023 ( 0.000 0.000 2.233) 2.233 3.040 ( 0.000 0.000 20.720) 20.720 3.154 ( 0.000 0.000 -1.511) 1.511 3.567 ( 0.000 0.000 -1.991) 1.991 3.876 ( 0.000 0.000 20.988) 20.988 4.057 ( 0.000 0.000 13.679) 13.679 4.458 ( 0.000 0.000 15.548) 15.548 4.560 ( 0.000 0.000 12.025) 12.025 5.199 ( 0.000 0.000 -9.364) 9.364 5.300 ( 0.000 0.000 3.200) 3.200 5.313 ( 0.000 0.000 -15.626) 15.626 5.472 ( 0.000 0.000 -1.618) 1.618 5.858 ( 0.000 0.000 -8.816) 8.816 5.902 ( 0.000 0.000 -23.125) 23.125 6.349 ( 0.000 0.000 -5.767) 5.767 6.456 ( 0.000 0.000 -2.063) 2.063 7.054 ( 0.000 0.000 5.487) 5.487 7.103 ( 0.000 0.000 26.776) 26.776 7.411 ( 0.000 0.000 -7.442) 7.442 7.753 ( 0.000 0.000 0.862) 0.862 7.969 ( 0.000 0.000 -6.118) 6.118 8.388 ( 0.000 0.000 -13.890) 13.890 8.845 ( 0.000 0.000 16.557) 16.557 9.764 ( 0.000 0.000 -10.150) 10.150 10.260 ( 0.000 0.000 10.934) 10.934 10.587 ( 0.000 0.000 4.423) 4.423 10.647 ( 0.000 0.000 -6.351) 6.351 11.008 ( 0.000 0.000 -8.755) 8.755 11.338 ( 0.000 0.000 -1.553) 1.553 11.341 ( 0.000 0.000 27.031) 27.031 11.871 ( 0.000 0.000 -7.826) 7.826 12.318 ( 0.000 0.000 -3.984) 3.984 12.346 ( 0.000 0.000 -9.026) 9.026 12.860 ( 0.000 0.000 -18.057) 18.057 14.202 ( 0.000 0.000 12.265) 12.265 14.650 ( 0.000 0.000 6.936) 6.936 14.691 ( 0.000 0.000 -1.865) 1.865 14.754 ( 0.000 0.000 2.521) 2.521 15.547 ( 0.000 0.000 6.233) 6.233 15.777 ( 0.000 0.000 -0.940) 0.940 16.483 ( 0.000 0.000 18.876) 18.876 16.725 ( 0.000 0.000 19.375) 19.375 17.110 ( 0.000 0.000 18.574) 18.574 17.824 ( 0.000 0.000 -18.355) 18.355 17.971 ( 0.000 0.000 -6.632) 6.632 17.989 ( 0.000 0.000 -17.828) 17.828 21.910 ( 0.000 0.000 16.717) 16.717 22.617 ( 0.000 0.000 18.068) 18.068 23.044 ( 0.000 0.000 -16.591) 16.591 23.747 ( 0.000 0.000 -13.462) 13.462 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 2.589 0.000 14.665) 14.892 1.688 ( 4.064 0.000 16.967) 17.447 1.963 ( -3.616 0.000 -8.506) 9.242 2.273 ( -3.183 0.000 -8.753) 9.314 2.283 ( -1.228 0.000 -4.522) 4.686 2.354 ( 2.413 0.000 -3.301) 4.089 2.495 ( -0.272 0.000 2.475) 2.490 2.523 ( 3.220 0.000 -5.273) 6.178 2.528 ( 2.250 0.000 -5.134) 5.605 2.917 ( 1.077 0.000 -6.516) 6.604 3.046 ( 1.640 0.000 0.670) 1.772 3.077 ( 4.908 0.000 23.815) 24.315 3.135 ( -1.869 0.000 -1.178) 2.209 3.529 ( -3.651 0.000 -1.571) 3.975 3.739 ( -10.657 0.000 19.641) 22.346 4.011 ( -4.646 0.000 12.618) 13.446 4.584 ( 2.215 0.000 12.363) 12.560 4.585 ( 10.679 0.000 12.981) 16.809 5.053 ( -12.950 0.000 -10.904) 16.929 5.211 ( -0.449 0.000 -8.528) 8.539 5.507 ( 0.931 0.000 -5.460) 5.539 5.532 ( 11.476 0.000 -6.271) 13.078 5.609 ( -13.745 0.000 -14.282) 19.822 6.083 ( 8.291 0.000 -13.000) 15.419 6.269 ( 1.063 0.000 3.332) 3.498 6.668 ( 12.424 0.000 -1.583) 12.525 6.979 ( -6.448 0.000 6.257) 8.985 7.165 ( 6.393 0.000 22.448) 23.341 7.324 ( -6.975 0.000 -6.143) 9.295 7.827 ( 6.646 0.000 2.423) 7.074 8.124 ( 13.127 0.000 -4.439) 13.857 8.351 ( -3.711 0.000 -13.011) 13.530 8.838 ( 0.675 0.000 10.351) 10.373 9.726 ( -4.235 0.000 -12.549) 13.245 10.190 ( -6.527 0.000 13.799) 15.265 10.673 ( 8.611 0.000 3.605) 9.335 10.683 ( 2.427 0.000 -6.085) 6.551 11.026 ( 1.788 0.000 -7.512) 7.722 11.335 ( -0.572 0.000 26.473) 26.479 11.346 ( 0.705 0.000 -1.720) 1.859 11.859 ( -0.947 0.000 -8.530) 8.583 12.177 ( -8.742 0.000 -2.181) 9.010 12.425 ( 2.782 0.000 -10.010) 10.389 12.818 ( -4.231 0.000 -17.319) 17.828 14.172 ( -2.680 0.000 12.521) 12.805 14.561 ( -6.532 0.000 7.093) 9.643 14.703 ( 0.595 0.000 0.820) 1.014 14.769 ( 0.769 0.000 3.036) 3.132 15.550 ( 0.142 0.000 5.874) 5.875 15.750 ( -2.739 0.000 -0.648) 2.815 16.352 ( -9.869 0.000 13.527) 16.745 16.641 ( -7.302 0.000 14.807) 16.509 17.269 ( 12.713 0.000 17.748) 21.831 17.573 ( -17.724 0.000 -17.616) 24.989 17.854 ( -13.294 0.000 -19.560) 23.650 18.116 ( 7.587 0.000 -6.966) 10.300 22.042 ( 11.505 0.000 13.248) 17.546 22.667 ( 4.954 0.000 17.471) 18.160 23.019 ( -2.593 0.000 -15.278) 15.496 23.735 ( -1.339 0.000 -12.652) 12.723 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.511 0.000 5.052) 5.078 1.777 ( 4.888 0.000 12.681) 13.590 1.854 ( -7.529 0.000 -9.717) 12.293 2.196 ( -4.178 0.000 -7.592) 8.665 2.261 ( -0.252 0.000 0.047) 0.256 2.374 ( -1.002 0.000 -3.865) 3.992 2.484 ( -1.281 0.000 4.421) 4.603 2.579 ( 2.531 0.000 -1.063) 2.746 2.612 ( 5.829 0.000 -5.696) 8.150 2.941 ( 1.623 0.000 -7.882) 8.048 3.050 ( -1.757 0.000 -1.774) 2.497 3.094 ( -1.610 0.000 -1.841) 2.446 3.260 ( 13.393 0.000 16.408) 21.181 3.438 ( -5.150 0.000 -0.148) 5.152 3.565 ( -5.698 0.000 11.658) 12.976 3.881 ( -8.389 0.000 9.055) 12.344 4.653 ( 5.434 0.000 12.404) 13.542 4.711 ( -18.706 0.000 -21.151) 28.236 4.831 ( 11.185 0.000 14.268) 18.129 5.231 ( -9.150 0.000 -15.598) 18.084 5.303 ( -4.606 0.000 -13.555) 14.316 5.499 ( -0.913 0.000 -6.514) 6.577 5.793 ( 11.929 0.000 1.954) 12.088 6.203 ( 3.710 0.000 -6.784) 7.732 6.408 ( 11.169 0.000 10.908) 15.612 6.855 ( -4.979 0.000 6.126) 7.894 6.869 ( 7.852 0.000 8.112) 11.290 7.184 ( -6.939 0.000 -3.962) 7.991 7.343 ( 10.926 0.000 10.580) 15.209 7.983 ( 8.835 0.000 5.300) 10.303 8.244 ( -6.991 0.000 -10.748) 12.822 8.388 ( 12.219 0.000 1.420) 12.301 8.940 ( 10.574 0.000 -4.398) 11.452 9.590 ( -9.356 0.000 -13.767) 16.645 10.022 ( -10.146 0.000 15.074) 18.171 10.689 ( -2.896 0.000 -5.482) 6.199 10.903 ( 13.419 0.000 1.728) 13.530 11.081 ( 4.208 0.000 -4.661) 6.279 11.327 ( 0.326 0.000 24.928) 24.930 11.359 ( 0.595 0.000 -0.985) 1.151 11.855 ( 0.666 0.000 -11.401) 11.420 12.011 ( -7.062 0.000 2.850) 7.616 12.445 ( -0.723 0.000 -11.810) 11.832 12.691 ( -8.768 0.000 -15.013) 17.386 14.126 ( -1.045 0.000 12.856) 12.899 14.449 ( -4.309 0.000 8.339) 9.386 14.705 ( -0.476 0.000 2.487) 2.532 14.775 ( -0.187 0.000 2.906) 2.912 15.540 ( -1.518 0.000 3.716) 4.015 15.685 ( -3.024 0.000 -1.382) 3.324 16.188 ( -5.947 0.000 4.695) 7.577 16.495 ( -6.522 0.000 4.367) 7.849 17.146 ( -22.253 0.000 -21.845) 31.184 17.502 ( -21.329 0.000 -22.900) 31.295 17.571 ( 14.329 0.000 16.044) 21.511 18.226 ( 3.571 0.000 -4.220) 5.528 22.275 ( 10.747 0.000 7.855) 13.311 22.805 ( 8.816 0.000 15.310) 17.667 22.941 ( -5.255 0.000 -12.215) 13.297 23.688 ( -3.611 0.000 -10.254) 10.871 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -4.302 0.000 -6.025) 7.404 1.672 ( -10.401 0.000 -10.414) 14.719 1.882 ( 5.639 0.000 5.785) 8.078 2.125 ( -2.930 0.000 -8.115) 8.628 2.306 ( 4.971 0.000 7.070) 8.642 2.325 ( -3.208 0.000 -0.357) 3.228 2.433 ( -3.566 0.000 6.047) 7.021 2.608 ( -0.199 0.000 3.413) 3.418 2.748 ( 7.712 0.000 -4.808) 9.088 2.975 ( 1.372 0.000 -8.511) 8.621 3.009 ( -1.149 0.000 -2.881) 3.101 3.084 ( 0.397 0.000 -6.566) 6.578 3.346 ( -3.549 0.000 3.154) 4.748 3.519 ( 0.741 0.000 0.214) 0.772 3.552 ( 10.961 0.000 12.643) 16.733 3.713 ( -3.648 0.000 -2.858) 4.634 4.288 ( -22.072 0.000 -20.971) 30.446 4.797 ( 1.427 0.000 5.453) 5.636 4.885 ( -11.102 0.000 -15.381) 18.969 5.074 ( 11.875 0.000 7.328) 13.954 5.353 ( 1.154 0.000 -7.544) 7.632 5.476 ( -1.750 0.000 -4.204) 4.554 5.989 ( 7.952 0.000 4.812) 9.294 6.229 ( -0.783 0.000 1.127) 1.372 6.647 ( 12.193 0.000 14.237) 18.745 6.811 ( 0.576 0.000 2.954) 3.010 6.978 ( 3.117 0.000 15.194) 15.510 7.058 ( -5.813 0.000 -2.304) 6.253 7.559 ( 10.424 0.000 1.355) 10.512 8.088 ( -8.644 0.000 -7.991) 11.771 8.172 ( 10.646 0.000 4.885) 11.713 8.591 ( 8.058 0.000 2.372) 8.400 9.173 ( 7.080 0.000 -10.342) 12.534 9.417 ( -4.087 0.000 -4.104) 5.792 9.829 ( -7.323 0.000 5.304) 9.043 10.544 ( -11.905 0.000 -6.578) 13.602 11.088 ( 4.835 0.000 3.899) 6.212 11.192 ( 3.408 0.000 4.302) 5.488 11.386 ( 2.857 0.000 1.439) 3.199 11.432 ( 13.772 0.000 12.433) 18.554 11.793 ( -7.325 0.000 -3.784) 8.245 12.003 ( 5.959 0.000 -3.847) 7.093 12.400 ( -3.832 0.000 -12.099) 12.692 12.473 ( -13.509 0.000 -11.149) 17.516 14.150 ( 3.464 0.000 11.332) 11.849 14.388 ( -2.356 0.000 8.247) 8.577 14.689 ( -0.859 0.000 2.810) 2.938 14.759 ( -1.570 0.000 2.493) 2.946 15.504 ( -0.900 0.000 -3.837) 3.941 15.648 ( -1.291 0.000 -3.047) 3.309 16.122 ( -0.958 0.000 -1.332) 1.640 16.414 ( -1.165 0.000 -6.494) 6.598 16.702 ( -21.723 0.000 -22.513) 31.285 17.067 ( -21.740 0.000 -24.414) 32.691 17.842 ( 12.743 0.000 11.668) 17.278 18.256 ( -0.582 0.000 -1.220) 1.352 22.446 ( 6.881 0.000 3.422) 7.685 22.820 ( -6.838 0.000 -8.676) 11.047 23.002 ( 10.947 0.000 11.126) 15.608 23.588 ( -6.673 0.000 -6.293) 9.173 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -1.913 0.000 -10.846) 11.013 1.496 ( -6.160 0.000 -11.249) 12.825 1.987 ( 4.793 0.000 -2.968) 5.637 2.068 ( -3.438 0.000 -8.420) 9.095 2.295 ( 1.104 0.000 5.759) 5.864 2.355 ( -4.083 0.000 7.107) 8.196 2.432 ( 7.022 0.000 8.263) 10.843 2.556 ( -4.973 0.000 6.303) 8.028 2.896 ( 6.548 0.000 -6.589) 9.290 2.977 ( -1.599 0.000 -8.515) 8.663 3.028 ( 2.758 0.000 -4.937) 5.655 3.080 ( -1.573 0.000 -6.885) 7.063 3.323 ( 2.091 0.000 6.991) 7.297 3.443 ( -9.380 0.000 10.197) 13.855 3.611 ( 9.336 0.000 -11.258) 14.626 3.886 ( -18.026 0.000 -18.877) 26.101 3.999 ( 20.824 0.000 -10.971) 23.537 4.425 ( -22.086 0.000 -15.313) 26.876 5.081 ( 12.958 0.000 2.137) 13.133 5.279 ( 8.794 0.000 2.829) 9.238 5.292 ( -7.477 0.000 -3.832) 8.402 5.414 ( -4.900 0.000 -1.048) 5.011 6.112 ( 4.855 0.000 6.546) 8.150 6.188 ( -3.018 0.000 5.829) 6.564 6.860 ( 8.957 0.000 16.230) 18.538 6.862 ( 4.050 0.000 0.195) 4.055 6.953 ( -4.994 0.000 -1.235) 5.144 6.981 ( -3.022 0.000 17.137) 17.401 7.746 ( 8.857 0.000 -3.079) 9.377 7.916 ( -8.645 0.000 -5.511) 10.252 8.405 ( 12.798 0.000 0.709) 12.817 8.624 ( -6.642 0.000 -1.230) 6.755 9.201 ( 4.461 0.000 -0.317) 4.472 9.361 ( -8.103 0.000 8.596) 11.813 9.903 ( 14.874 0.000 -11.160) 18.595 10.245 ( -17.592 0.000 -9.352) 19.923 11.157 ( 2.663 0.000 7.841) 8.281 11.197 ( -1.372 0.000 10.221) 10.312 11.482 ( 6.715 0.000 2.661) 7.223 11.634 ( -8.315 0.000 1.248) 8.408 11.790 ( 19.861 0.000 -0.318) 19.864 12.151 ( 8.036 0.000 -8.822) 11.933 12.164 ( -17.726 0.000 -6.226) 18.787 12.297 ( -6.528 0.000 -11.059) 12.842 14.243 ( 5.287 0.000 9.431) 10.812 14.334 ( -3.639 0.000 8.556) 9.298 14.686 ( 0.798 0.000 2.344) 2.477 14.719 ( -2.224 0.000 2.261) 3.172 15.532 ( 3.502 0.000 -9.605) 10.223 15.607 ( -3.210 0.000 -7.224) 7.905 16.155 ( 4.811 0.000 -7.356) 8.790 16.338 ( -14.308 0.000 -16.609) 21.922 16.467 ( 6.917 0.000 -15.624) 17.087 16.691 ( -15.767 0.000 -21.981) 27.051 18.061 ( 9.278 0.000 6.663) 11.422 18.201 ( -4.989 0.000 2.306) 5.496 22.565 ( 5.764 0.000 -0.844) 5.826 22.685 ( -6.594 0.000 -4.941) 8.240 23.222 ( 11.143 0.000 5.318) 12.347 23.427 ( -9.527 0.000 -0.895) 9.569 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 6.667 13.193) 14.782 1.698 ( 0.000 5.123 15.898) 16.703 2.000 ( 0.000 0.226 -3.929) 3.936 2.215 ( 0.000 -5.761 -3.937) 6.978 2.248 ( 0.000 -4.993 -10.872) 11.964 2.374 ( 0.000 3.865 -3.991) 5.556 2.428 ( 0.000 -4.285 -0.415) 4.305 2.464 ( 0.000 -1.457 -6.018) 6.192 2.526 ( 0.000 0.247 -3.828) 3.836 2.794 ( 0.000 -8.548 -6.094) 10.498 2.913 ( 0.000 -3.998 8.569) 9.456 3.267 ( 0.000 1.904 -4.223) 4.632 3.336 ( 0.000 20.329 18.366) 27.397 3.654 ( 0.000 13.008 0.902) 13.039 3.951 ( 0.000 5.816 16.920) 17.891 4.067 ( 0.000 2.616 17.745) 17.937 4.435 ( 0.000 -2.520 15.791) 15.990 4.594 ( 0.000 3.506 12.816) 13.287 5.170 ( 0.000 -3.341 -5.143) 6.133 5.282 ( 0.000 -1.130 -0.254) 1.158 5.304 ( 0.000 -0.604 -14.245) 14.258 5.581 ( 0.000 7.841 -8.434) 11.516 5.781 ( 0.000 -6.611 -7.140) 9.731 5.897 ( 0.000 -0.392 -23.254) 23.257 6.416 ( 0.000 4.940 -2.793) 5.674 6.477 ( 0.000 1.446 0.020) 1.446 7.035 ( 0.000 -1.185 1.936) 2.270 7.062 ( 0.000 -1.955 19.370) 19.468 7.393 ( 0.000 -2.187 -5.456) 5.878 7.810 ( 0.000 4.747 1.172) 4.890 7.876 ( 0.000 -8.659 -5.022) 10.010 8.312 ( 0.000 -5.794 -11.717) 13.072 8.929 ( 0.000 7.529 17.377) 18.938 9.758 ( 0.000 -1.826 -2.049) 2.745 10.213 ( 0.000 -2.318 8.231) 8.551 10.592 ( 0.000 -4.831 -5.616) 7.408 10.738 ( 0.000 12.207 -0.553) 12.219 10.999 ( 0.000 -0.468 -7.423) 7.438 11.297 ( 0.000 -3.609 -1.907) 4.081 11.411 ( 0.000 5.644 23.739) 24.400 11.933 ( 0.000 4.395 -10.325) 11.221 12.338 ( 0.000 1.176 -3.501) 3.694 12.355 ( 0.000 1.877 -5.845) 6.139 12.851 ( 0.000 -1.237 -15.316) 15.366 14.175 ( 0.000 -1.602 12.220) 12.325 14.612 ( 0.000 -2.492 8.451) 8.810 14.634 ( 0.000 -5.251 -0.913) 5.330 14.722 ( 0.000 -2.541 2.888) 3.847 15.772 ( 0.000 20.101 5.114) 20.742 15.982 ( 0.000 16.402 -1.448) 16.466 16.523 ( 0.000 3.998 16.813) 17.282 16.703 ( 0.000 -1.986 19.539) 19.640 17.101 ( 0.000 -0.993 16.861) 16.890 17.837 ( 0.000 1.205 -18.217) 18.257 17.874 ( 0.000 -9.180 -5.504) 10.703 17.979 ( 0.000 -0.985 -17.880) 17.907 21.857 ( 0.000 -3.818 18.151) 18.548 22.502 ( 0.000 -10.205 17.518) 20.274 23.053 ( 0.000 0.863 -16.634) 16.657 23.652 ( 0.000 -8.419 -13.980) 16.319 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 3.328 6.888 10.471) 12.968 1.749 ( 4.312 5.279 13.508) 15.131 1.977 ( -2.146 1.093 -4.240) 4.876 2.206 ( -1.275 -5.488 -3.670) 6.724 2.228 ( -2.023 -3.639 -7.823) 8.862 2.358 ( -0.652 -0.182 -5.340) 5.383 2.443 ( -0.233 -1.342 -0.915) 1.641 2.466 ( 0.403 -4.203 -3.155) 5.271 2.570 ( 4.247 1.159 -4.633) 6.391 2.795 ( 0.415 -8.794 -7.671) 11.677 2.941 ( 2.720 -4.376 7.375) 8.996 3.257 ( -1.051 1.788 -4.323) 4.795 3.369 ( 2.646 19.802 15.756) 25.443 3.628 ( -2.596 13.462 3.794) 14.225 3.819 ( -9.585 7.782 14.775) 19.254 4.014 ( -5.183 1.168 15.100) 16.007 4.495 ( 4.089 -3.815 15.126) 16.126 4.683 ( 8.186 4.921 10.201) 13.975 5.084 ( -8.103 0.767 -9.385) 12.423 5.215 ( -0.719 0.775 -8.253) 8.320 5.495 ( 0.152 -2.835 -12.319) 12.642 5.503 ( 1.074 -2.487 -3.778) 4.649 5.621 ( -6.933 2.347 -10.904) 13.133 6.000 ( 4.831 -5.180 -10.479) 12.648 6.383 ( 3.195 7.112 0.867) 7.844 6.652 ( 10.252 -1.678 1.308) 10.470 6.940 ( -4.488 -2.153 7.678) 9.150 7.188 ( 5.409 0.935 3.982) 6.781 7.328 ( -1.875 0.959 3.026) 3.687 7.863 ( 5.431 3.093 1.814) 6.508 8.043 ( 12.869 -7.453 -5.467) 15.845 8.306 ( -0.024 -3.365 -10.109) 10.654 8.910 ( -0.815 6.681 12.542) 14.234 9.759 ( -0.761 0.871 -5.769) 5.884 10.124 ( -8.335 -3.771 11.668) 14.826 10.612 ( 1.697 -5.131 -4.510) 7.039 10.799 ( 5.600 9.322 -0.915) 10.913 11.016 ( 1.877 -0.339 -6.695) 6.962 11.307 ( 0.948 -3.273 -1.104) 3.582 11.415 ( 0.356 6.191 22.544) 23.381 11.898 ( -3.304 2.494 -10.971) 11.727 12.217 ( -7.390 3.914 -1.656) 8.525 12.416 ( 1.467 -0.779 -7.031) 7.224 12.808 ( -4.263 -1.313 -14.933) 15.585 14.158 ( -1.412 -0.509 12.069) 12.162 14.542 ( -5.242 -1.473 6.774) 8.691 14.652 ( 1.026 -4.573 1.963) 5.081 14.733 ( 0.510 -2.913 3.630) 4.682 15.770 ( -0.453 19.461 5.061) 20.113 15.942 ( -3.827 15.744 -0.149) 16.203 16.411 ( -8.212 5.909 11.034) 14.970 16.616 ( -7.608 -2.256 15.179) 17.128 17.246 ( 11.634 -2.285 16.214) 20.086 17.571 ( -16.864 -0.662 -16.285) 23.453 17.843 ( -13.248 -0.990 -19.566) 23.650 18.035 ( 6.655 -7.329 -7.278) 12.287 21.984 ( 11.177 -4.383 15.111) 19.299 22.555 ( 5.288 -9.849 16.969) 20.320 23.028 ( -2.584 0.868 -15.356) 15.596 23.639 ( -1.400 -8.493 -13.115) 15.687 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 1.247 7.596 2.464) 8.082 1.834 ( 3.651 5.085 5.867) 8.579 1.922 ( -3.259 5.191 -1.588) 6.332 2.162 ( -3.073 -3.079 -7.641) 8.792 2.186 ( -1.078 -4.200 2.566) 5.038 2.346 ( -1.107 -3.622 -4.089) 5.573 2.413 ( -1.994 -3.013 -2.242) 4.252 2.477 ( 0.745 -5.845 1.051) 5.985 2.662 ( 4.357 0.826 -2.950) 5.326 2.828 ( 3.235 -7.507 -9.523) 12.550 3.001 ( 2.148 -4.055 2.588) 5.268 3.229 ( -1.628 0.382 -4.921) 5.197 3.369 ( -3.382 9.913 8.704) 13.619 3.618 ( 4.052 19.627 8.395) 21.728 3.690 ( -3.217 13.214 6.255) 14.970 3.868 ( -9.189 -1.031 10.299) 13.841 4.596 ( 5.710 -1.845 12.446) 13.817 4.764 ( -10.751 3.168 -18.836) 21.918 4.918 ( 2.074 4.886 8.268) 9.825 5.213 ( -15.333 -4.401 -16.797) 23.165 5.271 ( 5.222 0.694 -5.962) 7.956 5.540 ( -1.815 3.387 -7.075) 8.051 5.738 ( 11.143 -5.105 2.102) 12.435 6.082 ( 3.399 -7.881 -1.670) 8.743 6.507 ( 7.864 5.207 3.502) 10.061 6.830 ( 7.652 -3.414 8.296) 11.791 6.881 ( -1.199 2.039 6.813) 7.212 7.136 ( -5.859 -3.271 -3.896) 7.759 7.480 ( 11.881 11.162 7.804) 18.073 8.004 ( 8.553 2.095 3.441) 9.455 8.183 ( -0.629 -4.920 -7.363) 8.878 8.405 ( 10.342 0.855 0.118) 10.378 8.966 ( 8.126 2.781 -1.591) 8.735 9.683 ( -7.823 7.582 -12.637) 16.684 9.927 ( -10.549 -8.071 16.842) 21.449 10.617 ( -2.645 -6.263 -4.292) 8.041 10.952 ( 9.870 4.168 -0.048) 10.714 11.081 ( 5.097 0.513 -4.818) 7.032 11.336 ( 2.174 -2.021 1.150) 3.183 11.417 ( -0.559 7.272 19.900) 21.195 11.837 ( -1.667 -2.072 -12.314) 12.598 12.073 ( -6.921 5.614 0.863) 8.954 12.404 ( -2.715 -3.618 -8.118) 9.294 12.687 ( -7.953 -0.817 -13.808) 15.956 14.139 ( 0.109 1.613 11.663) 11.775 14.448 ( -3.764 0.002 7.474) 8.368 14.664 ( -0.006 -3.809 2.948) 4.817 14.735 ( -0.349 -3.334 3.726) 5.012 15.729 ( -4.099 15.421 3.292) 16.293 15.870 ( -2.262 16.759 -0.453) 16.917 16.280 ( -4.671 9.138 3.610) 10.879 16.465 ( -6.539 -2.659 4.221) 8.225 17.160 ( -21.153 1.110 -20.875) 29.740 17.493 ( -21.217 -0.823 -22.822) 31.172 17.526 ( 12.758 -4.421 14.412) 19.749 18.127 ( 2.868 -9.257 -4.223) 10.571 22.218 ( 11.317 -4.398 9.820) 15.616 22.699 ( 9.033 -9.195 14.796) 19.623 22.951 ( -5.147 0.914 -12.207) 13.279 23.591 ( -3.669 -8.630 -10.613) 14.162 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -3.935 8.532 -4.405) 10.377 1.776 ( -8.200 8.164 -6.977) 13.512 1.950 ( 4.975 5.878 3.293) 8.375 2.104 ( -2.564 -1.513 -7.464) 8.036 2.207 ( 1.772 -5.538 6.897) 9.021 2.313 ( -1.260 -3.300 1.231) 3.740 2.391 ( 0.314 -2.484 1.932) 3.162 2.511 ( 2.802 -7.576 1.870) 8.291 2.725 ( 2.126 -0.783 -0.146) 2.270 2.910 ( 4.146 -5.144 -9.895) 11.898 2.979 ( -3.440 -3.239 -0.106) 4.726 3.196 ( -2.170 -0.144 -5.192) 5.629 3.345 ( 2.094 1.966 -0.140) 2.876 3.608 ( -4.949 14.676 0.918) 15.515 3.699 ( -4.721 0.847 -1.890) 5.155 3.803 ( 11.184 17.717 7.091) 22.119 4.349 ( -21.593 5.054 -21.428) 30.837 4.791 ( -13.936 -1.871 -11.832) 18.377 4.826 ( 8.227 -2.071 3.843) 9.314 5.135 ( 6.606 2.909 4.320) 8.412 5.367 ( 3.603 2.385 -3.252) 5.408 5.524 ( -0.619 3.475 -3.871) 5.239 5.920 ( 7.332 -6.346 4.587) 10.727 6.120 ( 0.281 -8.586 2.759) 9.023 6.662 ( 7.686 1.180 6.094) 9.880 6.895 ( 2.517 5.085 8.216) 9.985 6.950 ( 4.064 -2.422 12.871) 13.713 7.027 ( -4.897 -2.140 -1.571) 5.570 7.698 ( 9.801 12.576 2.829) 16.193 8.103 ( -4.030 1.799 -6.548) 7.897 8.212 ( 10.190 3.095 5.903) 12.176 8.590 ( 7.748 -0.219 3.352) 8.445 9.197 ( 11.205 1.287 -9.486) 14.738 9.468 ( -11.500 5.435 -3.251) 13.129 9.756 ( -5.162 -6.536 3.959) 9.222 10.478 ( -11.494 -6.125 -5.809) 14.261 11.117 ( 5.694 1.588 1.732) 6.160 11.236 ( 8.177 3.996 1.092) 9.166 11.373 ( 0.458 0.654 3.025) 3.128 11.449 ( 8.380 1.163 11.488) 14.267 11.826 ( -2.343 1.261 -8.048) 8.476 11.984 ( 0.504 -0.388 -1.786) 1.896 12.306 ( -7.401 -6.556 -7.755) 12.566 12.502 ( -10.561 0.548 -11.902) 15.921 14.175 ( 3.500 2.438 10.361) 11.205 14.395 ( -2.020 0.725 7.636) 7.932 14.654 ( -0.723 -3.211 3.151) 4.557 14.718 ( -1.431 -3.471 3.153) 4.903 15.657 ( -1.695 12.353 -4.695) 13.323 15.844 ( -1.341 17.781 -2.702) 18.035 16.223 ( -1.315 9.209 0.009) 9.302 16.391 ( -0.611 -1.409 -7.297) 7.457 16.734 ( -20.815 2.800 -21.606) 30.132 17.059 ( -21.703 -0.582 -24.420) 32.676 17.770 ( 11.551 -6.895 10.539) 17.089 18.149 ( -0.727 -10.121 -1.316) 10.232 22.407 ( 8.045 -2.959 4.870) 9.858 22.823 ( -5.967 0.183 -7.521) 9.602 22.906 ( 10.027 -8.135 9.684) 16.140 23.490 ( -6.713 -8.732 -6.586) 12.833 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -1.332 10.120 -6.763) 12.245 1.627 ( -5.501 10.257 -7.123) 13.646 2.029 ( 2.531 3.357 -5.084) 6.597 2.066 ( -1.595 -0.295 -7.798) 7.965 2.227 ( 1.840 -4.176 8.210) 9.393 2.281 ( -2.753 -4.121 6.121) 7.876 2.461 ( 5.743 0.271 5.829) 8.187 2.544 ( -1.242 -3.920 4.679) 6.230 2.773 ( 3.837 -5.248 0.118) 6.502 2.870 ( -5.178 -6.213 -2.375) 8.429 3.020 ( 4.919 -4.003 -5.984) 8.719 3.123 ( -5.197 -2.097 -3.616) 6.669 3.423 ( 4.655 5.510 -6.028) 9.400 3.503 ( -4.235 9.284 -3.104) 10.666 3.709 ( 5.991 5.626 -10.232) 13.124 3.948 ( -17.214 5.316 -17.691) 25.250 4.077 ( 15.654 9.957 -5.719) 19.414 4.423 ( -18.912 1.596 -13.947) 23.552 5.067 ( 11.436 -0.475 3.759) 12.048 5.210 ( -1.613 -1.699 0.614) 2.422 5.421 ( 3.149 6.554 0.461) 7.286 5.490 ( -3.026 5.225 -1.033) 6.126 6.032 ( 4.311 -7.282 6.124) 10.446 6.097 ( -2.352 -7.962 5.557) 9.990 6.803 ( 6.566 -1.030 5.552) 8.660 6.918 ( -5.011 -1.573 4.058) 6.637 6.960 ( 3.137 3.761 10.277) 11.385 7.000 ( -0.281 0.103 10.887) 10.892 7.863 ( 7.290 10.653 -0.189) 12.910 7.995 ( -6.209 7.159 -2.749) 9.867 8.449 ( 12.889 3.533 2.796) 13.654 8.648 ( -4.363 1.397 1.887) 4.955 9.236 ( 0.102 3.985 -3.629) 5.391 9.333 ( -6.444 -2.170 6.734) 9.570 9.854 ( 14.780 -4.773 -11.214) 19.157 10.188 ( -17.092 -5.442 -9.016) 20.076 11.202 ( 3.423 3.109 6.243) 7.768 11.260 ( -2.491 5.714 9.937) 11.730 11.480 ( 8.440 0.849 0.140) 8.483 11.623 ( -1.730 -0.436 -1.687) 2.456 11.801 ( 9.825 0.805 0.984) 9.907 12.053 ( -4.836 -7.767 -6.749) 11.370 12.141 ( -0.428 -2.780 -6.884) 7.437 12.296 ( -9.957 -0.767 -10.470) 14.469 14.263 ( 4.915 1.991 8.915) 10.372 14.347 ( -3.288 1.328 8.149) 8.887 14.651 ( 0.724 -3.103 2.725) 4.192 14.681 ( -2.045 -3.263 2.750) 4.732 15.687 ( 4.500 12.944 -11.081) 17.623 15.790 ( -4.542 15.916 -8.359) 18.543 16.238 ( 3.474 7.506 -5.138) 9.737 16.388 ( -11.650 4.277 -14.376) 18.992 16.458 ( 6.101 0.371 -16.107) 17.227 16.683 ( -15.821 -0.333 -22.042) 27.134 17.968 ( 8.429 -8.778 5.932) 13.539 18.097 ( -4.599 -9.913 1.947) 11.099 22.549 ( 6.813 -1.062 0.014) 6.896 22.685 ( -7.136 0.294 -4.543) 8.465 23.123 ( 11.111 -8.745 5.002) 14.998 23.329 ( -9.537 -8.775 -1.179) 13.013 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.000 6.179 8.161) 10.237 1.824 ( 0.000 4.863 8.308) 9.627 2.024 ( 0.000 3.108 4.696) 5.631 2.110 ( 0.000 -3.254 -1.079) 3.429 2.162 ( 0.000 -2.996 -7.335) 7.923 2.354 ( 0.000 -5.282 -3.150) 6.150 2.355 ( 0.000 -1.346 -8.097) 8.208 2.480 ( 0.000 0.593 -11.018) 11.034 2.522 ( 0.000 -0.419 -4.476) 4.495 2.598 ( 0.000 -8.408 -1.286) 8.506 2.858 ( 0.000 0.444 -0.229) 0.499 3.158 ( 0.000 -8.977 -5.174) 10.361 3.828 ( 0.000 22.215 20.853) 30.468 4.024 ( 0.000 14.829 3.932) 15.342 4.081 ( 0.000 6.497 9.485) 11.497 4.216 ( 0.000 11.366 21.029) 23.904 4.345 ( 0.000 -5.851 15.419) 16.492 4.702 ( 0.000 4.603 14.299) 15.022 5.055 ( 0.000 -4.672 3.692) 5.955 5.274 ( 0.000 0.391 -8.119) 8.128 5.288 ( 0.000 -1.065 -11.071) 11.123 5.557 ( 0.000 -12.162 -8.172) 14.652 5.759 ( 0.000 5.786 -12.930) 14.166 5.885 ( 0.000 -0.826 -22.640) 22.655 6.489 ( 0.000 -0.368 4.549) 4.564 6.490 ( 0.000 1.097 3.733) 3.891 7.046 ( 0.000 3.058 -6.775) 7.433 7.094 ( 0.000 5.317 4.832) 7.184 7.317 ( 0.000 -4.398 -2.382) 5.002 7.626 ( 0.000 -13.671 -1.135) 13.718 7.929 ( 0.000 6.000 -0.138) 6.001 8.184 ( 0.000 -5.958 -7.468) 9.553 9.143 ( 0.000 11.864 18.651) 22.105 9.643 ( 0.000 -8.925 12.192) 15.110 10.216 ( 0.000 2.758 1.139) 2.984 10.461 ( 0.000 -6.967 -4.028) 8.047 11.008 ( 0.000 1.646 -5.395) 5.640 11.032 ( 0.000 13.062 -5.365) 14.121 11.209 ( 0.000 -3.051 -3.836) 4.901 11.499 ( 0.000 -0.029 9.382) 9.382 12.022 ( 0.000 5.124 -5.432) 7.467 12.324 ( 0.000 -3.451 -0.056) 3.452 12.466 ( 0.000 8.078 -2.395) 8.425 12.787 ( 0.000 -4.900 -9.365) 10.570 14.181 ( 0.000 2.960 9.248) 9.710 14.482 ( 0.000 -8.453 1.161) 8.532 14.578 ( 0.000 -0.427 8.519) 8.530 14.658 ( 0.000 -3.225 4.181) 5.280 16.324 ( 0.000 12.818 8.461) 15.359 16.326 ( 0.000 28.671 3.286) 28.859 16.650 ( 0.000 -1.938 19.513) 19.609 16.669 ( 0.000 9.811 8.307) 12.856 17.057 ( 0.000 -3.375 11.748) 12.223 17.573 ( 0.000 -19.220 -2.995) 19.452 17.872 ( 0.000 1.877 -17.989) 18.087 17.950 ( 0.000 -1.596 -17.943) 18.014 21.815 ( 0.000 1.307 19.142) 19.186 22.225 ( 0.000 -14.542 17.223) 22.541 23.093 ( 0.000 3.334 -17.044) 17.367 23.428 ( 0.000 -11.379 -15.353) 19.110 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 2.468 5.105 7.047) 9.045 1.870 ( 3.359 3.282 4.800) 6.715 2.018 ( -0.057 4.310 3.955) 5.850 2.114 ( 0.159 -2.533 -1.773) 3.096 2.177 ( 1.309 -0.692 -2.945) 3.296 2.339 ( -1.435 -1.144 -8.051) 8.257 2.367 ( -0.175 -2.747 -5.003) 5.710 2.445 ( -3.271 -0.083 -5.825) 6.681 2.551 ( 2.331 -3.799 -6.857) 8.178 2.586 ( 0.499 -10.028 -0.593) 10.058 2.882 ( 2.302 0.584 -1.483) 2.800 3.153 ( -0.732 -8.179 -4.931) 9.578 3.848 ( -8.190 17.536 11.550) 22.539 3.892 ( 0.182 12.798 20.044) 23.782 4.025 ( -6.898 3.138 9.263) 11.968 4.191 ( -0.346 18.780 4.798) 19.387 4.426 ( 6.183 -1.802 17.969) 19.088 4.789 ( 6.901 3.552 11.250) 13.668 5.034 ( -2.433 -3.753 -3.921) 5.948 5.252 ( 0.402 2.491 -8.580) 8.943 5.384 ( -15.067 -8.596 -14.031) 22.311 5.408 ( 8.780 -4.761 -3.102) 10.458 5.711 ( -4.326 5.072 -11.309) 13.128 5.898 ( 0.736 -4.346 -11.987) 12.772 6.494 ( 3.205 2.899 2.795) 5.146 6.595 ( 6.887 -3.309 5.071) 9.170 6.943 ( -3.073 2.950 2.903) 5.155 7.158 ( -4.366 -3.813 -8.606) 10.376 7.402 ( 14.705 6.177 5.616) 16.909 7.807 ( 13.601 -10.803 -4.961) 18.064 7.983 ( 5.317 5.164 0.303) 7.418 8.223 ( 4.496 -4.581 -6.254) 8.961 9.113 ( -2.535 11.893 16.224) 20.276 9.656 ( 0.797 -10.243 12.551) 16.220 10.139 ( -7.498 5.175 0.059) 9.110 10.467 ( 0.176 -8.011 -3.710) 8.830 10.994 ( 0.069 4.700 -3.673) 5.965 11.068 ( 2.577 7.320 -5.714) 9.637 11.227 ( 1.838 -2.175 -3.743) 4.703 11.513 ( 1.471 -0.048 8.180) 8.311 11.956 ( -6.335 4.937 -4.394) 9.155 12.284 ( -3.895 -2.127 -0.555) 4.473 12.437 ( -3.069 5.824 -2.131) 6.919 12.746 ( -4.051 -4.742 -9.936) 11.731 14.187 ( 0.628 3.746 8.835) 9.617 14.478 ( -0.883 -6.387 1.442) 6.607 14.563 ( -0.671 -1.123 8.338) 8.440 14.661 ( -0.036 -3.670 4.687) 5.953 16.215 ( -8.241 14.130 9.595) 18.964 16.357 ( 0.642 24.660 2.199) 24.766 16.553 ( -7.678 -0.851 13.490) 15.546 16.633 ( -2.842 13.805 5.652) 15.186 17.161 ( 8.415 -5.946 11.616) 15.527 17.479 ( -9.659 -11.070 -8.573) 17.010 17.813 ( -12.014 -1.775 -18.999) 22.548 17.860 ( -1.985 -6.147 -13.238) 14.730 21.923 ( 9.899 0.224 17.235) 19.877 22.289 ( 6.289 -13.831 16.700) 22.577 23.069 ( -2.459 3.451 -15.825) 16.382 23.413 ( -1.653 -11.564 -14.342) 18.498 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 2.231 4.256 3.087) 5.711 1.920 ( 1.789 0.419 1.612) 2.444 2.039 ( 1.995 5.493 0.537) 5.869 2.113 ( -0.364 -0.583 -2.881) 2.962 2.178 ( -2.157 4.453 5.947) 7.736 2.301 ( -3.122 0.474 -10.885) 11.334 2.323 ( -2.260 -4.918 0.305) 5.421 2.383 ( -1.661 -2.857 -2.716) 4.278 2.598 ( 2.450 -6.679 -8.056) 10.748 2.650 ( 4.783 -9.733 -1.136) 10.904 2.940 ( 3.111 0.003 -2.424) 3.944 3.122 ( -2.439 -6.446 -4.091) 8.015 3.601 ( -11.439 8.487 7.692) 16.188 3.826 ( -11.282 -2.694 8.995) 14.679 4.031 ( 8.216 21.127 11.388) 25.368 4.192 ( -0.325 25.331 -1.562) 25.381 4.579 ( 9.409 -0.724 13.921) 16.818 4.840 ( -10.043 3.743 -16.514) 19.687 4.939 ( -6.201 -3.947 -1.352) 7.474 5.085 ( -6.471 -6.874 -9.119) 13.126 5.322 ( 5.368 3.628 -1.037) 6.561 5.591 ( 8.901 -7.936 1.289) 11.995 5.633 ( -2.531 5.162 -6.411) 8.611 5.910 ( 0.500 -7.983 -1.964) 8.236 6.587 ( 5.650 2.796 2.349) 6.728 6.740 ( 7.520 -4.600 7.152) 11.352 6.929 ( 1.011 2.454 5.266) 5.897 7.062 ( -4.353 -3.541 -2.339) 6.079 7.738 ( 17.051 10.982 2.741) 20.466 8.039 ( 9.160 -3.877 -5.185) 11.217 8.113 ( 7.347 4.214 2.084) 8.722 8.389 ( 11.564 -3.005 -1.863) 12.093 9.084 ( 1.185 8.711 6.453) 10.906 9.638 ( -3.580 -13.325 13.726) 19.462 9.942 ( -11.869 11.026 -4.696) 16.867 10.439 ( -3.980 -10.205 -3.565) 11.519 11.036 ( 4.509 3.126 -1.735) 5.754 11.144 ( 5.851 4.050 -4.653) 8.502 11.280 ( 3.659 -0.579 -2.861) 4.681 11.563 ( 3.619 1.412 7.255) 8.229 11.801 ( -8.284 2.932 -4.528) 9.885 12.180 ( -6.606 -1.240 -0.957) 6.789 12.342 ( -6.550 2.499 -2.235) 7.358 12.636 ( -7.120 -4.382 -10.683) 13.565 14.209 ( 1.698 5.004 8.242) 9.791 14.446 ( -1.735 -1.184 3.913) 4.441 14.563 ( 0.257 -4.043 6.255) 7.452 14.652 ( -0.833 -4.184 4.889) 6.488 16.037 ( -8.492 11.576 4.966) 15.191 16.344 ( -3.186 10.539 1.191) 11.074 16.405 ( -5.056 12.872 5.063) 14.727 16.601 ( -0.463 19.241 -0.068) 19.247 17.167 ( -16.349 -1.765 -16.383) 23.213 17.371 ( 7.466 -10.307 9.182) 15.694 17.478 ( -20.109 -0.070 -22.154) 29.919 17.842 ( -0.598 -16.547 -5.925) 17.586 22.148 ( 11.834 -0.766 12.927) 17.542 22.454 ( 9.964 -12.586 14.573) 21.681 22.995 ( -4.987 3.766 -12.725) 14.177 23.359 ( -3.942 -11.957 -11.547) 17.083 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.672 6.899 0.455) 6.946 1.930 ( -2.179 4.872 -1.068) 5.443 2.057 ( -0.931 2.170 -1.059) 2.588 2.091 ( -0.249 0.461 -3.353) 3.394 2.156 ( 1.043 2.563 5.630) 6.273 2.242 ( -1.993 -2.806 -4.275) 5.488 2.322 ( 1.237 -4.013 2.981) 5.149 2.380 ( 1.644 -2.837 0.920) 3.405 2.636 ( 1.471 -7.021 -2.862) 7.723 2.758 ( 6.262 -8.786 -6.215) 12.451 2.950 ( -3.727 0.656 1.619) 4.116 3.076 ( -1.696 -5.728 -4.312) 7.367 3.463 ( -1.659 5.511 -3.882) 6.942 3.635 ( -5.974 -2.758 -0.734) 6.620 4.035 ( -9.325 18.056 -8.324) 21.960 4.279 ( 9.407 23.788 4.694) 26.008 4.444 ( -23.259 1.192 -21.486) 31.687 4.727 ( -2.664 -0.117 -8.183) 8.606 4.854 ( 6.858 2.471 5.239) 8.977 5.137 ( 4.655 -3.471 1.729) 6.058 5.434 ( 5.469 3.406 2.660) 6.970 5.613 ( -0.252 4.768 -2.314) 5.306 5.737 ( 5.836 -9.966 3.689) 12.124 5.913 ( -0.438 -9.991 2.133) 10.226 6.703 ( 6.018 2.832 4.220) 7.876 6.876 ( 5.892 -4.166 9.352) 11.813 6.956 ( 0.860 0.775 5.372) 5.495 6.994 ( -2.348 -1.047 3.246) 4.140 8.009 ( 9.768 12.743 4.185) 16.593 8.171 ( 4.814 3.710 1.110) 6.178 8.292 ( 10.474 5.851 4.000) 12.647 8.576 ( 6.456 -1.398 4.719) 8.118 9.210 ( 10.575 0.752 -5.647) 12.012 9.510 ( -8.023 -9.609 9.413) 15.663 9.713 ( -10.103 10.695 -10.613) 18.141 10.288 ( -11.439 -11.535 -5.414) 17.123 11.153 ( 6.552 2.464 0.497) 7.018 11.318 ( 11.522 0.511 -3.470) 12.044 11.374 ( 5.703 1.899 -2.926) 6.685 11.578 ( -4.456 11.154 13.203) 17.849 11.743 ( 5.522 -8.312 -11.859) 15.499 12.029 ( -8.518 -1.103 -0.275) 8.594 12.186 ( -9.053 -0.131 -2.818) 9.482 12.465 ( -10.300 -4.281 -10.132) 15.069 14.257 ( 3.235 5.164 7.789) 9.890 14.423 ( -0.843 1.535 5.591) 5.859 14.561 ( -0.399 -4.864 4.796) 6.843 14.629 ( -1.547 -4.546 4.420) 6.526 15.926 ( -1.979 11.400 -4.844) 12.543 16.269 ( -1.921 -3.650 -4.226) 5.906 16.338 ( -4.654 23.810 -4.266) 24.633 16.604 ( 0.325 20.018 -2.786) 20.214 16.805 ( -17.553 3.676 -18.377) 25.677 17.072 ( -19.428 3.668 -22.148) 29.689 17.539 ( 8.114 -15.038 7.167) 18.529 17.824 ( -1.513 -20.098 -2.124) 20.267 22.365 ( 10.140 0.137 7.579) 12.660 22.665 ( 11.164 -11.852 10.273) 19.252 22.876 ( -7.042 3.856 -8.594) 11.761 23.254 ( -6.849 -12.257 -7.319) 15.834 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.409 10.381 -0.128) 10.390 1.855 ( -3.643 10.597 -0.335) 11.211 2.059 ( 0.795 -0.152 -5.761) 5.817 2.080 ( -1.119 0.487 -5.403) 5.539 2.181 ( 1.515 0.514 6.629) 6.819 2.215 ( -1.522 -2.554 1.734) 3.442 2.368 ( 3.512 -9.896 4.462) 11.410 2.416 ( -0.051 -5.897 4.818) 7.615 2.688 ( 4.801 -1.969 -0.539) 5.217 2.818 ( -7.111 1.459 1.050) 7.335 2.893 ( 6.040 -7.099 -3.014) 9.796 3.012 ( -5.240 -6.171 -1.995) 8.338 3.533 ( 7.981 4.753 -14.214) 16.980 3.650 ( 5.051 1.728 -13.862) 14.854 3.805 ( -9.042 4.941 -17.052) 19.923 4.004 ( -20.016 -1.564 -20.304) 28.554 4.462 ( 8.513 22.639 1.134) 24.213 4.610 ( -6.760 16.224 -5.087) 18.298 5.055 ( 9.450 -1.913 3.866) 10.388 5.172 ( -1.972 -3.633 0.762) 4.203 5.531 ( 4.354 3.841 2.643) 6.380 5.595 ( -1.994 4.517 0.399) 4.953 5.827 ( 3.640 -10.923 5.043) 12.570 5.886 ( -2.306 -10.668 4.346) 11.748 6.817 ( 5.391 2.254 5.678) 8.148 6.908 ( -3.579 0.726 5.851) 6.897 6.969 ( 2.462 -2.846 7.819) 8.677 6.990 ( 0.191 -0.881 8.925) 8.971 8.142 ( 4.812 13.016 5.171) 14.809 8.208 ( -1.333 12.620 6.267) 14.153 8.502 ( 10.384 -0.267 8.904) 13.682 8.639 ( -1.578 -2.805 7.610) 8.262 9.310 ( 0.756 1.657 -0.711) 1.955 9.401 ( -6.317 10.978 -9.762) 15.991 9.698 ( 12.344 -9.253 -11.555) 19.275 10.008 ( -16.244 -11.395 -9.060) 21.813 11.277 ( 6.082 4.438 3.401) 8.262 11.390 ( -4.745 5.973 3.755) 8.503 11.563 ( 10.139 -1.751 -5.626) 11.727 11.578 ( 5.854 3.216 1.476) 6.840 11.856 ( -2.839 -8.938 -3.118) 9.883 11.874 ( -3.521 6.021 -2.703) 7.481 12.052 ( 1.425 -5.062 -4.278) 6.779 12.239 ( -12.190 -4.902 -8.615) 15.711 14.331 ( 3.928 4.277 7.337) 9.357 14.396 ( -2.341 3.226 6.852) 7.927 14.562 ( 0.835 -5.064 3.799) 6.385 14.592 ( -1.993 -4.771 3.886) 6.468 15.976 ( 7.039 12.100 -13.701) 19.587 16.172 ( -11.149 16.108 -14.976) 24.659 16.308 ( 5.723 -3.328 -10.969) 12.812 16.484 ( -11.368 1.283 -13.637) 17.800 16.664 ( 2.348 21.039 -5.983) 21.999 16.775 ( -9.877 14.071 -13.804) 22.047 17.680 ( 6.078 -18.390 3.755) 19.729 17.775 ( -3.616 -20.237 0.733) 20.570 22.551 ( 8.935 2.026 1.795) 9.336 22.719 ( -8.174 3.486 -3.574) 9.579 22.889 ( 10.896 -12.048 4.191) 16.777 23.092 ( -9.498 -12.288 -1.877) 15.644 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 -3.044 4.440) 5.384 1.839 ( 0.000 3.044 4.440) 5.384 2.083 ( 0.000 -0.244 1.580) 1.599 2.083 ( 0.000 0.244 1.580) 1.599 2.197 ( 0.000 -8.093 3.378) 8.770 2.197 ( 0.000 8.093 3.378) 8.770 2.398 ( 0.000 -4.979 -15.475) 16.256 2.398 ( 0.000 4.979 -15.475) 16.256 2.521 ( 0.000 -0.602 -2.452) 2.525 2.521 ( 0.000 0.602 -2.452) 2.525 2.961 ( 0.000 -8.272 -4.269) 9.308 2.961 ( 0.000 8.272 -4.269) 9.308 4.139 ( 0.000 -5.391 20.464) 21.162 4.139 ( 0.000 5.391 20.464) 21.162 4.205 ( 0.000 -5.573 4.973) 7.469 4.205 ( 0.000 5.573 4.973) 7.469 4.549 ( 0.000 -16.793 17.090) 23.960 4.549 ( 0.000 16.793 17.090) 23.960 5.196 ( 0.000 -12.417 2.250) 12.619 5.196 ( 0.000 12.417 2.250) 12.619 5.306 ( 0.000 -4.539 -12.122) 12.944 5.306 ( 0.000 4.539 -12.122) 12.944 5.851 ( 0.000 -2.715 -19.654) 19.841 5.851 ( 0.000 2.715 -19.654) 19.841 6.485 ( 0.000 -0.428 5.968) 5.984 6.485 ( 0.000 0.428 5.968) 5.984 7.145 ( 0.000 -4.435 -12.503) 13.266 7.145 ( 0.000 4.435 -12.503) 13.266 7.347 ( 0.000 -10.760 6.562) 12.603 7.347 ( 0.000 10.760 6.562) 12.603 8.057 ( 0.000 -6.002 -3.366) 6.882 8.057 ( 0.000 6.002 -3.366) 6.882 9.407 ( 0.000 -12.385 18.055) 21.895 9.407 ( 0.000 12.385 18.055) 21.895 10.316 ( 0.000 -6.181 -2.079) 6.521 10.316 ( 0.000 6.181 -2.079) 6.521 11.069 ( 0.000 -3.765 -3.650) 5.243 11.069 ( 0.000 3.765 -3.650) 5.243 11.366 ( 0.000 -11.179 -5.794) 12.591 11.366 ( 0.000 11.179 -5.794) 12.591 12.184 ( 0.000 -8.770 3.445) 9.422 12.184 ( 0.000 8.770 3.445) 9.422 12.647 ( 0.000 -8.006 -4.808) 9.339 12.647 ( 0.000 8.006 -4.808) 9.339 14.301 ( 0.000 -7.767 4.447) 8.950 14.301 ( 0.000 7.767 4.447) 8.950 14.597 ( 0.000 -2.164 6.493) 6.844 14.597 ( 0.000 2.164 6.493) 6.844 16.509 ( 0.000 -5.446 16.848) 17.706 16.509 ( 0.000 5.446 16.848) 17.706 16.860 ( 0.000 -1.839 7.061) 7.296 16.860 ( 0.000 1.839 7.061) 7.296 17.086 ( 0.000 -21.173 0.292) 21.175 17.086 ( 0.000 21.173 0.292) 21.175 17.913 ( 0.000 -1.898 -17.937) 18.037 17.913 ( 0.000 1.898 -17.937) 18.037 21.943 ( 0.000 -10.520 18.056) 20.897 21.943 ( 0.000 10.520 18.056) 20.897 23.213 ( 0.000 -8.128 -16.719) 18.590 23.213 ( 0.000 8.128 -16.719) 18.590 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 1.295 -3.426 4.007) 5.428 1.852 ( 1.295 3.426 4.007) 5.428 2.087 ( 0.419 -0.797 1.067) 1.396 2.087 ( 0.419 0.797 1.067) 1.396 2.257 ( 4.741 -7.129 1.378) 8.671 2.257 ( 4.741 7.129 1.378) 8.671 2.399 ( -0.228 -4.578 -12.494) 13.308 2.399 ( -0.228 4.578 -12.494) 13.308 2.465 ( -4.303 -2.580 -2.101) 5.439 2.465 ( -4.303 2.580 -2.101) 5.439 2.977 ( 1.242 -7.348 -4.517) 8.715 2.977 ( 1.242 7.348 -4.517) 8.715 3.995 ( -11.994 -3.551 14.736) 19.329 3.995 ( -11.994 3.551 14.736) 19.329 4.252 ( 5.132 -9.869 9.294) 14.495 4.252 ( 5.132 9.869 9.294) 14.495 4.643 ( 6.969 -15.352 12.859) 21.204 4.643 ( 6.969 15.352 12.859) 21.204 5.144 ( -8.226 -12.220 -5.121) 15.595 5.144 ( -8.226 12.220 -5.121) 15.595 5.318 ( 3.817 -3.666 -7.427) 9.120 5.318 ( 3.817 3.666 -7.427) 9.120 5.810 ( -3.277 -4.159 -13.272) 14.289 5.810 ( -3.277 4.159 -13.272) 14.289 6.535 ( 4.668 -1.985 4.893) 7.048 6.535 ( 4.668 1.985 4.893) 7.048 7.048 ( -4.836 -5.916 -3.595) 8.445 7.048 ( -4.836 5.916 -3.595) 8.445 7.577 ( 17.238 -9.909 -1.429) 19.934 7.577 ( 17.238 9.909 -1.429) 19.934 8.109 ( 5.301 -5.954 -2.791) 8.446 8.109 ( 5.301 5.954 -2.791) 8.446 9.391 ( -1.860 -13.540 17.574) 22.262 9.391 ( -1.860 13.540 17.574) 22.262 10.290 ( -2.778 -8.186 -2.635) 9.037 10.290 ( -2.778 8.186 -2.635) 9.037 11.072 ( 0.549 -3.877 -2.959) 4.908 11.072 ( 0.549 3.877 -2.959) 4.908 11.377 ( 1.282 -10.722 -6.609) 12.660 11.377 ( 1.282 10.722 -6.609) 12.660 12.133 ( -5.031 -9.760 4.222) 11.764 12.133 ( -5.031 9.760 4.222) 11.764 12.608 ( -3.907 -7.999 -5.504) 10.466 12.608 ( -3.907 7.999 -5.504) 10.466 14.314 ( 1.163 -7.636 4.272) 8.827 14.314 ( 1.163 7.636 4.272) 8.827 14.589 ( -0.814 -2.729 6.650) 7.234 14.589 ( -0.814 2.729 6.650) 7.234 16.411 ( -8.529 -6.420 13.734) 17.395 16.411 ( -8.529 6.420 13.734) 17.395 16.895 ( 2.449 -2.700 5.142) 6.303 16.895 ( 2.449 2.700 5.142) 6.303 17.088 ( 0.039 -16.081 0.424) 16.086 17.088 ( 0.039 16.081 0.424) 16.086 17.800 ( -10.785 -0.984 -18.455) 21.398 17.800 ( -10.785 0.984 -18.455) 21.398 22.027 ( 7.957 -9.436 17.159) 21.138 22.027 ( 7.957 9.436 17.159) 21.138 23.192 ( -2.086 -8.348 -15.564) 17.784 23.192 ( -2.086 8.348 -15.564) 17.784 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 2.098 -2.709 3.064) 4.596 1.886 ( 2.098 2.709 3.064) 4.596 2.099 ( 0.645 -0.902 0.033) 1.109 2.099 ( 0.645 0.902 0.033) 1.109 2.286 ( -4.186 -2.279 -4.840) 6.793 2.286 ( -4.186 2.279 -4.840) 6.793 2.358 ( -1.052 -6.108 1.547) 6.388 2.358 ( -1.052 6.108 1.547) 6.388 2.469 ( 4.225 -0.967 -6.515) 7.825 2.469 ( 4.225 0.967 -6.515) 7.825 2.998 ( 0.705 -4.737 -4.329) 6.456 2.998 ( 0.705 4.737 -4.329) 6.456 3.742 ( -12.430 -5.156 8.673) 16.010 3.742 ( -12.430 5.156 8.673) 16.010 4.404 ( 9.314 -10.558 5.753) 15.209 4.404 ( 9.314 10.558 5.753) 15.209 4.718 ( -4.766 -15.621 0.893) 16.356 4.718 ( -4.766 15.621 0.893) 16.356 4.940 ( -5.689 -5.488 -8.426) 11.553 4.940 ( -5.689 5.488 -8.426) 11.553 5.431 ( 6.374 -6.598 -0.162) 9.176 5.431 ( 6.374 6.598 -0.162) 9.176 5.755 ( -1.984 -6.389 -4.382) 7.997 5.755 ( -1.984 6.389 -4.382) 7.997 6.650 ( 6.661 -3.536 4.725) 8.899 6.650 ( 6.661 3.536 4.725) 8.899 6.989 ( -1.523 -3.197 1.321) 3.780 6.989 ( -1.523 3.197 1.321) 3.780 7.916 ( 15.571 -6.511 -0.950) 16.904 7.916 ( 15.571 6.511 -0.950) 16.904 8.270 ( 11.083 -7.748 -1.933) 13.660 8.270 ( 11.083 7.748 -1.933) 13.660 9.332 ( -3.726 -13.973 13.696) 19.917 9.332 ( -3.726 13.973 13.696) 19.917 10.197 ( -7.090 -12.116 -4.216) 14.658 10.197 ( -7.090 12.116 -4.216) 14.658 11.112 ( 4.043 -4.040 -1.627) 5.942 11.112 ( 4.043 4.040 -1.627) 5.942 11.425 ( 3.902 -10.115 -7.985) 13.464 11.425 ( 3.902 10.115 -7.985) 13.464 12.001 ( -7.996 -11.588 5.517) 15.121 12.001 ( -7.996 11.588 5.517) 15.121 12.499 ( -7.179 -8.166 -6.645) 12.743 12.499 ( -7.179 8.166 -6.645) 12.743 14.342 ( 1.671 -6.920 4.266) 8.299 14.342 ( 1.671 6.920 4.266) 8.299 14.568 ( -1.238 -3.208 6.624) 7.463 14.568 ( -1.238 3.208 6.624) 7.463 16.235 ( -8.106 -7.574 5.784) 12.511 16.235 ( -8.106 7.574 5.784) 12.511 16.906 ( -3.165 -10.326 -2.692) 11.131 16.906 ( -3.165 10.326 -2.692) 11.131 17.091 ( 0.838 -10.182 1.332) 10.303 17.091 ( 0.838 10.182 1.332) 10.303 17.542 ( -13.436 -8.122 -16.555) 22.816 17.542 ( -13.436 8.122 -16.555) 22.816 22.223 ( 11.173 -7.854 14.291) 19.768 22.223 ( 11.173 7.854 14.291) 19.768 23.129 ( -4.478 -8.865 -12.497) 15.963 23.129 ( -4.478 8.865 -12.497) 15.963 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 2.712 -3.273 1.369) 4.466 1.933 ( 2.712 3.273 1.369) 4.466 2.107 ( -0.210 -3.598 -0.572) 3.649 2.107 ( -0.210 3.598 -0.572) 3.649 2.191 ( -3.590 -7.264 0.099) 8.103 2.191 ( -3.590 7.264 0.099) 8.103 2.329 ( -2.645 -6.208 0.988) 6.820 2.329 ( -2.645 6.208 0.988) 6.820 2.584 ( 7.206 -5.355 -4.867) 10.212 2.584 ( 7.206 5.355 -4.867) 10.212 2.988 ( -2.395 -2.770 -2.291) 4.319 2.988 ( -2.395 2.770 -2.291) 4.319 3.563 ( -4.140 -3.992 -2.525) 6.281 3.563 ( -4.140 3.992 -2.525) 6.281 4.332 ( -20.097 -9.831 -17.468) 28.384 4.332 ( -20.097 9.831 -17.468) 28.384 4.684 ( 10.032 -10.363 1.940) 14.553 4.684 ( 10.032 10.363 1.940) 14.553 4.975 ( 3.436 -9.764 1.672) 10.485 4.975 ( 3.436 9.764 1.672) 10.485 5.541 ( 4.695 -7.336 3.341) 9.328 5.541 ( 4.695 7.336 3.341) 9.328 5.731 ( -0.853 -6.628 -0.126) 6.684 5.731 ( -0.853 6.628 -0.126) 6.684 6.782 ( 6.339 -4.342 6.036) 9.771 6.782 ( 6.339 4.342 6.036) 9.771 6.971 ( -0.715 -0.977 4.683) 4.836 6.971 ( -0.715 0.977 4.683) 4.836 8.168 ( 10.748 -3.703 4.769) 12.328 8.168 ( 10.748 3.703 4.769) 12.328 8.487 ( 8.048 -8.153 3.991) 12.132 8.487 ( 8.048 8.153 3.991) 12.132 9.290 ( 1.454 -7.882 1.644) 8.182 9.290 ( 1.454 7.882 1.644) 8.182 10.004 ( -12.437 -14.459 -6.999) 20.316 10.004 ( -12.437 14.459 -6.999) 20.316 11.233 ( 7.925 -4.832 -0.250) 9.285 11.233 ( 7.925 4.832 -0.250) 9.285 11.535 ( 6.713 -9.993 -9.714) 15.469 11.535 ( 6.713 9.993 -9.714) 15.469 11.842 ( -7.043 -12.239 6.748) 15.650 11.842 ( -7.043 12.239 6.748) 15.650 12.325 ( -10.457 -8.245 -6.886) 14.992 12.325 ( -10.457 8.245 -6.886) 14.992 14.381 ( 2.335 -5.698 4.701) 7.747 14.381 ( 2.335 5.698 4.701) 7.747 14.539 ( -1.863 -3.261 6.089) 7.154 14.539 ( -1.863 3.261 6.089) 7.154 16.131 ( -1.764 -8.027 -4.412) 9.328 16.131 ( -1.764 8.027 -4.412) 9.328 16.720 ( -14.820 -8.500 -15.415) 23.011 16.720 ( -14.820 8.500 -15.415) 23.011 17.134 ( 3.124 -22.249 1.776) 22.537 17.134 ( 3.124 22.249 1.776) 22.537 17.345 ( -6.310 -21.800 -7.697) 23.964 17.345 ( -6.310 21.800 -7.697) 23.964 22.445 ( 11.248 -7.570 9.426) 16.513 22.445 ( 11.248 7.570 9.426) 16.513 23.015 ( -7.063 -9.266 -8.142) 14.214 23.015 ( -7.063 9.266 -8.142) 14.214 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 3.472 -4.426 -0.370) 5.638 1.994 ( 3.472 4.426 -0.370) 5.638 2.065 ( -3.516 -3.274 -0.686) 4.852 2.065 ( -3.516 3.274 -0.686) 4.852 2.185 ( 2.537 -3.425 2.790) 5.095 2.185 ( 2.537 3.425 2.790) 5.095 2.258 ( -4.189 -6.736 3.223) 8.562 2.258 ( -4.189 6.736 3.223) 8.562 2.741 ( 8.341 -5.897 -2.359) 10.484 2.741 ( 8.341 5.897 -2.359) 10.484 2.893 ( -6.820 -4.699 -0.297) 8.287 2.893 ( -6.820 4.699 -0.297) 8.287 3.620 ( 9.830 -3.241 -15.218) 18.404 3.620 ( 9.830 3.241 -15.218) 18.404 3.920 ( -19.551 -5.257 -20.479) 28.797 3.920 ( -19.551 5.257 -20.479) 28.797 4.880 ( 8.477 -11.456 0.737) 14.270 4.880 ( 8.477 11.456 0.737) 14.270 4.991 ( -2.423 -11.491 0.754) 11.768 4.991 ( -2.423 11.491 0.754) 11.768 5.627 ( 4.297 -6.507 4.306) 8.907 5.627 ( 4.297 6.507 4.306) 8.907 5.700 ( -2.693 -6.104 2.450) 7.107 5.700 ( -2.693 6.104 2.450) 7.107 6.888 ( 4.287 -3.917 7.054) 9.136 6.888 ( 4.287 3.917 7.054) 9.136 6.948 ( -1.909 -2.352 6.631) 7.290 6.948 ( -1.909 2.352 6.631) 7.290 8.363 ( 9.248 -6.326 9.820) 14.899 8.363 ( 9.248 6.326 9.820) 14.899 8.512 ( -4.795 -8.119 11.829) 15.127 8.512 ( -4.795 8.119 11.829) 15.127 9.438 ( 12.724 -9.221 -10.078) 18.668 9.438 ( 12.724 9.221 -10.078) 18.668 9.726 ( -15.260 -13.833 -10.206) 22.987 9.726 ( -15.260 13.833 -10.206) 22.987 11.402 ( 8.841 -6.799 0.250) 11.156 11.402 ( 8.841 6.799 0.250) 11.156 11.562 ( -6.126 -7.642 -3.340) 10.348 11.562 ( -6.126 7.642 -3.340) 10.348 11.852 ( 9.761 -7.545 -0.691) 12.357 11.852 ( 9.761 7.545 -0.691) 12.357 12.093 ( -12.859 -7.981 -5.687) 16.168 12.093 ( -12.859 7.981 -5.687) 16.168 14.434 ( 3.014 -4.475 5.133) 7.447 14.434 ( 3.014 4.475 5.133) 7.447 14.493 ( -2.778 -3.605 5.536) 7.167 14.493 ( -2.778 3.605 5.536) 7.167 16.184 ( 7.308 -7.692 -13.580) 17.233 16.184 ( 7.308 7.692 -13.580) 17.233 16.409 ( -14.913 -6.998 -18.561) 24.818 16.409 ( -14.913 6.998 -18.562) 24.818 17.198 ( 3.250 -25.654 0.253) 25.861 17.198 ( 3.250 25.654 0.253) 25.861 17.260 ( -3.240 -26.438 -2.209) 26.727 17.260 ( -3.240 26.438 -2.209) 26.727 22.660 ( 10.500 -8.323 3.339) 13.809 22.660 ( 10.500 8.323 3.339) 13.809 22.854 ( -9.196 -9.099 -2.778) 13.232 22.854 ( -9.196 9.099 -2.778) 13.232 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.000 0.000 8.130) 8.130 1.878 ( 0.000 0.000 -4.247) 4.247 1.973 ( 0.000 0.000 14.102) 14.102 2.204 ( 0.000 0.000 -7.449) 7.449 2.208 ( 0.000 0.000 -0.620) 0.620 2.257 ( 0.000 0.000 2.192) 2.192 2.295 ( 0.000 0.000 -9.150) 9.150 2.366 ( 0.000 0.000 -6.932) 6.932 2.632 ( 0.000 0.000 7.123) 7.123 2.780 ( 0.000 0.000 -7.078) 7.078 3.068 ( 0.000 0.000 2.261) 2.261 3.115 ( 0.000 0.000 -2.200) 2.200 3.397 ( 0.000 0.000 10.021) 10.021 3.517 ( 0.000 0.000 -3.294) 3.294 4.291 ( 0.000 0.000 18.800) 18.800 4.505 ( 0.000 0.000 27.129) 27.129 4.583 ( 0.000 0.000 -6.596) 6.596 4.765 ( 0.000 0.000 6.059) 6.059 5.063 ( 0.000 0.000 -8.046) 8.046 5.148 ( 0.000 0.000 6.974) 6.974 5.196 ( 0.000 0.000 -18.644) 18.644 5.356 ( 0.000 0.000 -9.623) 9.623 5.556 ( 0.000 0.000 -2.198) 2.198 5.668 ( 0.000 0.000 -9.030) 9.030 6.305 ( 0.000 0.000 1.568) 1.568 6.380 ( 0.000 0.000 -4.613) 4.613 7.162 ( 0.000 0.000 5.209) 5.209 7.274 ( 0.000 0.000 -5.958) 5.958 7.620 ( 0.000 0.000 23.436) 23.436 7.788 ( 0.000 0.000 2.591) 2.591 7.860 ( 0.000 0.000 -4.469) 4.469 8.053 ( 0.000 0.000 -18.849) 18.849 9.186 ( 0.000 0.000 16.422) 16.422 9.505 ( 0.000 0.000 -14.499) 14.499 10.435 ( 0.000 0.000 5.983) 5.983 10.535 ( 0.000 0.000 -4.719) 4.719 10.690 ( 0.000 0.000 5.808) 5.808 10.830 ( 0.000 0.000 -7.949) 7.949 11.420 ( 0.000 0.000 9.029) 9.029 11.654 ( 0.000 0.000 -12.397) 12.397 11.910 ( 0.000 0.000 27.386) 27.386 12.247 ( 0.000 0.000 -1.435) 1.435 12.257 ( 0.000 0.000 -1.960) 1.960 12.434 ( 0.000 0.000 -23.475) 23.475 14.433 ( 0.000 0.000 10.150) 10.150 14.606 ( 0.000 0.000 -6.451) 6.451 14.753 ( 0.000 0.000 3.117) 3.117 14.781 ( 0.000 0.000 0.149) 0.149 15.658 ( 0.000 0.000 4.569) 4.569 15.735 ( 0.000 0.000 -3.003) 3.003 16.919 ( 0.000 0.000 22.886) 22.886 17.149 ( 0.000 0.000 21.604) 21.604 17.366 ( 0.000 0.000 -14.776) 14.776 17.513 ( 0.000 0.000 9.008) 9.008 17.589 ( 0.000 0.000 -21.006) 21.006 17.784 ( 0.000 0.000 -11.759) 11.759 22.280 ( 0.000 0.000 19.130) 19.130 22.675 ( 0.000 0.000 -19.105) 19.105 23.017 ( 0.000 0.000 20.346) 20.346 23.419 ( 0.000 0.000 -18.349) 18.349 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -3.386 0.000 5.857) 6.765 1.830 ( -4.832 0.000 -4.479) 6.589 1.988 ( 0.934 0.000 12.268) 12.304 2.150 ( -2.697 0.000 -4.082) 4.892 2.276 ( 2.208 0.000 4.018) 4.585 2.278 ( 3.281 0.000 -2.653) 4.219 2.333 ( 4.554 0.000 -8.500) 9.643 2.403 ( 3.670 0.000 -6.920) 7.834 2.627 ( -0.486 0.000 6.955) 6.972 2.773 ( -0.479 0.000 -7.220) 7.236 3.068 ( -0.423 0.000 1.441) 1.502 3.102 ( -1.332 0.000 -1.801) 2.240 3.397 ( 0.250 0.000 7.935) 7.939 3.490 ( -2.478 0.000 -2.554) 3.558 4.155 ( -12.403 0.000 20.433) 23.902 4.449 ( -6.314 0.000 27.948) 28.652 4.541 ( -6.880 0.000 -15.687) 17.129 4.811 ( 3.946 0.000 8.037) 8.953 5.004 ( -3.208 0.000 -11.900) 12.325 5.081 ( -3.178 0.000 12.033) 12.446 5.103 ( -9.269 0.000 -22.873) 24.679 5.334 ( -1.402 0.000 -11.136) 11.224 5.633 ( 10.392 0.000 6.784) 12.411 5.827 ( 10.897 0.000 -11.618) 15.929 6.390 ( 9.873 0.000 7.866) 12.624 6.558 ( 13.918 0.000 -7.721) 15.916 7.092 ( -5.965 0.000 5.119) 7.860 7.200 ( -6.056 0.000 -5.669) 8.296 7.632 ( 1.156 0.000 21.856) 21.887 7.899 ( 10.127 0.000 4.534) 11.096 8.008 ( 13.282 0.000 -5.937) 14.549 8.038 ( -1.616 0.000 -17.655) 17.729 9.121 ( -5.713 0.000 15.578) 16.592 9.439 ( -6.204 0.000 -15.129) 16.352 10.422 ( -2.024 0.000 8.590) 8.825 10.562 ( 1.634 0.000 -5.901) 6.123 10.757 ( 6.722 0.000 4.768) 8.242 10.874 ( 4.390 0.000 -6.698) 8.009 11.410 ( -0.706 0.000 7.887) 7.919 11.631 ( -1.987 0.000 -12.403) 12.561 11.892 ( -1.744 0.000 26.864) 26.920 12.188 ( -3.994 0.000 2.655) 4.796 12.272 ( -0.215 0.000 -5.524) 5.528 12.405 ( -2.879 0.000 -22.927) 23.107 14.403 ( -2.650 0.000 9.834) 10.185 14.561 ( -3.771 0.000 -5.208) 6.430 14.762 ( 0.850 0.000 3.408) 3.512 14.800 ( 1.106 0.000 -0.160) 1.117 15.652 ( -0.657 0.000 4.104) 4.156 15.718 ( -1.773 0.000 -2.402) 2.986 16.702 ( -17.317 0.000 20.033) 26.480 17.003 ( -13.565 0.000 19.922) 24.102 17.135 ( -19.753 0.000 -21.326) 29.069 17.431 ( -15.217 0.000 -21.375) 26.239 17.649 ( 11.499 0.000 15.737) 19.491 17.930 ( 9.758 0.000 -11.450) 15.044 22.345 ( 5.670 0.000 16.094) 17.063 22.686 ( 0.750 0.000 -16.902) 16.918 23.049 ( 3.085 0.000 19.248) 19.494 23.427 ( 0.697 0.000 -17.216) 17.230 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -8.232 0.000 1.567) 8.380 1.692 ( -9.099 0.000 -5.486) 10.625 1.987 ( -1.195 0.000 7.187) 7.286 2.085 ( -4.054 0.000 -3.809) 5.563 2.341 ( 3.373 0.000 1.895) 3.869 2.352 ( 5.462 0.000 7.317) 9.131 2.455 ( 6.853 0.000 -7.570) 10.211 2.501 ( 6.026 0.000 -6.233) 8.669 2.618 ( -0.303 0.000 6.850) 6.857 2.772 ( 0.460 0.000 -8.005) 8.018 3.034 ( -3.186 0.000 0.445) 3.217 3.059 ( -3.131 0.000 -1.672) 3.549 3.421 ( 1.770 0.000 2.021) 2.686 3.440 ( -1.224 0.000 -0.083) 1.227 3.869 ( -15.076 0.000 17.686) 23.240 4.257 ( -12.447 0.000 24.761) 27.714 4.270 ( -18.896 0.000 -21.098) 28.323 4.779 ( -16.432 0.000 -24.187) 29.241 4.902 ( 5.269 0.000 10.113) 11.404 5.100 ( 5.508 0.000 -8.959) 10.516 5.108 ( 5.164 0.000 12.429) 13.459 5.334 ( 1.442 0.000 -9.591) 9.699 5.876 ( 12.568 0.000 6.017) 13.934 6.033 ( 9.647 0.000 -8.841) 13.085 6.644 ( 14.596 0.000 11.561) 18.620 6.848 ( 14.714 0.000 -7.356) 16.450 6.970 ( -5.674 0.000 5.279) 7.750 7.079 ( -5.697 0.000 -5.493) 7.914 7.657 ( 1.057 0.000 17.250) 17.282 7.986 ( -3.688 0.000 -14.525) 14.986 8.135 ( 12.610 0.000 8.806) 15.381 8.313 ( 16.004 0.000 -7.666) 17.745 9.020 ( -2.585 0.000 10.549) 10.861 9.291 ( -7.703 0.000 -14.729) 16.622 10.319 ( -9.061 0.000 13.026) 15.867 10.542 ( -4.917 0.000 -8.945) 10.207 10.941 ( 11.292 0.000 2.127) 11.491 10.996 ( 7.920 0.000 -3.438) 8.634 11.412 ( 1.273 0.000 6.330) 6.456 11.606 ( 0.140 0.000 -11.870) 11.871 11.847 ( -2.666 0.000 24.998) 25.140 12.107 ( -3.968 0.000 5.996) 7.190 12.248 ( -2.028 0.000 -7.929) 8.184 12.322 ( -5.624 0.000 -20.986) 21.727 14.354 ( -1.755 0.000 9.239) 9.405 14.489 ( -2.997 0.000 -3.408) 4.539 14.771 ( -0.255 0.000 3.289) 3.299 14.808 ( -0.385 0.000 -0.064) 0.390 15.616 ( -3.981 0.000 3.228) 5.126 15.662 ( -3.703 0.000 -1.360) 3.945 16.363 ( -15.251 0.000 12.839) 19.936 16.688 ( -16.693 0.000 14.086) 21.842 16.706 ( -22.244 0.000 -20.078) 29.965 17.049 ( -21.900 0.000 -20.653) 30.102 17.872 ( 10.504 0.000 13.013) 16.723 18.095 ( 6.747 0.000 -8.676) 10.991 22.458 ( 4.893 0.000 10.132) 11.252 22.688 ( -0.895 0.000 -12.183) 12.216 23.129 ( 4.814 0.000 15.964) 16.674 23.439 ( 0.268 0.000 -13.969) 13.972 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -9.888 0.000 -1.779) 10.047 1.487 ( -11.067 0.000 -6.353) 12.761 1.947 ( -2.499 0.000 1.577) 2.955 1.999 ( -4.342 0.000 -4.117) 5.984 2.408 ( 3.418 0.000 7.757) 8.477 2.481 ( 7.180 0.000 8.982) 11.499 2.555 ( 1.356 0.000 0.254) 1.380 2.622 ( 5.673 0.000 -3.406) 6.616 2.639 ( 3.933 0.000 -0.512) 3.967 2.786 ( 0.648 0.000 -9.197) 9.220 2.952 ( -4.510 0.000 -0.882) 4.595 2.986 ( -3.861 0.000 -3.266) 5.057 3.414 ( 0.782 0.000 4.249) 4.320 3.523 ( 6.717 0.000 -6.171) 9.122 3.613 ( -10.267 0.000 8.982) 13.641 3.884 ( -18.747 0.000 -17.273) 25.492 3.998 ( -12.802 0.000 20.758) 24.388 4.438 ( -17.697 0.000 -21.730) 28.025 5.021 ( 6.559 0.000 9.663) 11.679 5.199 ( 3.477 0.000 -7.802) 8.542 5.231 ( 6.402 0.000 7.532) 9.885 5.371 ( 1.738 0.000 -6.059) 6.304 6.091 ( 8.973 0.000 5.122) 10.332 6.190 ( 5.971 0.000 -4.087) 7.235 6.889 ( -2.323 0.000 4.450) 5.020 6.927 ( 13.558 0.000 12.432) 18.395 6.984 ( -4.019 0.000 -4.552) 6.073 7.107 ( 10.947 0.000 -3.259) 11.421 7.668 ( 0.170 0.000 9.939) 9.940 7.894 ( -5.524 0.000 -10.811) 12.140 8.336 ( 6.772 0.000 10.615) 12.591 8.548 ( 5.722 0.000 -7.849) 9.714 9.078 ( 7.547 0.000 2.688) 8.012 9.232 ( 5.992 0.000 -10.357) 11.965 10.071 ( -15.433 0.000 14.440) 21.136 10.349 ( -14.375 0.000 -12.073) 18.773 11.146 ( 8.760 0.000 2.386) 9.079 11.190 ( 10.924 0.000 -1.891) 11.087 11.466 ( 4.129 0.000 6.296) 7.529 11.634 ( 1.847 0.000 -9.551) 9.728 11.804 ( -0.962 0.000 20.061) 20.084 12.044 ( -2.003 0.000 5.925) 6.254 12.187 ( -8.009 0.000 -16.709) 18.529 12.194 ( -3.453 0.000 -8.471) 9.148 14.347 ( 1.172 0.000 7.762) 7.850 14.451 ( -0.987 0.000 -1.746) 2.005 14.751 ( -1.594 0.000 2.875) 3.287 14.785 ( -1.888 0.000 -0.179) 1.897 15.487 ( -7.613 0.000 2.516) 8.018 15.574 ( -5.935 0.000 -4.611) 7.516 16.148 ( -6.570 0.000 4.207) 7.801 16.323 ( -15.405 0.000 -13.609) 20.555 16.403 ( -11.298 0.000 5.523) 12.576 16.635 ( -18.835 0.000 -16.882) 25.294 18.051 ( 7.609 0.000 8.649) 11.520 18.192 ( 3.103 0.000 -5.047) 5.925 22.524 ( 2.044 0.000 4.733) 5.155 22.650 ( -2.759 0.000 -7.522) 8.012 23.228 ( 5.021 0.000 10.724) 11.842 23.431 ( -1.190 0.000 -8.964) 9.043 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -4.355 0.000 -4.474) 6.244 1.305 ( -6.049 0.000 -6.047) 8.553 1.910 ( -0.757 0.000 -2.463) 2.577 1.928 ( -2.548 0.000 -4.350) 5.042 2.475 ( 3.372 0.000 10.156) 10.702 2.533 ( -2.372 0.000 8.435) 8.762 2.612 ( 5.705 0.000 8.757) 10.452 2.683 ( -0.578 0.000 4.450) 4.487 2.733 ( 4.167 0.000 -8.188) 9.188 2.784 ( -1.125 0.000 -9.619) 9.685 2.898 ( -0.128 0.000 -6.242) 6.244 2.926 ( -2.187 0.000 -6.838) 7.179 3.477 ( 5.720 0.000 8.090) 9.908 3.491 ( -1.359 0.000 -0.638) 1.501 3.584 ( -10.770 0.000 -9.865) 14.605 3.603 ( -3.464 0.000 0.147) 3.467 3.866 ( 4.655 0.000 3.226) 5.664 4.103 ( -15.851 0.000 -15.406) 22.104 5.144 ( 5.474 0.000 3.594) 6.549 5.217 ( -1.609 0.000 -3.547) 3.895 5.337 ( 4.023 0.000 2.649) 4.817 5.384 ( -0.760 0.000 -1.905) 2.051 6.221 ( 4.232 0.000 3.843) 5.717 6.257 ( 0.717 0.000 0.688) 0.994 6.880 ( 1.113 0.000 1.553) 1.910 6.919 ( -2.674 0.000 -2.011) 3.345 7.154 ( 8.876 0.000 11.398) 14.446 7.238 ( 1.255 0.000 5.466) 5.608 7.687 ( 2.681 0.000 -0.481) 2.724 7.778 ( -5.926 0.000 -7.377) 9.463 8.429 ( 4.330 0.000 2.784) 5.148 8.530 ( -5.157 0.000 -6.312) 8.151 9.303 ( 15.224 0.000 9.184) 17.780 9.480 ( 9.192 0.000 -3.477) 9.828 9.783 ( -7.519 0.000 4.990) 9.024 10.011 ( -18.895 0.000 -12.927) 22.894 11.291 ( 5.600 0.000 5.057) 7.546 11.334 ( 2.309 0.000 1.907) 2.995 11.560 ( 5.006 0.000 4.496) 6.729 11.637 ( -2.109 0.000 -2.017) 2.918 11.848 ( 6.058 0.000 6.418) 8.825 12.013 ( -9.403 0.000 -8.401) 12.609 12.045 ( 2.286 0.000 -0.538) 2.349 12.116 ( -4.259 0.000 -6.555) 7.817 14.390 ( 2.719 0.000 4.906) 5.609 14.434 ( -1.357 0.000 1.091) 1.741 14.726 ( -0.376 0.000 1.591) 1.635 14.744 ( -1.911 0.000 0.104) 1.913 15.386 ( -1.461 0.000 -2.781) 3.141 15.440 ( -6.241 0.000 -7.267) 9.579 16.083 ( -0.584 0.000 -0.564) 0.812 16.124 ( -5.299 0.000 -5.163) 7.398 16.272 ( -1.604 0.000 -3.026) 3.425 16.350 ( -9.565 0.000 -10.618) 14.291 18.168 ( 4.258 0.000 3.846) 5.738 18.216 ( -0.612 0.000 -0.833) 1.033 22.554 ( 1.467 0.000 0.355) 1.510 22.593 ( -2.612 0.000 -3.518) 4.382 23.320 ( 4.246 0.000 4.192) 5.967 23.391 ( -2.882 0.000 -2.679) 3.935 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.000 1.023 5.233) 5.332 1.868 ( 0.000 0.454 -4.056) 4.082 2.012 ( 0.000 1.985 11.212) 11.386 2.169 ( 0.000 -2.355 2.621) 3.524 2.216 ( 0.000 -2.003 3.584) 4.105 2.248 ( 0.000 1.113 -9.026) 9.095 2.287 ( 0.000 -0.462 -7.876) 7.890 2.348 ( 0.000 -2.063 -6.403) 6.727 2.548 ( 0.000 -5.012 4.329) 6.623 2.656 ( 0.000 -7.902 -6.079) 9.969 3.060 ( 0.000 -4.261 5.849) 7.237 3.171 ( 0.000 -1.291 -5.133) 5.292 3.600 ( 0.000 18.306 6.248) 19.343 3.657 ( 0.000 15.497 -0.725) 15.514 4.335 ( 0.000 3.941 19.215) 19.615 4.554 ( 0.000 4.717 27.237) 27.642 4.626 ( 0.000 3.363 -4.515) 5.630 4.782 ( 0.000 1.737 7.047) 7.258 5.065 ( 0.000 0.119 -8.753) 8.754 5.104 ( 0.000 -2.639 1.718) 3.149 5.221 ( 0.000 1.191 -12.641) 12.697 5.358 ( 0.000 -0.173 -12.445) 12.446 5.520 ( 0.000 -3.229 -3.567) 4.812 5.623 ( 0.000 -3.819 -8.090) 8.946 6.397 ( 0.000 7.437 1.028) 7.507 6.442 ( 0.000 5.194 -2.722) 5.864 7.095 ( 0.000 -5.819 3.818) 6.960 7.183 ( 0.000 -7.599 -4.175) 8.670 7.533 ( 0.000 -5.316 14.867) 15.789 7.759 ( 0.000 -8.144 -7.166) 10.848 7.868 ( 0.000 4.681 5.263) 7.044 8.056 ( 0.000 -0.149 -12.435) 12.436 9.282 ( 0.000 8.352 16.610) 18.592 9.587 ( 0.000 6.598 -12.657) 14.274 10.383 ( 0.000 -4.221 6.644) 7.872 10.490 ( 0.000 -3.987 -4.589) 6.079 10.761 ( 0.000 6.223 2.854) 6.847 10.853 ( 0.000 2.211 -6.071) 6.461 11.372 ( 0.000 -4.554 8.838) 9.942 11.603 ( 0.000 -5.099 -11.051) 12.171 11.980 ( 0.000 6.173 20.395) 21.309 12.263 ( 0.000 1.164 -4.927) 5.062 12.311 ( 0.000 5.691 1.243) 5.825 12.501 ( 0.000 4.869 -17.673) 18.331 14.405 ( 0.000 -2.317 9.983) 10.249 14.569 ( 0.000 -3.442 -5.698) 6.657 14.728 ( 0.000 -1.980 3.160) 3.729 14.754 ( 0.000 -2.230 0.320) 2.253 15.861 ( 0.000 18.326 3.754) 18.707 15.930 ( 0.000 17.210 -3.082) 17.484 16.938 ( 0.000 1.803 22.293) 22.366 17.129 ( 0.000 -1.753 21.446) 21.518 17.361 ( 0.000 -1.056 -7.414) 7.488 17.492 ( 0.000 -1.605 0.594) 1.711 17.576 ( 0.000 -1.173 -21.083) 21.116 17.712 ( 0.000 -6.902 -10.401) 12.483 22.253 ( 0.000 -1.949 20.190) 20.283 22.661 ( 0.000 -1.222 -18.436) 18.477 22.913 ( 0.000 -9.010 19.091) 21.110 23.315 ( 0.000 -9.257 -18.684) 20.851 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -1.849 2.057 3.489) 4.452 1.840 ( -2.848 1.711 -4.707) 5.762 2.022 ( 0.893 1.856 10.168) 10.375 2.142 ( -2.357 -1.653 0.680) 2.958 2.247 ( 1.387 -1.968 -4.906) 5.465 2.268 ( 1.863 -0.712 3.315) 3.868 2.291 ( 2.505 -2.457 -5.988) 6.940 2.424 ( 6.046 0.316 -6.538) 8.911 2.541 ( -0.577 -4.963 3.699) 6.216 2.645 ( -0.849 -8.232 -6.222) 10.353 3.060 ( -0.007 -4.180 5.059) 6.562 3.162 ( -1.001 -1.191 -4.901) 5.142 3.586 ( -1.530 17.292 5.532) 18.219 3.647 ( -0.926 17.024 -1.087) 17.084 4.203 ( -11.986 4.309 20.286) 23.953 4.469 ( -8.248 1.820 26.151) 27.482 4.592 ( -7.074 4.414 -13.963) 16.263 4.793 ( 1.876 -1.055 10.608) 10.824 5.012 ( -2.180 0.666 -8.911) 9.198 5.067 ( -10.503 -2.254 -22.249) 24.707 5.123 ( -0.030 2.403 7.544) 7.917 5.361 ( 0.123 2.293 -12.134) 12.349 5.596 ( 10.226 -3.552 6.828) 12.799 5.780 ( 10.465 -4.017 -10.520) 15.372 6.461 ( 7.687 5.701 6.021) 11.307 6.593 ( 11.702 2.887 -5.812) 13.381 7.045 ( -3.780 -4.033 4.032) 6.842 7.132 ( -4.221 -5.798 -4.606) 8.523 7.592 ( 5.138 -2.765 15.686) 16.736 7.857 ( 7.185 -7.210 -8.311) 13.141 7.956 ( 8.721 2.058 2.869) 9.409 8.094 ( 5.206 1.500 -9.503) 10.939 9.220 ( -5.692 8.768 16.241) 19.314 9.536 ( -5.153 8.012 -14.034) 16.962 10.361 ( -2.655 -5.284 9.492) 11.183 10.509 ( 1.124 -4.712 -5.663) 7.452 10.814 ( 5.192 4.955 2.265) 7.526 10.890 ( 3.721 1.681 -5.137) 6.562 11.367 ( -0.134 -4.132 7.639) 8.686 11.585 ( -1.481 -4.737 -11.546) 12.568 11.951 ( -2.822 5.498 20.856) 21.752 12.207 ( -4.520 2.157 -1.138) 5.136 12.316 ( -0.518 4.050 -2.358) 4.715 12.466 ( -3.439 4.303 -17.261) 18.118 14.382 ( -1.935 -1.606 9.556) 9.881 14.534 ( -2.964 -2.436 -4.960) 6.271 14.733 ( 0.615 -2.409 3.670) 4.433 14.771 ( 0.959 -2.452 0.026) 2.633 15.855 ( -0.747 18.232 3.388) 18.559 15.913 ( -1.894 17.171 -2.285) 17.425 16.731 ( -16.408 2.592 19.137) 25.341 16.985 ( -13.543 -1.549 19.897) 24.118 17.150 ( -19.022 1.133 -20.147) 27.731 17.418 ( -15.128 -1.102 -21.453) 26.274 17.598 ( 10.313 -4.888 14.140) 18.171 17.855 ( 8.998 -7.069 -10.641) 15.626 22.317 ( 5.707 -1.983 17.317) 18.341 22.675 ( 1.101 -0.740 -16.928) 16.979 22.944 ( 3.026 -9.214 18.604) 20.980 23.323 ( 0.734 -9.229 -17.507) 19.805 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -4.800 5.682 0.496) 7.454 1.758 ( -5.467 5.727 -5.567) 9.679 2.024 ( -1.391 2.522 5.346) 6.073 2.080 ( -3.928 -0.545 -1.038) 4.099 2.278 ( 3.079 -4.661 -0.413) 5.602 2.325 ( 4.697 -5.621 -1.683) 7.516 2.371 ( 3.949 -0.829 6.620) 7.753 2.525 ( 1.090 -5.929 2.862) 6.673 2.555 ( 4.671 0.698 -6.538) 8.065 2.642 ( 1.023 -7.566 -7.573) 10.754 3.053 ( -1.083 -2.578 2.990) 4.094 3.130 ( -2.123 -0.768 -4.491) 5.026 3.527 ( -4.882 12.516 6.231) 14.809 3.620 ( -2.209 17.126 -3.001) 17.527 3.947 ( -12.039 7.072 15.447) 20.822 4.247 ( -13.083 -0.348 21.140) 24.864 4.324 ( -17.844 4.452 -17.869) 25.642 4.740 ( -17.427 -3.214 -22.436) 28.590 4.882 ( 6.467 -0.583 11.767) 13.439 5.068 ( 4.796 -1.039 -4.805) 6.867 5.221 ( 6.832 6.874 5.425) 11.107 5.383 ( 2.320 3.899 -8.306) 9.464 5.826 ( 11.545 -4.722 6.118) 13.893 5.973 ( 8.710 -5.422 -7.516) 12.719 6.650 ( 9.918 0.783 9.284) 13.608 6.829 ( 10.900 -1.300 -6.551) 12.783 6.995 ( -0.317 1.186 3.860) 4.050 7.059 ( -2.286 -2.219 -2.896) 4.305 7.698 ( 5.182 4.044 12.552) 14.169 7.946 ( 1.564 -2.221 -10.656) 10.997 8.162 ( 12.026 1.385 6.666) 13.819 8.318 ( 15.565 0.024 -7.359) 17.217 9.101 ( -4.816 7.625 12.557) 15.460 9.396 ( -8.420 9.223 -15.018) 19.532 10.251 ( -9.146 -6.375 14.023) 17.915 10.484 ( -4.982 -5.503 -8.827) 11.533 10.961 ( 9.644 2.019 1.098) 9.914 11.001 ( 7.680 0.770 -2.887) 8.241 11.384 ( 2.204 -2.911 5.774) 6.831 11.571 ( 0.706 -3.775 -11.675) 12.290 11.877 ( -4.415 3.394 20.833) 21.564 12.107 ( -5.377 1.334 0.733) 5.588 12.278 ( -3.557 2.178 -4.119) 5.862 12.373 ( -5.712 3.330 -15.483) 16.836 14.350 ( -0.933 -0.160 8.641) 8.693 14.478 ( -2.316 -0.958 -3.364) 4.195 14.740 ( -0.248 -2.718 3.487) 4.428 14.777 ( -0.465 -2.710 0.145) 2.753 15.806 ( -5.651 16.482 3.499) 17.772 15.855 ( -3.516 17.341 -1.329) 17.743 16.419 ( -13.231 5.369 11.095) 18.083 16.668 ( -16.928 -1.602 14.459) 22.320 16.738 ( -21.227 2.683 -18.990) 28.608 17.038 ( -21.882 -0.908 -20.876) 30.256 17.799 ( 9.420 -7.010 11.880) 16.703 18.003 ( 5.933 -8.705 -8.025) 13.243 22.434 ( 5.282 -1.683 11.440) 12.712 22.684 ( -0.562 -0.024 -12.781) 12.793 23.025 ( 4.890 -9.271 15.826) 18.982 23.336 ( 0.307 -9.162 -14.167) 16.874 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -6.415 10.959 -1.249) 12.760 1.628 ( -7.506 11.309 -5.797) 14.759 1.973 ( -2.999 1.948 0.280) 3.587 2.000 ( -3.739 0.091 -2.761) 4.649 2.384 ( 6.640 -4.958 4.966) 9.661 2.430 ( 2.364 -1.701 11.984) 12.333 2.437 ( 5.991 -6.934 1.433) 9.275 2.545 ( 2.249 -5.789 2.514) 6.700 2.641 ( 3.555 -4.025 -7.994) 9.630 2.688 ( 3.101 -2.965 -10.391) 11.242 3.005 ( -3.764 0.954 2.670) 4.712 3.084 ( -2.652 1.379 -5.000) 5.826 3.408 ( -5.621 0.239 6.139) 8.327 3.546 ( -5.328 9.254 -5.871) 12.186 3.744 ( -10.126 5.005 5.868) 12.728 3.952 ( -16.996 5.681 -14.532) 23.072 4.058 ( -5.462 8.771 14.900) 18.132 4.415 ( -14.798 -0.301 -18.845) 23.963 5.023 ( 7.398 0.435 9.424) 11.989 5.167 ( 4.302 -0.874 -3.411) 5.559 5.347 ( 5.510 7.290 2.667) 9.519 5.435 ( 2.410 4.838 -4.772) 7.210 6.020 ( 7.903 -6.631 4.952) 11.443 6.109 ( 4.932 -7.334 -3.197) 9.398 6.802 ( 5.141 -2.136 7.347) 9.218 6.938 ( 0.327 -2.120 -5.272) 5.691 7.052 ( 5.376 4.167 5.384) 8.674 7.106 ( 6.700 -1.569 1.525) 7.048 7.788 ( 4.006 11.079 6.569) 13.488 7.948 ( -0.840 5.544 -8.239) 9.965 8.384 ( 8.625 3.487 10.437) 13.981 8.579 ( 8.230 1.984 -6.290) 10.547 9.105 ( 5.761 2.677 2.863) 6.968 9.273 ( -0.272 4.605 -11.309) 12.214 10.005 ( -15.176 -6.354 15.132) 22.353 10.291 ( -14.265 -5.617 -12.090) 19.525 11.154 ( 9.326 0.511 2.026) 9.557 11.200 ( 11.869 0.776 -2.432) 12.141 11.449 ( 3.861 -1.411 5.688) 7.018 11.606 ( 1.564 -2.175 -8.620) 9.027 11.808 ( -1.182 0.332 15.878) 15.926 12.007 ( -4.355 -1.426 0.486) 4.608 12.173 ( -7.038 -0.405 -4.684) 8.464 12.250 ( -6.770 2.379 -11.399) 13.469 14.356 ( 1.577 0.909 7.123) 7.351 14.451 ( -0.479 0.139 -1.654) 1.728 14.721 ( -1.543 -2.677 2.944) 4.267 14.753 ( -1.837 -2.778 0.060) 3.331 15.643 ( -8.995 13.046 3.447) 16.217 15.756 ( -7.324 15.945 -5.985) 18.539 16.249 ( -4.561 9.771 2.628) 11.099 16.377 ( -11.669 -1.405 5.245) 12.871 16.383 ( -13.331 4.766 -10.658) 17.721 16.623 ( -18.903 -0.708 -17.294) 25.630 17.959 ( 6.822 -8.740 7.861) 13.592 18.088 ( 2.686 -9.860 -4.657) 11.230 22.511 ( 2.686 -0.795 5.761) 6.406 22.652 ( -2.512 0.497 -7.969) 8.370 23.124 ( 5.042 -9.164 10.613) 14.901 23.328 ( -1.202 -9.138 -9.102) 12.954 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -2.776 14.814 -2.761) 15.322 1.497 ( -4.561 14.986 -4.390) 16.269 1.933 ( -0.770 1.937 -2.672) 3.389 1.944 ( -1.790 1.413 -3.609) 4.269 2.459 ( 0.898 -2.053 12.735) 12.931 2.460 ( 0.954 -5.420 10.586) 11.931 2.573 ( 6.736 -3.002 3.932) 8.357 2.613 ( 2.768 -5.945 1.235) 6.673 2.696 ( 1.885 -4.175 -7.861) 9.099 2.730 ( -0.220 -1.876 -10.797) 10.961 2.948 ( 0.331 1.876 0.804) 2.068 3.017 ( -4.279 3.156 -5.348) 7.541 3.357 ( 0.527 -5.699 0.160) 5.726 3.426 ( -6.104 -3.017 -5.096) 8.505 3.585 ( -2.886 -1.599 -0.655) 3.364 3.672 ( -10.606 2.992 -8.653) 14.011 4.055 ( 3.714 16.458 2.843) 17.110 4.180 ( -9.055 9.952 -9.291) 16.351 5.152 ( 5.216 0.544 4.042) 6.621 5.210 ( -0.345 -0.216 -1.253) 1.317 5.431 ( 2.915 6.750 0.877) 7.405 5.460 ( -0.075 5.810 -1.763) 6.072 6.133 ( 3.606 -8.040 3.464) 9.468 6.163 ( 0.554 -8.377 0.767) 8.430 6.874 ( 2.827 0.276 2.646) 3.882 6.919 ( -1.681 0.385 -1.496) 2.283 7.165 ( 4.690 -0.325 7.440) 8.801 7.200 ( 1.646 -3.339 4.901) 6.155 7.860 ( 3.405 15.269 0.869) 15.669 7.918 ( -2.290 12.999 -4.183) 13.846 8.496 ( 4.665 5.736 3.334) 8.110 8.599 ( -4.598 5.796 -5.589) 9.272 9.280 ( 12.960 -1.792 7.770) 15.216 9.447 ( 7.954 -3.003 -3.226) 9.094 9.725 ( -6.848 -5.671 4.820) 10.114 9.956 ( -18.673 -5.353 -13.040) 23.396 11.324 ( 7.495 2.027 5.331) 9.418 11.393 ( 4.276 4.883 0.498) 6.510 11.500 ( 2.516 -4.246 3.556) 6.083 11.589 ( -3.288 -2.016 -3.098) 4.947 11.863 ( 5.955 -0.661 5.477) 8.118 11.981 ( 2.404 -5.104 -1.901) 5.953 12.017 ( -7.731 -0.375 -3.098) 8.337 12.107 ( -7.613 -0.518 -7.866) 10.959 14.402 ( 2.712 1.192 4.605) 5.475 14.442 ( -1.025 0.888 1.085) 1.737 14.696 ( -0.402 -2.656 1.682) 3.169 14.713 ( -1.853 -2.700 0.272) 3.286 15.528 ( -1.528 11.864 -2.767) 12.278 15.593 ( -7.437 12.836 -8.379) 17.038 16.202 ( -1.110 10.538 0.631) 10.615 16.223 ( -3.805 8.408 -3.026) 9.712 16.247 ( -0.807 -1.182 -4.127) 4.368 16.336 ( -9.744 0.039 -11.231) 14.869 18.065 ( 3.845 -9.835 3.468) 11.115 18.109 ( -0.599 -10.226 -0.799) 10.274 22.553 ( 1.956 0.210 0.891) 2.160 22.598 ( -2.679 0.690 -3.522) 4.479 23.217 ( 4.230 -9.177 4.062) 10.891 23.287 ( -2.905 -9.178 -2.812) 10.029 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 0.000 3.804 2.478) 4.540 1.927 ( 0.000 4.886 -7.119) 8.635 1.998 ( 0.000 -2.806 7.695) 8.191 2.163 ( 0.000 -2.451 5.100) 5.658 2.172 ( 0.000 2.073 6.053) 6.398 2.214 ( 0.000 -3.190 -11.441) 11.878 2.274 ( 0.000 -4.171 -3.601) 5.510 2.281 ( 0.000 -2.048 -4.690) 5.118 2.485 ( 0.000 -0.577 0.928) 1.093 2.543 ( 0.000 -1.691 -3.761) 4.124 2.924 ( 0.000 -6.253 5.236) 8.155 3.042 ( 0.000 -8.433 -5.968) 10.331 4.021 ( 0.000 17.212 2.390) 17.377 4.044 ( 0.000 15.989 -0.449) 15.995 4.446 ( 0.000 6.041 20.134) 21.021 4.661 ( 0.000 -1.430 9.528) 9.635 4.713 ( 0.000 10.330 26.489) 28.432 4.874 ( 0.000 7.532 -2.594) 7.966 5.061 ( 0.000 -1.424 6.422) 6.578 5.064 ( 0.000 -0.345 -11.442) 11.447 5.227 ( 0.000 -1.163 -5.006) 5.140 5.328 ( 0.000 -3.107 -12.139) 12.531 5.434 ( 0.000 -3.760 -12.918) 13.454 5.521 ( 0.000 -5.389 -10.521) 11.821 6.558 ( 0.000 4.661 2.022) 5.081 6.559 ( 0.000 6.277 2.137) 6.631 6.957 ( 0.000 -5.556 -1.063) 5.657 7.014 ( 0.000 -6.788 -5.988) 9.052 7.436 ( 0.000 -3.206 8.141) 8.749 7.569 ( 0.000 -8.643 -4.613) 9.797 7.951 ( 0.000 3.137 2.598) 4.074 8.041 ( 0.000 -1.215 -6.078) 6.198 9.499 ( 0.000 10.892 15.168) 18.673 9.718 ( 0.000 3.933 -4.894) 6.278 10.289 ( 0.000 -3.501 5.146) 6.224 10.383 ( 0.000 -5.555 -3.910) 6.793 10.927 ( 0.000 4.733 -1.982) 5.131 10.938 ( 0.000 9.931 -3.042) 10.386 11.239 ( 0.000 -7.248 6.703) 9.872 11.438 ( 0.000 -9.964 -10.689) 14.613 12.140 ( 0.000 7.816 11.400) 13.822 12.296 ( 0.000 1.051 -3.401) 3.559 12.457 ( 0.000 7.026 2.190) 7.360 12.586 ( 0.000 2.232 -9.645) 9.900 14.359 ( 0.000 -1.304 7.578) 7.689 14.469 ( 0.000 -5.307 -2.893) 6.044 14.687 ( 0.000 -1.464 2.662) 3.038 14.704 ( 0.000 -2.073 0.676) 2.180 16.371 ( 0.000 27.127 1.326) 27.159 16.386 ( 0.000 23.134 -0.025) 23.134 16.993 ( 0.000 3.278 20.069) 20.335 17.076 ( 0.000 -3.255 21.012) 21.263 17.272 ( 0.000 -7.811 7.563) 10.873 17.467 ( 0.000 -14.901 -8.043) 16.933 17.480 ( 0.000 0.778 -17.839) 17.855 17.552 ( 0.000 -2.359 -19.607) 19.748 22.239 ( 0.000 1.692 21.610) 21.676 22.584 ( 0.000 -9.300 7.666) 12.052 22.740 ( 0.000 -1.836 -7.595) 7.814 23.067 ( 0.000 -12.691 -19.571) 23.326 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.512 4.700 1.908) 5.098 1.926 ( -0.196 6.292 -5.991) 8.690 2.007 ( 1.044 -3.144 6.152) 6.988 2.109 ( -1.833 -0.275 5.025) 5.356 2.208 ( -2.449 -1.736 -5.109) 5.925 2.220 ( -0.044 -3.779 -10.976) 11.608 2.274 ( 5.450 -0.202 5.305) 7.608 2.346 ( 2.585 -6.719 -1.308) 7.317 2.479 ( -0.939 -1.337 0.796) 1.817 2.549 ( 1.722 0.202 -4.170) 4.516 2.928 ( 0.476 -5.975 4.862) 7.718 3.042 ( -0.202 -7.788 -5.783) 9.702 3.997 ( -3.151 17.251 4.385) 18.076 4.057 ( 0.372 16.246 -1.295) 16.302 4.329 ( -10.049 7.260 18.611) 22.362 4.509 ( -12.069 1.101 21.906) 25.035 4.712 ( -8.375 6.468 -12.750) 16.570 4.799 ( 0.192 2.787 13.683) 13.965 4.977 ( -7.148 -4.333 -14.460) 16.702 5.038 ( -11.011 -1.209 -9.334) 14.485 5.184 ( 8.464 3.964 5.257) 10.723 5.425 ( 3.199 3.746 -14.083) 14.920 5.479 ( 9.570 -7.272 6.699) 13.760 5.669 ( 8.979 -6.235 -10.513) 15.166 6.583 ( 3.767 4.763 5.074) 7.913 6.651 ( 6.958 1.760 -0.328) 7.185 6.953 ( 0.412 -3.531 -0.208) 3.561 6.998 ( -1.095 -5.548 -5.467) 7.866 7.547 ( 10.669 -0.948 7.563) 13.112 7.691 ( 10.805 -7.299 -6.385) 14.518 8.014 ( 6.184 2.734 2.818) 7.325 8.099 ( 6.114 -0.825 -5.404) 8.202 9.457 ( -4.337 12.365 15.912) 20.612 9.709 ( -1.416 6.016 -7.160) 9.458 10.234 ( -5.663 -5.092 7.965) 11.020 10.376 ( -1.058 -7.267 -5.487) 9.167 10.942 ( 2.027 5.171 -0.876) 5.623 10.968 ( 2.845 7.326 -3.433) 8.576 11.244 ( 0.838 -6.696 5.616) 8.779 11.428 ( -0.661 -9.505 -10.731) 14.350 12.104 ( -3.651 7.861 12.406) 15.134 12.263 ( -3.313 1.880 -2.639) 4.634 12.421 ( -3.641 5.216 1.141) 6.463 12.536 ( -4.844 1.487 -9.779) 11.014 14.355 ( -0.189 -0.356 7.177) 7.189 14.462 ( -0.636 -4.054 -3.005) 5.086 14.682 ( -0.274 -1.805 3.450) 3.903 14.712 ( 0.327 -2.664 0.463) 2.723 16.346 ( -3.468 23.460 3.032) 23.908 16.375 ( -1.139 24.786 -0.307) 24.814 16.804 ( -13.717 3.756 15.751) 21.222 16.956 ( -11.925 0.273 19.991) 23.279 17.160 ( -15.791 -1.422 -15.960) 22.496 17.391 ( -14.133 -1.067 -21.263) 25.554 17.431 ( 6.302 -11.023 9.184) 15.671 17.632 ( 5.688 -13.064 -9.895) 17.347 22.301 ( 5.624 1.508 19.280) 20.140 22.632 ( 4.354 -7.719 5.165) 10.257 22.746 ( 0.554 -2.944 -4.422) 5.341 23.076 ( 0.768 -12.705 -18.275) 22.270 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.024 7.452 0.835) 7.499 1.914 ( -1.098 8.437 -4.252) 9.512 2.026 ( -0.000 -2.064 2.944) 3.596 2.081 ( -1.881 0.544 2.607) 3.260 2.176 ( 0.327 -4.142 -2.622) 4.913 2.222 ( 0.924 -3.214 -7.868) 8.549 2.350 ( 1.647 -4.887 2.284) 5.640 2.383 ( 2.224 -7.546 0.020) 7.867 2.472 ( 1.184 -0.160 4.124) 4.294 2.613 ( 3.740 0.408 -5.235) 6.447 2.944 ( 1.045 -5.231 2.927) 6.085 3.029 ( -1.185 -6.345 -4.740) 8.008 3.817 ( -15.142 11.094 12.083) 22.324 3.993 ( -8.956 10.358 -0.054) 13.693 4.133 ( -13.499 9.705 5.928) 17.651 4.306 ( -4.049 7.931 9.260) 12.847 4.446 ( -14.348 6.658 -13.702) 20.926 4.660 ( -14.279 -3.729 -16.085) 21.829 4.898 ( 6.360 2.102 10.932) 12.821 5.049 ( 4.511 -1.475 -2.473) 5.352 5.351 ( 7.966 5.411 4.282) 10.539 5.485 ( 3.394 5.603 -7.796) 10.183 5.678 ( 9.187 -8.720 6.317) 14.154 5.818 ( 6.003 -8.664 -6.539) 12.404 6.685 ( 6.181 2.481 6.675) 9.429 6.802 ( 7.649 -1.530 -2.392) 8.159 6.982 ( 1.934 -2.201 0.670) 3.006 7.003 ( 2.362 -2.201 -1.571) 3.591 7.810 ( 14.720 5.430 4.586) 16.346 7.921 ( 11.312 -0.399 -5.983) 12.803 8.183 ( 10.797 1.041 4.687) 11.816 8.295 ( 13.818 -2.315 -5.911) 15.206 9.335 ( -7.521 13.624 15.438) 21.921 9.634 ( -6.730 10.908 -12.105) 17.630 10.066 ( -11.340 -9.339 13.864) 20.199 10.311 ( -6.524 -10.444 -9.195) 15.368 11.020 ( 6.113 3.320 0.374) 6.966 11.057 ( 6.582 4.735 -3.281) 8.747 11.287 ( 3.860 -5.464 3.956) 7.773 11.438 ( 2.274 -8.199 -10.129) 13.229 12.000 ( -6.695 7.513 13.922) 17.178 12.172 ( -5.851 3.265 -1.837) 6.948 12.313 ( -7.411 1.137 -0.002) 7.498 12.414 ( -7.135 -0.083 -10.030) 12.309 14.360 ( 0.855 1.394 6.280) 6.489 14.452 ( -0.156 -1.499 -2.435) 2.864 14.674 ( -0.721 -2.734 3.749) 4.696 14.708 ( -0.829 -3.335 0.519) 3.475 16.191 ( -12.346 15.811 8.694) 21.863 16.322 ( -5.285 22.234 -3.448) 23.112 16.555 ( -12.182 2.632 8.493) 15.082 16.699 ( -11.065 10.720 10.414) 18.596 16.809 ( -17.403 3.916 -15.462) 23.607 17.037 ( -19.619 2.681 -19.933) 28.097 17.563 ( 6.257 -15.316 8.647) 18.668 17.719 ( 3.323 -17.883 -6.606) 19.352 22.423 ( 5.937 1.578 13.923) 15.218 22.706 ( 1.315 1.762 -11.011) 11.228 22.780 ( 4.018 -11.416 12.656) 17.511 23.089 ( 0.345 -12.735 -14.642) 19.408 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -1.452 11.117 0.503) 11.222 1.878 ( -2.729 10.502 -3.424) 11.378 2.000 ( -1.964 1.253 -1.153) 2.599 2.018 ( -3.080 1.496 -1.545) 3.756 2.234 ( 4.810 -6.721 3.198) 8.861 2.303 ( 6.584 -4.828 0.675) 8.192 2.380 ( 2.377 -8.074 0.807) 8.455 2.436 ( 2.660 -4.146 2.491) 5.520 2.518 ( 3.550 -1.096 0.691) 3.779 2.672 ( 2.323 -1.178 -5.846) 6.400 2.960 ( 0.066 -3.830 0.374) 3.849 2.995 ( -2.212 -5.631 -2.816) 6.673 3.509 ( -13.867 6.571 8.523) 17.553 3.733 ( -14.575 -1.284 5.204) 15.530 3.781 ( -19.688 7.398 -10.173) 23.364 4.030 ( -21.119 -0.896 -17.398) 27.377 4.403 ( 5.207 19.888 6.106) 21.446 4.540 ( -0.257 12.370 -7.697) 14.572 5.030 ( 6.552 -0.350 8.284) 10.567 5.141 ( 3.973 -2.606 -2.203) 5.237 5.484 ( 5.475 5.409 2.664) 8.144 5.551 ( 2.939 5.890 -3.588) 7.497 5.826 ( 5.832 -10.715 4.585) 13.032 5.905 ( 2.985 -10.831 -2.628) 11.538 6.810 ( 6.141 2.469 5.919) 8.880 6.919 ( 3.631 0.012 -3.891) 5.322 7.039 ( 4.008 -3.779 4.173) 6.911 7.069 ( 3.465 -1.942 1.467) 4.234 8.069 ( 10.644 12.247 2.623) 16.437 8.135 ( 10.947 11.669 -3.570) 16.393 8.426 ( 13.081 -0.384 8.583) 15.650 8.585 ( 12.920 -2.354 -5.082) 14.082 9.214 ( -2.415 8.408 7.803) 11.722 9.456 ( -10.014 12.115 -13.658) 20.823 9.801 ( -15.059 -12.199 16.082) 25.184 10.103 ( -14.453 -12.067 -12.503) 22.601 11.174 ( 9.085 1.950 1.814) 9.467 11.231 ( 10.774 2.489 -3.762) 11.680 11.392 ( 6.345 -3.989 3.801) 8.403 11.520 ( 5.353 -6.241 -8.697) 11.969 11.863 ( -6.214 5.515 12.723) 15.196 12.037 ( -7.704 3.765 -2.327) 8.885 12.143 ( -9.282 -2.530 0.717) 9.647 12.260 ( -8.674 -1.779 -9.227) 12.788 14.392 ( 2.325 2.501 5.235) 6.251 14.461 ( 0.964 0.607 -1.197) 1.653 14.650 ( -1.668 -3.366 3.270) 4.981 14.680 ( -1.917 -3.676 0.485) 4.174 15.935 ( -11.469 12.258 5.765) 17.749 16.132 ( -13.400 14.826 -11.497) 23.056 16.297 ( -11.832 -3.920 4.492) 13.249 16.474 ( -13.904 -0.040 -11.119) 17.803 16.625 ( -2.061 23.032 1.049) 23.148 16.726 ( -9.577 16.413 -10.177) 21.556 17.671 ( 4.618 -18.478 5.628) 19.861 17.766 ( 1.467 -20.328 -3.700) 20.714 22.520 ( 3.971 2.412 7.864) 9.134 22.692 ( -1.973 3.829 -8.882) 9.872 22.878 ( 5.096 -12.667 10.304) 17.106 23.081 ( -1.248 -12.795 -9.368) 15.907 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -0.811 13.608 -0.454) 13.640 1.818 ( -2.555 13.347 -2.051) 13.743 1.976 ( 0.053 2.072 -1.794) 2.741 1.988 ( -0.871 2.449 -2.836) 3.847 2.329 ( 4.076 -5.982 8.293) 11.008 2.379 ( -0.429 -4.736 8.661) 9.881 2.447 ( 4.208 -8.932 2.313) 10.141 2.492 ( 1.314 -6.329 1.300) 6.594 2.627 ( 7.782 0.501 -3.328) 8.478 2.720 ( 1.535 0.357 -7.876) 8.032 2.911 ( -2.922 -4.353 2.141) 5.663 2.952 ( -3.482 -6.466 -2.694) 7.823 3.345 ( -1.710 3.461 -2.595) 4.652 3.446 ( -12.018 3.612 -9.570) 15.781 3.532 ( -3.556 -3.078 -3.236) 5.708 3.654 ( -14.898 -3.588 -12.764) 19.944 4.501 ( 3.950 23.081 2.221) 23.522 4.545 ( -0.501 21.357 -2.192) 21.475 5.139 ( 4.156 -3.018 3.628) 6.288 5.182 ( -0.054 -3.745 -0.473) 3.776 5.565 ( 2.702 5.547 1.111) 6.269 5.587 ( 0.493 5.789 -0.988) 5.894 5.909 ( 2.753 -11.714 2.854) 12.367 5.936 ( 0.094 -11.706 0.472) 11.715 6.910 ( 3.707 3.014 3.359) 5.840 6.949 ( -0.286 2.535 -0.335) 2.573 7.108 ( 2.295 -4.896 4.075) 6.771 7.118 ( 1.241 -3.744 3.110) 5.023 8.241 ( 7.069 17.957 4.619) 19.843 8.298 ( 3.216 20.753 0.706) 21.013 8.630 ( 6.913 5.020 4.854) 9.826 8.713 ( 0.166 2.707 -0.880) 2.851 9.268 ( 4.050 2.104 0.241) 4.571 9.370 ( 2.221 -2.818 -3.172) 4.789 9.537 ( -5.444 -11.454 4.040) 13.310 9.773 ( -17.978 -11.756 -13.290) 25.259 11.353 ( 8.495 1.607 3.998) 9.525 11.434 ( 6.149 -0.021 -2.710) 6.720 11.493 ( 3.431 0.876 2.408) 4.283 11.575 ( -1.035 -1.093 -3.492) 3.803 11.825 ( 2.713 -0.894 3.511) 4.526 11.896 ( -5.313 0.036 -0.354) 5.325 11.989 ( -3.915 -2.784 -0.169) 4.806 12.077 ( -9.292 -2.846 -6.944) 11.944 14.444 ( 2.631 2.733 3.693) 5.294 14.475 ( -0.143 2.218 0.931) 2.410 14.623 ( -0.540 -3.968 2.089) 4.517 14.639 ( -1.912 -3.912 0.639) 4.401 15.800 ( -1.530 11.920 -2.570) 12.289 15.884 ( -9.683 12.343 -10.433) 18.840 16.158 ( -1.805 -5.265 -2.362) 6.047 16.231 ( -8.985 -4.590 -9.242) 13.683 16.614 ( 0.327 25.507 -0.333) 25.512 16.633 ( -1.897 24.701 -2.517) 24.901 17.743 ( 2.708 -20.377 2.391) 20.694 17.775 ( -0.572 -21.032 -0.756) 21.053 22.586 ( 2.993 3.529 2.043) 5.058 22.643 ( -2.808 4.083 -3.508) 6.071 22.969 ( 4.139 -12.786 3.705) 13.941 23.040 ( -2.940 -12.866 -3.105) 13.558 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 -3.921 3.058) 4.972 1.918 ( 0.000 3.921 3.058) 4.972 2.067 ( 0.000 -6.687 -5.954) 8.953 2.067 ( 0.000 6.687 -5.954) 8.953 2.184 ( 0.000 -0.851 0.561) 1.019 2.184 ( 0.000 0.851 0.561) 1.019 2.234 ( 0.000 -1.146 -1.142) 1.618 2.234 ( 0.000 1.146 -1.142) 1.618 2.516 ( 0.000 -2.389 0.511) 2.443 2.516 ( 0.000 2.389 0.511) 2.443 2.890 ( 0.000 -4.043 -2.228) 4.616 2.890 ( 0.000 4.043 -2.228) 4.616 4.219 ( 0.000 -0.495 -0.079) 0.501 4.219 ( 0.000 0.495 -0.079) 0.501 4.576 ( 0.000 -5.725 18.467) 19.334 4.576 ( 0.000 5.725 18.467) 19.334 4.956 ( 0.000 -9.338 18.447) 20.676 4.956 ( 0.000 9.338 18.447) 20.676 5.033 ( 0.000 -3.143 -10.875) 11.320 5.033 ( 0.000 3.143 -10.875) 11.320 5.227 ( 0.000 -4.475 0.748) 4.537 5.227 ( 0.000 4.475 0.748) 4.537 5.423 ( 0.000 -2.812 -21.882) 22.061 5.423 ( 0.000 2.812 -21.882) 22.061 6.616 ( 0.000 -0.658 5.842) 5.879 6.616 ( 0.000 0.658 5.842) 5.879 6.920 ( 0.000 -2.021 -8.225) 8.469 6.920 ( 0.000 2.021 -8.225) 8.469 7.431 ( 0.000 -3.390 1.909) 3.890 7.431 ( 0.000 3.390 1.909) 3.890 8.006 ( 0.000 -2.076 -1.416) 2.513 8.006 ( 0.000 2.076 -1.416) 2.513 9.695 ( 0.000 -6.192 8.292) 10.349 9.695 ( 0.000 6.192 8.292) 10.349 10.282 ( 0.000 -3.007 -1.110) 3.206 10.282 ( 0.000 3.007 -1.110) 3.206 11.048 ( 0.000 -5.452 1.651) 5.697 11.048 ( 0.000 5.452 1.651) 5.697 11.207 ( 0.000 -10.110 -7.360) 12.506 11.207 ( 0.000 10.110 -7.360) 12.506 12.272 ( 0.000 -3.844 3.122) 4.952 12.272 ( 0.000 3.844 3.122) 4.952 12.574 ( 0.000 -3.357 -2.029) 3.922 12.574 ( 0.000 3.357 -2.029) 3.922 14.374 ( 0.000 -2.916 2.159) 3.628 14.374 ( 0.000 2.916 2.159) 3.628 14.676 ( 0.000 -0.455 1.600) 1.663 14.676 ( 0.000 0.455 1.600) 1.663 16.768 ( 0.000 -4.534 6.010) 7.528 16.768 ( 0.000 4.534 6.010) 7.528 17.075 ( 0.000 -5.392 -0.018) 5.392 17.075 ( 0.000 5.392 -0.018) 5.392 17.099 ( 0.000 -2.474 16.899) 17.079 17.099 ( 0.000 2.474 16.899) 17.079 17.511 ( 0.000 -1.809 -20.858) 20.936 17.511 ( 0.000 1.809 -20.858) 20.936 22.354 ( 0.000 -9.162 20.782) 22.712 22.354 ( 0.000 9.162 20.782) 22.712 22.830 ( 0.000 -8.523 -19.820) 21.575 22.830 ( 0.000 8.523 -19.820) 21.575 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 1.373 -3.827 3.706) 5.502 1.931 ( 1.373 3.827 3.706) 5.502 2.082 ( 1.496 -6.600 -5.865) 8.956 2.082 ( 1.496 6.600 -5.865) 8.956 2.161 ( -2.284 -2.141 -1.221) 3.360 2.161 ( -2.284 2.141 -1.221) 3.360 2.254 ( 1.083 -0.350 -1.980) 2.284 2.254 ( 1.083 0.350 -1.980) 2.284 2.522 ( 1.104 -3.505 2.807) 4.624 2.522 ( 1.104 3.505 2.807) 4.624 2.899 ( 0.867 -3.982 -2.519) 4.791 2.899 ( 0.867 3.982 -2.519) 4.791 4.210 ( -3.011 -1.991 3.836) 5.268 4.210 ( -3.011 1.991 3.836) 5.268 4.474 ( -7.902 -4.837 15.575) 18.122 4.474 ( -7.902 4.837 15.575) 18.122 4.852 ( -11.802 -5.968 -14.261) 19.450 4.852 ( -11.802 5.968 -14.261) 19.450 4.942 ( -4.076 -7.323 7.755) 11.418 4.942 ( -4.076 7.323 7.755) 11.418 5.311 ( 8.983 -7.631 4.255) 12.531 5.311 ( 8.983 7.631 4.255) 12.531 5.529 ( 6.597 -6.168 -13.242) 16.029 5.529 ( 6.597 6.168 -13.242) 16.029 6.650 ( 3.426 -1.676 5.128) 6.391 6.650 ( 3.426 1.676 5.128) 6.391 6.926 ( 1.021 -1.095 -5.859) 6.047 6.926 ( 1.021 1.095 -5.859) 6.047 7.571 ( 13.195 -3.512 0.180) 13.656 7.571 ( 13.195 3.512 0.180) 13.656 8.066 ( 5.963 -2.109 -1.163) 6.431 8.066 ( 5.963 2.109 -1.163) 6.431 9.692 ( -0.891 -7.879 9.477) 12.357 9.692 ( -0.891 7.879 9.477) 12.357 10.231 ( -5.302 -5.053 -2.535) 7.750 10.231 ( -5.302 5.053 -2.535) 7.750 11.054 ( 0.941 -4.636 1.253) 4.893 11.054 ( 0.941 4.636 1.253) 4.893 11.214 ( 1.006 -8.762 -6.921) 11.211 11.214 ( 1.006 8.762 -6.921) 11.211 12.242 ( -3.039 -4.179 4.168) 6.639 12.242 ( -3.039 4.179 4.168) 6.639 12.516 ( -5.667 -3.154 -2.964) 7.131 12.516 ( -5.667 3.154 -2.964) 7.131 14.382 ( 0.822 -2.875 1.986) 3.589 14.382 ( 0.822 2.875 1.986) 3.589 14.672 ( -0.481 -0.857 1.770) 2.024 14.672 ( -0.481 0.857 1.770) 2.024 16.680 ( -9.407 -5.258 9.852) 14.602 16.680 ( -9.407 5.258 9.852) 14.602 16.971 ( -7.868 -14.617 0.932) 16.626 16.971 ( -7.868 14.617 0.932) 16.626 17.134 ( 1.113 -13.957 7.327) 15.802 17.134 ( 1.113 13.957 7.327) 15.802 17.415 ( -8.113 -4.807 -18.051) 20.366 17.415 ( -8.113 4.807 -18.051) 20.366 22.411 ( 5.239 -8.885 19.437) 22.004 22.411 ( 5.239 8.885 19.437) 22.004 22.837 ( 0.598 -8.692 -18.562) 20.505 22.837 ( 0.598 8.692 -18.562) 20.505 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 1.448 -3.198 4.940) 6.061 1.964 ( 1.448 3.198 4.940) 6.061 2.094 ( -1.824 -4.766 -3.321) 6.088 2.094 ( -1.824 4.766 -3.321) 6.088 2.139 ( 2.050 -6.894 -5.554) 9.087 2.139 ( 2.050 6.894 -5.554) 9.087 2.255 ( -0.157 -2.465 -2.525) 3.532 2.255 ( -0.157 2.465 -2.525) 3.532 2.561 ( 2.289 -5.127 4.943) 7.481 2.561 ( 2.289 5.127 4.943) 7.481 2.917 ( 0.732 -3.048 -2.916) 4.282 2.917 ( 0.732 3.048 -2.916) 4.282 3.988 ( -17.461 -5.412 14.112) 23.094 3.988 ( -17.461 5.412 14.112) 23.094 4.351 ( -13.630 -6.343 -11.855) 19.145 4.351 ( -13.630 6.343 -11.855) 19.145 4.591 ( -2.807 -4.687 -4.225) 6.906 4.591 ( -2.807 4.687 -4.225) 6.906 4.977 ( 3.999 -4.892 4.999) 8.057 4.977 ( 3.999 4.892 4.999) 8.057 5.486 ( 8.026 -7.736 4.835) 12.150 5.486 ( 8.026 7.736 4.835) 12.150 5.632 ( 3.957 -7.868 -7.051) 11.282 5.632 ( 3.957 7.868 -7.051) 11.282 6.749 ( 6.453 -3.244 4.002) 8.257 6.749 ( 6.453 3.244 4.002) 8.257 6.964 ( 2.609 -0.938 -2.394) 3.663 6.964 ( 2.609 0.938 -2.394) 3.663 7.897 ( 18.707 -2.489 -0.624) 18.882 7.897 ( 18.707 2.489 -0.624) 18.882 8.229 ( 10.400 -3.245 -1.293) 10.971 8.229 ( 10.400 3.245 -1.293) 10.971 9.632 ( -5.821 -11.997 12.281) 18.129 9.632 ( -5.821 11.997 12.281) 18.129 10.069 ( -11.168 -10.493 -7.070) 16.877 10.069 ( -11.168 10.493 -7.070) 16.877 11.105 ( 4.702 -3.456 0.788) 5.888 11.105 ( 4.702 3.456 0.788) 5.888 11.263 ( 4.208 -6.372 -5.771) 9.571 11.263 ( 4.208 6.372 -5.771) 9.571 12.151 ( -6.226 -5.391 6.866) 10.723 12.151 ( -6.226 5.391 6.866) 10.723 12.368 ( -8.935 -3.615 -5.616) 11.156 12.368 ( -8.935 3.615 -5.616) 11.156 14.407 ( 1.717 -2.609 1.797) 3.603 14.407 ( 1.717 2.609 1.797) 3.603 14.655 ( -1.309 -1.127 1.963) 2.615 14.655 ( -1.309 1.127 1.963) 2.615 16.421 ( -15.307 -6.634 11.383) 20.196 16.421 ( -15.307 6.634 11.383) 20.196 16.738 ( -16.358 -7.912 -12.066) 21.812 16.738 ( -16.358 7.912 -12.066) 21.812 17.151 ( 1.014 -21.902 4.330) 22.349 17.151 ( 1.014 21.902 4.330) 22.349 17.285 ( -3.849 -19.772 -8.393) 21.821 17.285 ( -3.849 19.772 -8.393) 21.821 22.530 ( 6.146 -8.621 15.445) 18.725 22.530 ( 6.146 8.621 15.445) 18.725 22.846 ( 0.098 -9.134 -14.861) 17.444 22.846 ( 0.098 9.134 -14.861) 17.444 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -0.519 -0.922 2.153) 2.399 1.968 ( -0.519 0.922 2.153) 2.399 2.069 ( -1.306 -2.644 -3.054) 4.245 2.069 ( -1.306 2.644 -3.054) 4.245 2.186 ( 3.207 -7.634 1.471) 8.410 2.186 ( 3.207 7.634 1.471) 8.410 2.299 ( 4.468 -4.974 -4.158) 7.874 2.299 ( 4.468 4.974 -4.158) 7.874 2.600 ( 2.148 -5.242 4.267) 7.092 2.600 ( 2.148 5.242 4.267) 7.092 2.920 ( -0.762 -1.142 -3.230) 3.510 2.920 ( -0.762 1.142 -3.230) 3.510 3.640 ( -16.039 -5.557 9.563) 19.483 3.640 ( -16.039 5.557 9.563) 19.483 3.941 ( -22.621 -6.295 -18.176) 29.693 3.941 ( -22.621 6.295 -18.176) 29.693 4.713 ( 9.638 -3.868 0.612) 10.403 4.713 ( 9.638 3.868 0.612) 10.403 5.041 ( 1.598 -4.401 2.794) 5.452 5.041 ( 1.598 4.401 2.794) 5.452 5.616 ( 5.189 -7.951 3.937) 10.278 5.616 ( 5.189 7.951 3.937) 10.278 5.694 ( 2.442 -8.187 -3.273) 9.149 5.694 ( 2.442 8.187 -3.273) 9.149 6.884 ( 6.671 -3.700 3.346) 8.330 6.884 ( 6.671 3.700 3.346) 8.330 7.014 ( 2.086 -1.980 0.205) 2.883 7.014 ( 2.086 1.980 0.205) 2.883 8.261 ( 17.414 -4.780 3.778) 18.449 8.261 ( 17.414 4.780 3.778) 18.449 8.466 ( 13.211 -7.397 -3.423) 15.523 8.466 ( 13.211 7.397 -3.423) 15.523 9.466 ( -10.097 -13.753 12.400) 21.092 9.466 ( -10.097 13.753 12.400) 21.092 9.801 ( -15.556 -14.844 -11.717) 24.487 9.801 ( -15.556 14.844 -11.717) 24.487 11.242 ( 8.905 -3.509 1.003) 9.624 11.242 ( 8.905 3.509 1.003) 9.624 11.378 ( 7.162 -5.316 -4.777) 10.118 11.378 ( 7.162 5.316 -4.777) 10.118 12.007 ( -7.900 -6.547 8.304) 13.200 12.007 ( -7.900 6.547 8.304) 13.200 12.179 ( -10.109 -5.162 -7.411) 13.556 12.179 ( -10.109 5.162 -7.411) 13.556 14.450 ( 2.612 -2.191 1.845) 3.876 14.450 ( 2.612 2.191 1.845) 3.876 14.619 ( -2.279 -1.215 1.850) 3.177 14.619 ( -2.279 1.215 1.850) 3.177 16.144 ( -11.452 -7.601 5.686) 14.875 16.144 ( -11.452 7.601 5.686) 14.875 16.383 ( -17.794 -6.941 -14.859) 24.199 16.383 ( -17.794 6.941 -14.859) 24.199 17.179 ( 1.712 -23.769 2.389) 23.951 17.179 ( 1.712 23.770 2.389) 23.951 17.247 ( -0.816 -24.685 -3.006) 24.881 17.247 ( -0.816 24.685 -3.006) 24.881 22.638 ( 4.833 -8.844 9.458) 13.821 22.638 ( 4.833 8.844 9.458) 13.821 22.834 ( -1.439 -9.543 -9.357) 13.443 22.834 ( -1.439 9.543 -9.357) 13.443 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 1.588 -0.659 -0.502) 1.791 1.976 ( 1.588 0.659 -0.502) 1.791 2.024 ( -2.835 -0.634 -1.828) 3.433 2.024 ( -2.835 0.634 -1.828) 3.433 2.279 ( 5.428 -4.064 5.216) 8.555 2.279 ( 5.428 4.064 5.216) 8.555 2.353 ( -0.786 -4.004 2.346) 4.707 2.353 ( -0.786 4.004 2.346) 4.707 2.693 ( 8.043 -3.758 -1.112) 8.947 2.693 ( 8.043 3.758 -1.112) 8.947 2.858 ( -6.436 -1.526 -2.604) 7.108 2.858 ( -6.436 1.526 -2.604) 7.108 3.435 ( -2.813 -4.266 -1.771) 5.408 3.435 ( -2.813 4.266 -1.771) 5.408 3.558 ( -14.530 -4.833 -13.175) 20.201 3.558 ( -14.530 4.833 -13.175) 20.201 4.897 ( 8.348 -3.801 0.575) 9.190 4.897 ( 8.348 3.801 0.575) 9.190 5.020 ( -3.829 -4.038 1.234) 5.700 5.020 ( -3.829 4.038 1.234) 5.700 5.693 ( 2.796 -7.415 2.262) 8.242 5.693 ( 2.796 7.415 2.262) 8.242 5.721 ( 0.057 -7.478 -0.251) 7.482 5.721 ( 0.057 7.478 -0.251) 7.482 6.991 ( 3.937 -3.382 2.796) 5.895 6.991 ( 3.937 3.382 2.796) 5.895 7.033 ( -0.409 -2.741 1.858) 3.337 7.033 ( -0.409 2.741 1.858) 3.337 8.559 ( 12.390 -9.255 8.572) 17.682 8.559 ( 12.390 9.255 8.572) 17.682 8.670 ( 3.786 -7.671 1.489) 8.683 8.670 ( 3.786 7.671 1.489) 8.683 9.324 ( -0.632 -5.352 1.182) 5.517 9.324 ( -0.632 5.352 1.182) 5.517 9.491 ( -14.702 -12.912 -11.476) 22.684 9.491 ( -14.702 12.912 -11.476) 22.684 11.422 ( 8.283 -4.458 1.474) 9.521 11.422 ( 8.283 4.458 1.474) 9.521 11.497 ( 2.470 -4.662 -2.588) 5.877 11.497 ( 2.470 4.662 -2.588) 5.877 11.890 ( -1.663 -5.301 3.719) 6.685 11.890 ( -1.663 5.301 3.719) 6.685 11.983 ( -9.134 -5.370 -5.072) 11.747 11.983 ( -9.134 5.370 -5.072) 11.747 14.507 ( 3.092 -1.774 1.843) 4.013 14.507 ( 3.092 1.774 1.843) 4.013 14.567 ( -2.948 -1.419 1.727) 3.699 14.567 ( -2.948 1.419 1.727) 3.699 16.012 ( -1.383 -7.922 -2.560) 8.440 16.012 ( -1.383 7.922 -2.560) 8.440 16.099 ( -10.080 -7.584 -10.234) 16.244 16.099 ( -10.080 7.584 -10.234) 16.244 17.212 ( 1.448 -24.566 0.805) 24.622 17.212 ( 1.448 24.566 0.805) 24.622 17.234 ( -0.787 -25.060 -0.817) 25.086 17.234 ( -0.787 25.060 -0.817) 25.086 22.722 ( 3.835 -9.291 2.965) 10.479 22.722 ( 3.835 9.291 2.965) 10.479 22.790 ( -2.941 -9.598 -3.272) 10.558 22.790 ( -2.941 9.598 -3.272) 10.558 =================== 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 3/29160 10.0 1433.182 1067.445 2002.858 0.000 0.000 0.000 3/29160 20.0 264.248 234.292 249.544 0.000 0.000 0.000 3/29160 30.0 106.734 106.683 98.676 0.000 0.000 0.000 3/29160 40.0 60.013 61.761 56.318 0.000 0.000 0.000 3/29160 50.0 40.047 41.584 38.186 0.000 0.000 0.000 3/29160 60.0 29.590 30.790 28.569 0.000 0.000 0.000 3/29160 70.0 23.335 24.260 22.735 0.000 0.000 -0.000 3/29160 80.0 19.231 19.950 18.859 0.000 0.000 -0.000 3/29160 90.0 16.352 16.918 16.110 0.000 0.000 -0.000 3/29160 100.0 14.229 14.681 14.065 0.000 0.000 -0.000 3/29160 110.0 12.601 12.968 12.488 0.000 0.000 -0.000 3/29160 120.0 11.314 11.617 11.236 0.000 0.000 -0.000 3/29160 130.0 10.272 10.527 10.219 0.000 0.000 -0.000 3/29160 140.0 9.411 9.629 9.377 0.000 0.000 -0.000 3/29160 150.0 8.688 8.877 8.668 0.000 0.000 -0.000 3/29160 160.0 8.072 8.238 8.063 0.000 0.000 -0.000 3/29160 170.0 7.540 7.689 7.541 0.000 0.000 -0.000 3/29160 180.0 7.077 7.211 7.086 0.000 0.000 -0.000 3/29160 190.0 6.670 6.792 6.685 0.000 0.000 -0.000 3/29160 200.0 6.309 6.421 6.329 0.000 0.000 -0.000 3/29160 210.0 5.987 6.090 6.011 0.000 0.000 -0.000 3/29160 220.0 5.697 5.793 5.725 0.000 0.000 -0.000 3/29160 230.0 5.435 5.525 5.466 0.000 0.000 -0.000 3/29160 240.0 5.197 5.282 5.230 0.000 0.000 -0.000 3/29160 250.0 4.980 5.060 5.015 0.000 0.000 -0.000 3/29160 260.0 4.780 4.857 4.817 0.000 0.000 -0.000 3/29160 270.0 4.597 4.670 4.635 0.000 0.000 -0.000 3/29160 280.0 4.428 4.497 4.467 0.000 0.000 -0.000 3/29160 290.0 4.271 4.337 4.311 0.000 0.000 -0.000 3/29160 300.0 4.125 4.189 4.165 0.000 0.000 -0.000 3/29160 310.0 3.989 4.050 4.030 0.000 0.000 -0.000 3/29160 320.0 3.862 3.921 3.903 0.000 0.000 -0.000 3/29160 330.0 3.743 3.799 3.784 0.000 0.000 -0.000 3/29160 340.0 3.631 3.686 3.672 0.000 0.000 -0.000 3/29160 350.0 3.526 3.579 3.567 0.000 0.000 -0.000 3/29160 360.0 3.427 3.478 3.468 0.000 0.000 -0.000 3/29160 370.0 3.334 3.383 3.374 0.000 0.000 -0.000 3/29160 380.0 3.245 3.293 3.286 0.000 0.000 -0.000 3/29160 390.0 3.161 3.207 3.201 0.000 0.000 -0.000 3/29160 400.0 3.082 3.126 3.122 0.000 0.000 -0.000 3/29160 410.0 3.006 3.049 3.046 0.000 0.000 -0.000 3/29160 420.0 2.934 2.976 2.973 0.000 0.000 -0.000 3/29160 430.0 2.866 2.907 2.905 0.000 0.000 -0.000 3/29160 440.0 2.800 2.840 2.839 0.000 0.000 -0.000 3/29160 450.0 2.738 2.777 2.776 0.000 0.000 -0.000 3/29160 460.0 2.678 2.716 2.716 0.000 0.000 -0.000 3/29160 470.0 2.621 2.658 2.658 0.000 0.000 -0.000 3/29160 480.0 2.566 2.602 2.603 0.000 0.000 -0.000 3/29160 490.0 2.514 2.549 2.550 0.000 0.000 -0.000 3/29160 500.0 2.464 2.498 2.500 0.000 0.000 -0.000 3/29160 510.0 2.415 2.449 2.451 0.000 0.000 -0.000 3/29160 520.0 2.369 2.402 2.404 0.000 0.000 -0.000 3/29160 530.0 2.324 2.356 2.359 0.000 0.000 -0.000 3/29160 540.0 2.281 2.313 2.316 0.000 0.000 -0.000 3/29160 550.0 2.240 2.270 2.274 0.000 0.000 -0.000 3/29160 560.0 2.200 2.230 2.233 0.000 0.000 -0.000 3/29160 570.0 2.161 2.191 2.194 0.000 0.000 -0.000 3/29160 580.0 2.124 2.153 2.157 0.000 0.000 -0.000 3/29160 590.0 2.088 2.116 2.120 0.000 0.000 -0.000 3/29160 600.0 2.053 2.081 2.085 0.000 0.000 -0.000 3/29160 610.0 2.020 2.047 2.051 0.000 0.000 -0.000 3/29160 620.0 1.987 2.014 2.018 0.000 0.000 -0.000 3/29160 630.0 1.956 1.982 1.986 0.000 0.000 -0.000 3/29160 640.0 1.925 1.951 1.956 0.000 0.000 -0.000 3/29160 650.0 1.896 1.921 1.926 0.000 0.000 -0.000 3/29160 660.0 1.867 1.892 1.897 0.000 0.000 -0.000 3/29160 670.0 1.839 1.864 1.868 0.000 0.000 -0.000 3/29160 680.0 1.812 1.836 1.841 0.000 0.000 -0.000 3/29160 690.0 1.786 1.810 1.815 0.000 0.000 -0.000 3/29160 700.0 1.760 1.784 1.789 0.000 0.000 -0.000 3/29160 710.0 1.736 1.759 1.764 0.000 0.000 -0.000 3/29160 720.0 1.712 1.734 1.739 0.000 0.000 -0.000 3/29160 730.0 1.688 1.710 1.716 0.000 0.000 -0.000 3/29160 740.0 1.665 1.687 1.693 0.000 0.000 -0.000 3/29160 750.0 1.643 1.665 1.670 0.000 0.000 -0.000 3/29160 760.0 1.622 1.643 1.648 0.000 0.000 -0.000 3/29160 770.0 1.601 1.622 1.627 0.000 0.000 -0.000 3/29160 780.0 1.580 1.601 1.606 0.000 0.000 -0.000 3/29160 790.0 1.560 1.581 1.586 0.000 0.000 -0.000 3/29160 800.0 1.541 1.561 1.566 0.000 0.000 -0.000 3/29160 810.0 1.522 1.542 1.547 0.000 0.000 -0.000 3/29160 820.0 1.503 1.523 1.528 0.000 0.000 -0.000 3/29160 830.0 1.485 1.505 1.510 0.000 0.000 -0.000 3/29160 840.0 1.467 1.487 1.492 0.000 0.000 -0.000 3/29160 850.0 1.450 1.469 1.474 0.000 0.000 -0.000 3/29160 860.0 1.433 1.452 1.457 0.000 0.000 -0.000 3/29160 870.0 1.417 1.435 1.441 0.000 0.000 -0.000 3/29160 880.0 1.401 1.419 1.424 0.000 0.000 -0.000 3/29160 890.0 1.385 1.403 1.408 0.000 0.000 -0.000 3/29160 900.0 1.370 1.388 1.393 0.000 0.000 -0.000 3/29160 910.0 1.355 1.372 1.378 0.000 0.000 -0.000 3/29160 920.0 1.340 1.357 1.363 0.000 0.000 -0.000 3/29160 930.0 1.326 1.343 1.348 0.000 0.000 -0.000 3/29160 940.0 1.312 1.329 1.334 0.000 0.000 -0.000 3/29160 950.0 1.298 1.315 1.320 0.000 0.000 -0.000 3/29160 960.0 1.284 1.301 1.306 0.000 0.000 -0.000 3/29160 970.0 1.271 1.288 1.293 0.000 0.000 -0.000 3/29160 980.0 1.258 1.274 1.280 0.000 0.000 -0.000 3/29160 990.0 1.246 1.262 1.267 0.000 0.000 -0.000 3/29160 1000.0 1.233 1.249 1.254 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:48:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|