----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:36:03]------------------------- 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: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62m (189) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.823490342387375 0.000000000000000 0.000000000000000 b -4.411745171193687 7.641366786554121 0.000000000000000 c 0.000000000000000 0.000000000000000 3.910854270000000 Atomic positions (fractional): *1 B 0.33333333333333 0.66666666666667 0.00000000000000 10.811 2 B 0.66666666666667 0.33333333333333 0.00000000000000 10.811 *3 O 0.50236805507078 0.18840961287679 0.00000000000000 15.999 4 O 0.18840961287679 0.50236805507078 0.00000000000000 15.999 5 O 0.31395844219399 0.81159038712321 0.00000000000000 15.999 6 O 0.49763194492922 0.68604155780601 0.00000000000000 15.999 7 O 0.68604155780601 0.49763194492922 0.00000000000000 15.999 8 O 0.81159038712321 0.31395844219399 0.00000000000000 15.999 *9 O 0.00000000000000 0.26417777757504 0.50000000000000 15.999 10 O 0.73582222242496 0.73582222242496 0.50000000000000 15.999 11 O 0.26417777757504 0.00000000000000 0.50000000000000 15.999 *12 O 0.00000000000000 0.82125489856131 0.00000000000000 15.999 13 O 0.17874510143869 0.17874510143869 0.00000000000000 15.999 14 O 0.82125489856131 0.00000000000000 0.00000000000000 15.999 *15 K 0.00000000000000 0.59632229801157 0.50000000000000 39.098 16 K 0.40367770198843 0.40367770198843 0.50000000000000 39.098 17 K 0.59632229801157 0.00000000000000 0.50000000000000 39.098 *18 Ta 0.00000000000000 0.24663242799864 0.00000000000000 180.948 19 Ta 0.75336757200136 0.75336757200136 0.00000000000000 180.948 20 Ta 0.24663242799864 0.00000000000000 0.00000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.823490342387375 0.000000000000000 0.000000000000000 b -4.411745171193687 7.641366786554121 0.000000000000000 c 0.000000000000000 0.000000000000000 3.910854270000000 Atomic positions (fractional): *1 B 0.33333333333333 0.66666666666667 0.00000000000000 10.811 > 1 2 B 0.66666666666667 0.33333333333333 0.00000000000000 10.811 > 2 *3 O 0.50236805507078 0.18840961287679 0.00000000000000 15.999 > 3 4 O 0.18840961287679 0.50236805507078 0.00000000000000 15.999 > 4 5 O 0.31395844219399 0.81159038712321 0.00000000000000 15.999 > 5 6 O 0.49763194492922 0.68604155780601 0.00000000000000 15.999 > 6 7 O 0.68604155780601 0.49763194492922 0.00000000000000 15.999 > 7 8 O 0.81159038712321 0.31395844219399 0.00000000000000 15.999 > 8 *9 O 0.00000000000000 0.26417777757504 0.50000000000000 15.999 > 9 10 O 0.73582222242496 0.73582222242496 0.50000000000000 15.999 > 10 11 O 0.26417777757504 0.00000000000000 0.50000000000000 15.999 > 11 *12 O 0.00000000000000 0.82125489856131 0.00000000000000 15.999 > 12 13 O 0.17874510143869 0.17874510143869 0.00000000000000 15.999 > 13 14 O 0.82125489856131 0.00000000000000 0.00000000000000 15.999 > 14 *15 K 0.00000000000000 0.59632229801157 0.50000000000000 39.098 > 15 16 K 0.40367770198843 0.40367770198843 0.50000000000000 39.098 > 16 17 K 0.59632229801157 0.00000000000000 0.50000000000000 39.098 > 17 *18 Ta 0.00000000000000 0.24663242799864 0.00000000000000 180.948 > 18 19 Ta 0.75336757200136 0.75336757200136 0.00000000000000 180.948 > 19 20 Ta 0.24663242799864 0.00000000000000 0.00000000000000 180.948 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.823490342387375 0.000000000000000 0.000000000000000 b -4.411745171193687 7.641366786554121 0.000000000000000 c 0.000000000000000 0.000000000000000 11.732562810000001 Atomic positions (fractional): *1 B 0.33333333333333 0.66666666666667 0.00000000000000 10.811 > 1 2 B 0.33333333333333 0.66666666666667 0.33333333333333 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.66666666666667 10.811 > 1 4 B 0.66666666666667 0.33333333333333 0.00000000000000 10.811 > 2 5 B 0.66666666666667 0.33333333333333 0.33333333333333 10.811 > 2 6 B 0.66666666666667 0.33333333333333 0.66666666666667 10.811 > 2 *7 O 0.50236805507078 0.18840961287679 0.00000000000000 15.999 > 3 8 O 0.50236805507078 0.18840961287679 0.33333333333333 15.999 > 3 9 O 0.50236805507078 0.18840961287679 0.66666666666667 15.999 > 3 10 O 0.18840961287679 0.50236805507078 0.00000000000000 15.999 > 4 11 O 0.18840961287679 0.50236805507078 0.33333333333333 15.999 > 4 12 O 0.18840961287679 0.50236805507078 0.66666666666667 15.999 > 4 13 O 0.31395844219399 0.81159038712321 0.00000000000000 15.999 > 5 14 O 0.31395844219399 0.81159038712321 0.33333333333333 15.999 > 5 15 O 0.31395844219399 0.81159038712321 0.66666666666667 15.999 > 5 16 O 0.49763194492922 0.68604155780601 0.00000000000000 15.999 > 6 17 O 0.49763194492922 0.68604155780601 0.33333333333333 15.999 > 6 18 O 0.49763194492922 0.68604155780601 0.66666666666667 15.999 > 6 19 O 0.68604155780601 0.49763194492922 0.00000000000000 15.999 > 7 20 O 0.68604155780601 0.49763194492922 0.33333333333333 15.999 > 7 21 O 0.68604155780601 0.49763194492922 0.66666666666667 15.999 > 7 22 O 0.81159038712321 0.31395844219399 0.00000000000000 15.999 > 8 23 O 0.81159038712321 0.31395844219399 0.33333333333333 15.999 > 8 24 O 0.81159038712321 0.31395844219399 0.66666666666667 15.999 > 8 *25 O 0.00000000000000 0.26417777757504 0.16666666666667 15.999 > 9 26 O 0.00000000000000 0.26417777757504 0.50000000000000 15.999 > 9 27 O 0.00000000000000 0.26417777757504 0.83333333333333 15.999 > 9 28 O 0.73582222242496 0.73582222242496 0.16666666666667 15.999 > 10 29 O 0.73582222242496 0.73582222242496 0.50000000000000 15.999 > 10 30 O 0.73582222242496 0.73582222242496 0.83333333333333 15.999 > 10 31 O 0.26417777757504 0.00000000000000 0.16666666666667 15.999 > 11 32 O 0.26417777757504 0.00000000000000 0.50000000000000 15.999 > 11 33 O 0.26417777757504 0.00000000000000 0.83333333333333 15.999 > 11 *34 O 0.00000000000000 0.82125489856131 0.00000000000000 15.999 > 12 35 O 0.00000000000000 0.82125489856131 0.33333333333333 15.999 > 12 36 O 0.00000000000000 0.82125489856131 0.66666666666667 15.999 > 12 37 O 0.17874510143869 0.17874510143869 0.00000000000000 15.999 > 13 38 O 0.17874510143869 0.17874510143869 0.33333333333333 15.999 > 13 39 O 0.17874510143869 0.17874510143869 0.66666666666667 15.999 > 13 40 O 0.82125489856131 0.00000000000000 0.00000000000000 15.999 > 14 41 O 0.82125489856131 0.00000000000000 0.33333333333333 15.999 > 14 42 O 0.82125489856131 0.00000000000000 0.66666666666667 15.999 > 14 *43 K 0.00000000000000 0.59632229801157 0.16666666666667 39.098 > 15 44 K 0.00000000000000 0.59632229801157 0.50000000000000 39.098 > 15 45 K 0.00000000000000 0.59632229801157 0.83333333333333 39.098 > 15 46 K 0.40367770198843 0.40367770198843 0.16666666666667 39.098 > 16 47 K 0.40367770198843 0.40367770198843 0.50000000000000 39.098 > 16 48 K 0.40367770198843 0.40367770198843 0.83333333333333 39.098 > 16 49 K 0.59632229801157 0.00000000000000 0.16666666666667 39.098 > 17 50 K 0.59632229801157 0.00000000000000 0.50000000000000 39.098 > 17 51 K 0.59632229801157 0.00000000000000 0.83333333333333 39.098 > 17 *52 Ta 0.00000000000000 0.24663242799864 0.00000000000000 180.948 > 18 53 Ta 0.00000000000000 0.24663242799864 0.33333333333333 180.948 > 18 54 Ta 0.00000000000000 0.24663242799864 0.66666666666667 180.948 > 18 55 Ta 0.75336757200136 0.75336757200136 0.00000000000000 180.948 > 19 56 Ta 0.75336757200136 0.75336757200136 0.33333333333333 180.948 > 19 57 Ta 0.75336757200136 0.75336757200136 0.66666666666667 180.948 > 19 58 Ta 0.24663242799864 0.00000000000000 0.00000000000000 180.948 > 20 59 Ta 0.24663242799864 0.00000000000000 0.33333333333333 180.948 > 20 60 Ta 0.24663242799864 0.00000000000000 0.66666666666667 180.948 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1797673 0.0000000 0.0000000 0.0000000 4.1797673 0.0000000 0.0000000 0.0000000 4.3933035 -------------------------- Born effective charges -------------------------- 1 B 4.2373044 -0.4927165 0.0000000 0.4927165 4.2373044 0.0000000 0.0000000 0.0000000 0.3588783 2 B 4.2373044 0.4927165 0.0000000 -0.4927165 4.2373044 0.0000000 0.0000000 0.0000000 0.3588783 3 O -3.2527053 -1.9592112 0.0000000 -1.5179769 -3.2862686 0.0000000 0.0000000 0.0000000 -1.1104651 4 O -1.7722112 -0.6632133 0.0000000 -1.1044476 -4.7667627 0.0000000 0.0000000 0.0000000 -1.1104651 5 O -3.2527053 1.9592112 0.0000000 1.5179769 -3.2862686 0.0000000 0.0000000 0.0000000 -1.1104651 6 O -4.7835444 -0.6341465 0.0000000 -1.0753808 -1.7554295 0.0000000 0.0000000 0.0000000 -1.1104651 7 O -1.7722112 0.6632133 0.0000000 1.1044476 -4.7667627 0.0000000 0.0000000 0.0000000 -1.1104651 8 O -4.7835444 0.6341465 0.0000000 1.0753808 -1.7554295 0.0000000 0.0000000 0.0000000 -1.1104651 9 O -1.3194058 0.0499638 0.0000000 0.0499638 -1.3770990 0.0000000 0.0000000 0.0000000 -6.8305963 10 O -1.3194058 -0.0499638 0.0000000 -0.0499638 -1.3770990 0.0000000 0.0000000 0.0000000 -6.8305963 11 O -1.4059457 -0.0000000 0.0000000 -0.0000000 -1.2905591 0.0000000 0.0000000 0.0000000 -6.8305963 12 O -4.2619507 -1.6143559 0.0000000 -1.6143559 -2.3978530 0.0000000 0.0000000 0.0000000 -1.3617226 13 O -4.2619507 1.6143559 0.0000000 1.6143559 -2.3978530 0.0000000 0.0000000 0.0000000 -1.3617226 14 O -1.4658042 -0.0000000 0.0000000 -0.0000000 -5.1939995 0.0000000 0.0000000 0.0000000 -1.3617226 15 K 1.1121680 -0.2181874 0.0000000 -0.2181874 1.3641091 0.0000000 0.0000000 0.0000000 1.2157690 16 K 1.1121680 0.2181874 0.0000000 0.2181874 1.3641091 0.0000000 0.0000000 0.0000000 1.2157690 17 K 1.4900797 -0.0000000 0.0000000 -0.0000000 0.9861975 0.0000000 0.0000000 0.0000000 1.2157690 18 Ta 6.8511173 -0.5248160 0.0000000 -0.5248160 7.4571226 0.0000000 0.0000000 0.0000000 8.9582278 19 Ta 6.8511173 0.5248160 0.0000000 0.5248160 7.4571226 0.0000000 0.0000000 0.0000000 8.9582278 20 Ta 7.7601252 -0.0000000 0.0000000 -0.0000000 6.5481147 0.0000000 0.0000000 0.0000000 8.9582278 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 5550/5550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 516 Number of blocks in projector: 266 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (516, 496), data: False |-- (90, 84), data: True |-- (132, 132), data: True |-- (294, 280), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.249 Solver_block: 200 / 240 - Time: 0.279 Solver_block: 240 / 240 - Time: 0.215 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.862 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 180/180 Permutation basis: 5550/5550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 516 Number of blocks in projector: 266 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (516, 496), data: False |-- (90, 84), data: True |-- (132, 132), data: True |-- (294, 280), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:36:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:36:14]------------------------- 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): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62m (189) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.823490342387375 0.000000000000000 0.000000000000000 b -4.411745171193687 7.641366786554121 0.000000000000000 c 0.000000000000000 0.000000000000000 3.910854270000000 Atomic positions (fractional): 1 B 0.33333333333333 0.66666666666667 0.00000000000000 10.811 2 B 0.66666666666667 0.33333333333333 0.00000000000000 10.811 3 O 0.50236805507078 0.18840961287679 0.00000000000000 15.999 4 O 0.18840961287679 0.50236805507078 0.00000000000000 15.999 5 O 0.31395844219399 0.81159038712321 0.00000000000000 15.999 6 O 0.49763194492922 0.68604155780601 0.00000000000000 15.999 7 O 0.68604155780601 0.49763194492922 0.00000000000000 15.999 8 O 0.81159038712321 0.31395844219399 0.00000000000000 15.999 9 O 0.00000000000000 0.26417777757504 0.50000000000000 15.999 10 O 0.73582222242496 0.73582222242496 0.50000000000000 15.999 11 O 0.26417777757504 0.00000000000000 0.50000000000000 15.999 12 O 0.00000000000000 0.82125489856131 0.00000000000000 15.999 13 O 0.17874510143869 0.17874510143869 0.00000000000000 15.999 14 O 0.82125489856131 0.00000000000000 0.00000000000000 15.999 15 K 0.00000000000000 0.59632229801157 0.50000000000000 39.098 16 K 0.40367770198843 0.40367770198843 0.50000000000000 39.098 17 K 0.59632229801157 0.00000000000000 0.50000000000000 39.098 18 Ta 0.00000000000000 0.24663242799864 0.00000000000000 180.948 19 Ta 0.75336757200136 0.75336757200136 0.00000000000000 180.948 20 Ta 0.24663242799864 0.00000000000000 0.00000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.823490342387375 0.000000000000000 0.000000000000000 b -4.411745171193687 7.641366786554121 0.000000000000000 c 0.000000000000000 0.000000000000000 11.732562810000001 Atomic positions (fractional): 1 B 0.33333333333333 0.66666666666667 0.00000000000000 10.811 > 1 2 B 0.33333333333333 0.66666666666667 0.33333333333333 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.66666666666667 10.811 > 1 4 B 0.66666666666667 0.33333333333333 0.00000000000000 10.811 > 4 5 B 0.66666666666667 0.33333333333333 0.33333333333333 10.811 > 4 6 B 0.66666666666667 0.33333333333333 0.66666666666667 10.811 > 4 7 O 0.50236805507078 0.18840961287679 0.00000000000000 15.999 > 7 8 O 0.50236805507078 0.18840961287679 0.33333333333333 15.999 > 7 9 O 0.50236805507078 0.18840961287679 0.66666666666667 15.999 > 7 10 O 0.18840961287679 0.50236805507078 0.00000000000000 15.999 > 10 11 O 0.18840961287679 0.50236805507078 0.33333333333333 15.999 > 10 12 O 0.18840961287679 0.50236805507078 0.66666666666667 15.999 > 10 13 O 0.31395844219399 0.81159038712321 0.00000000000000 15.999 > 13 14 O 0.31395844219399 0.81159038712321 0.33333333333333 15.999 > 13 15 O 0.31395844219399 0.81159038712321 0.66666666666667 15.999 > 13 16 O 0.49763194492922 0.68604155780601 0.00000000000000 15.999 > 16 17 O 0.49763194492922 0.68604155780601 0.33333333333333 15.999 > 16 18 O 0.49763194492922 0.68604155780601 0.66666666666667 15.999 > 16 19 O 0.68604155780601 0.49763194492922 0.00000000000000 15.999 > 19 20 O 0.68604155780601 0.49763194492922 0.33333333333333 15.999 > 19 21 O 0.68604155780601 0.49763194492922 0.66666666666667 15.999 > 19 22 O 0.81159038712321 0.31395844219399 0.00000000000000 15.999 > 22 23 O 0.81159038712321 0.31395844219399 0.33333333333333 15.999 > 22 24 O 0.81159038712321 0.31395844219399 0.66666666666667 15.999 > 22 25 O 0.00000000000000 0.26417777757504 0.16666666666667 15.999 > 25 26 O 0.00000000000000 0.26417777757504 0.50000000000000 15.999 > 25 27 O 0.00000000000000 0.26417777757504 0.83333333333333 15.999 > 25 28 O 0.73582222242496 0.73582222242496 0.16666666666667 15.999 > 28 29 O 0.73582222242496 0.73582222242496 0.50000000000000 15.999 > 28 30 O 0.73582222242496 0.73582222242496 0.83333333333333 15.999 > 28 31 O 0.26417777757504 0.00000000000000 0.16666666666667 15.999 > 31 32 O 0.26417777757504 0.00000000000000 0.50000000000000 15.999 > 31 33 O 0.26417777757504 0.00000000000000 0.83333333333333 15.999 > 31 34 O 0.00000000000000 0.82125489856131 0.00000000000000 15.999 > 34 35 O 0.00000000000000 0.82125489856131 0.33333333333333 15.999 > 34 36 O 0.00000000000000 0.82125489856131 0.66666666666667 15.999 > 34 37 O 0.17874510143869 0.17874510143869 0.00000000000000 15.999 > 37 38 O 0.17874510143869 0.17874510143869 0.33333333333333 15.999 > 37 39 O 0.17874510143869 0.17874510143869 0.66666666666667 15.999 > 37 40 O 0.82125489856131 0.00000000000000 0.00000000000000 15.999 > 40 41 O 0.82125489856131 0.00000000000000 0.33333333333333 15.999 > 40 42 O 0.82125489856131 0.00000000000000 0.66666666666667 15.999 > 40 43 K 0.00000000000000 0.59632229801157 0.16666666666667 39.098 > 43 44 K 0.00000000000000 0.59632229801157 0.50000000000000 39.098 > 43 45 K 0.00000000000000 0.59632229801157 0.83333333333333 39.098 > 43 46 K 0.40367770198843 0.40367770198843 0.16666666666667 39.098 > 46 47 K 0.40367770198843 0.40367770198843 0.50000000000000 39.098 > 46 48 K 0.40367770198843 0.40367770198843 0.83333333333333 39.098 > 46 49 K 0.59632229801157 0.00000000000000 0.16666666666667 39.098 > 49 50 K 0.59632229801157 0.00000000000000 0.50000000000000 39.098 > 49 51 K 0.59632229801157 0.00000000000000 0.83333333333333 39.098 > 49 52 Ta 0.00000000000000 0.24663242799864 0.00000000000000 180.948 > 52 53 Ta 0.00000000000000 0.24663242799864 0.33333333333333 180.948 > 52 54 Ta 0.00000000000000 0.24663242799864 0.66666666666667 180.948 > 52 55 Ta 0.75336757200136 0.75336757200136 0.00000000000000 180.948 > 55 56 Ta 0.75336757200136 0.75336757200136 0.33333333333333 180.948 > 55 57 Ta 0.75336757200136 0.75336757200136 0.66666666666667 180.948 > 55 58 Ta 0.24663242799864 0.00000000000000 0.00000000000000 180.948 > 58 59 Ta 0.24663242799864 0.00000000000000 0.33333333333333 180.948 > 58 60 Ta 0.24663242799864 0.00000000000000 0.66666666666667 180.948 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1797673 0.0000000 0.0000000 0.0000000 4.1797673 0.0000000 0.0000000 0.0000000 4.3933035 -------------------------- Born effective charges -------------------------- 1 B 4.2373044 -0.4927165 0.0000000 0.4927165 4.2373044 0.0000000 0.0000000 0.0000000 0.3588783 2 B 4.2373044 0.4927165 0.0000000 -0.4927165 4.2373044 0.0000000 0.0000000 0.0000000 0.3588783 3 O -3.2527053 -1.9592112 0.0000000 -1.5179769 -3.2862686 0.0000000 0.0000000 0.0000000 -1.1104651 4 O -1.7722112 -0.6632133 0.0000000 -1.1044476 -4.7667627 0.0000000 0.0000000 0.0000000 -1.1104651 5 O -3.2527053 1.9592112 0.0000000 1.5179769 -3.2862686 0.0000000 0.0000000 0.0000000 -1.1104651 6 O -4.7835444 -0.6341465 0.0000000 -1.0753808 -1.7554295 0.0000000 0.0000000 0.0000000 -1.1104651 7 O -1.7722112 0.6632133 0.0000000 1.1044476 -4.7667627 0.0000000 0.0000000 0.0000000 -1.1104651 8 O -4.7835444 0.6341465 0.0000000 1.0753808 -1.7554295 0.0000000 0.0000000 0.0000000 -1.1104651 9 O -1.3194058 0.0499638 0.0000000 0.0499638 -1.3770990 0.0000000 0.0000000 0.0000000 -6.8305963 10 O -1.3194058 -0.0499638 0.0000000 -0.0499638 -1.3770990 0.0000000 0.0000000 0.0000000 -6.8305963 11 O -1.4059457 -0.0000000 0.0000000 -0.0000000 -1.2905591 0.0000000 0.0000000 0.0000000 -6.8305963 12 O -4.2619507 -1.6143559 0.0000000 -1.6143559 -2.3978530 0.0000000 0.0000000 0.0000000 -1.3617226 13 O -4.2619507 1.6143559 0.0000000 1.6143559 -2.3978530 0.0000000 0.0000000 0.0000000 -1.3617226 14 O -1.4658042 -0.0000000 0.0000000 -0.0000000 -5.1939995 0.0000000 0.0000000 0.0000000 -1.3617226 15 K 1.1121680 -0.2181874 0.0000000 -0.2181874 1.3641091 0.0000000 0.0000000 0.0000000 1.2157690 16 K 1.1121680 0.2181874 0.0000000 0.2181874 1.3641091 0.0000000 0.0000000 0.0000000 1.2157690 17 K 1.4900797 -0.0000000 0.0000000 -0.0000000 0.9861975 0.0000000 0.0000000 0.0000000 1.2157690 18 Ta 6.8511173 -0.5248160 0.0000000 -0.5248160 7.4571226 0.0000000 0.0000000 0.0000000 8.9582278 19 Ta 6.8511173 0.5248160 0.0000000 0.5248160 7.4571226 0.0000000 0.0000000 0.0000000 8.9582278 20 Ta 7.7601252 -0.0000000 0.0000000 -0.0000000 6.5481147 0.0000000 0.0000000 0.0000000 8.9582278 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 34, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 52, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:36:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:36:20]------------------------- 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): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62m (189) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.823490342387375 0.000000000000000 0.000000000000000 b -4.411745171193687 7.641366786554121 0.000000000000000 c 0.000000000000000 0.000000000000000 3.910854270000000 Atomic positions (fractional): 1 B 0.33333333333333 0.66666666666667 0.00000000000000 10.811 2 B 0.66666666666667 0.33333333333333 0.00000000000000 10.811 3 O 0.50236805507078 0.18840961287679 0.00000000000000 15.999 4 O 0.18840961287679 0.50236805507078 0.00000000000000 15.999 5 O 0.31395844219399 0.81159038712321 0.00000000000000 15.999 6 O 0.49763194492922 0.68604155780601 0.00000000000000 15.999 7 O 0.68604155780601 0.49763194492922 0.00000000000000 15.999 8 O 0.81159038712321 0.31395844219399 0.00000000000000 15.999 9 O 0.00000000000000 0.26417777757504 0.50000000000000 15.999 10 O 0.73582222242496 0.73582222242496 0.50000000000000 15.999 11 O 0.26417777757504 0.00000000000000 0.50000000000000 15.999 12 O 0.00000000000000 0.82125489856131 0.00000000000000 15.999 13 O 0.17874510143869 0.17874510143869 0.00000000000000 15.999 14 O 0.82125489856131 0.00000000000000 0.00000000000000 15.999 15 K 0.00000000000000 0.59632229801157 0.50000000000000 39.098 16 K 0.40367770198843 0.40367770198843 0.50000000000000 39.098 17 K 0.59632229801157 0.00000000000000 0.50000000000000 39.098 18 Ta 0.00000000000000 0.24663242799864 0.00000000000000 180.948 19 Ta 0.75336757200136 0.75336757200136 0.00000000000000 180.948 20 Ta 0.24663242799864 0.00000000000000 0.00000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.823490342387375 0.000000000000000 0.000000000000000 b -4.411745171193687 7.641366786554121 0.000000000000000 c 0.000000000000000 0.000000000000000 11.732562810000001 Atomic positions (fractional): 1 B 0.33333333333333 0.66666666666667 0.00000000000000 10.811 > 1 2 B 0.33333333333333 0.66666666666667 0.33333333333333 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.66666666666667 10.811 > 1 4 B 0.66666666666667 0.33333333333333 0.00000000000000 10.811 > 4 5 B 0.66666666666667 0.33333333333333 0.33333333333333 10.811 > 4 6 B 0.66666666666667 0.33333333333333 0.66666666666667 10.811 > 4 7 O 0.50236805507078 0.18840961287679 0.00000000000000 15.999 > 7 8 O 0.50236805507078 0.18840961287679 0.33333333333333 15.999 > 7 9 O 0.50236805507078 0.18840961287679 0.66666666666667 15.999 > 7 10 O 0.18840961287679 0.50236805507078 0.00000000000000 15.999 > 10 11 O 0.18840961287679 0.50236805507078 0.33333333333333 15.999 > 10 12 O 0.18840961287679 0.50236805507078 0.66666666666667 15.999 > 10 13 O 0.31395844219399 0.81159038712321 0.00000000000000 15.999 > 13 14 O 0.31395844219399 0.81159038712321 0.33333333333333 15.999 > 13 15 O 0.31395844219399 0.81159038712321 0.66666666666667 15.999 > 13 16 O 0.49763194492922 0.68604155780601 0.00000000000000 15.999 > 16 17 O 0.49763194492922 0.68604155780601 0.33333333333333 15.999 > 16 18 O 0.49763194492922 0.68604155780601 0.66666666666667 15.999 > 16 19 O 0.68604155780601 0.49763194492922 0.00000000000000 15.999 > 19 20 O 0.68604155780601 0.49763194492922 0.33333333333333 15.999 > 19 21 O 0.68604155780601 0.49763194492922 0.66666666666667 15.999 > 19 22 O 0.81159038712321 0.31395844219399 0.00000000000000 15.999 > 22 23 O 0.81159038712321 0.31395844219399 0.33333333333333 15.999 > 22 24 O 0.81159038712321 0.31395844219399 0.66666666666667 15.999 > 22 25 O 0.00000000000000 0.26417777757504 0.16666666666667 15.999 > 25 26 O 0.00000000000000 0.26417777757504 0.50000000000000 15.999 > 25 27 O 0.00000000000000 0.26417777757504 0.83333333333333 15.999 > 25 28 O 0.73582222242496 0.73582222242496 0.16666666666667 15.999 > 28 29 O 0.73582222242496 0.73582222242496 0.50000000000000 15.999 > 28 30 O 0.73582222242496 0.73582222242496 0.83333333333333 15.999 > 28 31 O 0.26417777757504 0.00000000000000 0.16666666666667 15.999 > 31 32 O 0.26417777757504 0.00000000000000 0.50000000000000 15.999 > 31 33 O 0.26417777757504 0.00000000000000 0.83333333333333 15.999 > 31 34 O 0.00000000000000 0.82125489856131 0.00000000000000 15.999 > 34 35 O 0.00000000000000 0.82125489856131 0.33333333333333 15.999 > 34 36 O 0.00000000000000 0.82125489856131 0.66666666666667 15.999 > 34 37 O 0.17874510143869 0.17874510143869 0.00000000000000 15.999 > 37 38 O 0.17874510143869 0.17874510143869 0.33333333333333 15.999 > 37 39 O 0.17874510143869 0.17874510143869 0.66666666666667 15.999 > 37 40 O 0.82125489856131 0.00000000000000 0.00000000000000 15.999 > 40 41 O 0.82125489856131 0.00000000000000 0.33333333333333 15.999 > 40 42 O 0.82125489856131 0.00000000000000 0.66666666666667 15.999 > 40 43 K 0.00000000000000 0.59632229801157 0.16666666666667 39.098 > 43 44 K 0.00000000000000 0.59632229801157 0.50000000000000 39.098 > 43 45 K 0.00000000000000 0.59632229801157 0.83333333333333 39.098 > 43 46 K 0.40367770198843 0.40367770198843 0.16666666666667 39.098 > 46 47 K 0.40367770198843 0.40367770198843 0.50000000000000 39.098 > 46 48 K 0.40367770198843 0.40367770198843 0.83333333333333 39.098 > 46 49 K 0.59632229801157 0.00000000000000 0.16666666666667 39.098 > 49 50 K 0.59632229801157 0.00000000000000 0.50000000000000 39.098 > 49 51 K 0.59632229801157 0.00000000000000 0.83333333333333 39.098 > 49 52 Ta 0.00000000000000 0.24663242799864 0.00000000000000 180.948 > 52 53 Ta 0.00000000000000 0.24663242799864 0.33333333333333 180.948 > 52 54 Ta 0.00000000000000 0.24663242799864 0.66666666666667 180.948 > 52 55 Ta 0.75336757200136 0.75336757200136 0.00000000000000 180.948 > 55 56 Ta 0.75336757200136 0.75336757200136 0.33333333333333 180.948 > 55 57 Ta 0.75336757200136 0.75336757200136 0.66666666666667 180.948 > 55 58 Ta 0.24663242799864 0.00000000000000 0.00000000000000 180.948 > 58 59 Ta 0.24663242799864 0.00000000000000 0.33333333333333 180.948 > 58 60 Ta 0.24663242799864 0.00000000000000 0.66666666666667 180.948 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1797673 0.0000000 0.0000000 0.0000000 4.1797673 0.0000000 0.0000000 0.0000000 4.3933035 -------------------------- Born effective charges -------------------------- 1 B 4.2373044 -0.4927165 0.0000000 0.4927165 4.2373044 0.0000000 0.0000000 0.0000000 0.3588783 2 B 4.2373044 0.4927165 0.0000000 -0.4927165 4.2373044 0.0000000 0.0000000 0.0000000 0.3588783 3 O -3.2527053 -1.9592112 0.0000000 -1.5179769 -3.2862686 0.0000000 0.0000000 0.0000000 -1.1104651 4 O -1.7722112 -0.6632133 0.0000000 -1.1044476 -4.7667627 0.0000000 0.0000000 0.0000000 -1.1104651 5 O -3.2527053 1.9592112 0.0000000 1.5179769 -3.2862686 0.0000000 0.0000000 0.0000000 -1.1104651 6 O -4.7835444 -0.6341465 0.0000000 -1.0753808 -1.7554295 0.0000000 0.0000000 0.0000000 -1.1104651 7 O -1.7722112 0.6632133 0.0000000 1.1044476 -4.7667627 0.0000000 0.0000000 0.0000000 -1.1104651 8 O -4.7835444 0.6341465 0.0000000 1.0753808 -1.7554295 0.0000000 0.0000000 0.0000000 -1.1104651 9 O -1.3194058 0.0499638 0.0000000 0.0499638 -1.3770990 0.0000000 0.0000000 0.0000000 -6.8305963 10 O -1.3194058 -0.0499638 0.0000000 -0.0499638 -1.3770990 0.0000000 0.0000000 0.0000000 -6.8305963 11 O -1.4059457 -0.0000000 0.0000000 -0.0000000 -1.2905591 0.0000000 0.0000000 0.0000000 -6.8305963 12 O -4.2619507 -1.6143559 0.0000000 -1.6143559 -2.3978530 0.0000000 0.0000000 0.0000000 -1.3617226 13 O -4.2619507 1.6143559 0.0000000 1.6143559 -2.3978530 0.0000000 0.0000000 0.0000000 -1.3617226 14 O -1.4658042 -0.0000000 0.0000000 -0.0000000 -5.1939995 0.0000000 0.0000000 0.0000000 -1.3617226 15 K 1.1121680 -0.2181874 0.0000000 -0.2181874 1.3641091 0.0000000 0.0000000 0.0000000 1.2157690 16 K 1.1121680 0.2181874 0.0000000 0.2181874 1.3641091 0.0000000 0.0000000 0.0000000 1.2157690 17 K 1.4900797 -0.0000000 0.0000000 -0.0000000 0.9861975 0.0000000 0.0000000 0.0000000 1.2157690 18 Ta 6.8511173 -0.5248160 0.0000000 -0.5248160 7.4571226 0.0000000 0.0000000 0.0000000 8.9582278 19 Ta 6.8511173 0.5248160 0.0000000 0.5248160 7.4571226 0.0000000 0.0000000 0.0000000 8.9582278 20 Ta 7.7601252 -0.0000000 0.0000000 -0.0000000 6.5481147 0.0000000 0.0000000 0.0000000 8.9582278 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 13 ] 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: 0.65, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.704 ( -0.000 0.000 0.000) 0.000 1.704 ( -0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 3.031 ( -0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 -0.000 0.000) 0.000 3.524 ( -0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.982 ( -0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 -0.000 0.000) 0.000 4.198 ( -0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 5.970 ( -0.000 0.000 0.000) 0.000 5.970 ( -0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 7.003 ( -0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.806 ( -0.000 0.000 0.000) 0.000 7.806 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 -0.000 0.000) 0.000 8.362 ( -0.000 0.000 0.000) 0.000 8.362 ( -0.000 0.000 0.000) 0.000 8.763 ( -0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 9.068 ( 0.000 0.000 0.000) 0.000 9.068 ( -0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 11.750 ( -0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 -0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.059 ( -0.000 0.000 0.000) 0.000 16.299 ( 0.000 0.000 0.000) 0.000 18.471 ( -0.000 0.000 0.000) 0.000 18.471 ( -0.000 0.000 0.000) 0.000 18.809 ( 0.000 0.000 0.000) 0.000 18.809 ( 0.000 0.000 0.000) 0.000 19.417 ( 0.000 -0.000 0.000) 0.000 20.069 ( 0.000 -0.000 0.000) 0.000 20.103 ( 0.000 0.000 0.000) 0.000 23.775 ( 0.000 0.000 0.000) 0.000 23.775 ( 0.000 0.000 0.000) 0.000 31.460 ( 0.000 0.000 0.000) 0.000 31.870 ( 0.000 0.000 0.000) 0.000 36.829 ( 0.000 0.000 0.000) 0.000 36.829 ( -0.000 0.000 0.000) 0.000 39.545 ( 0.000 0.000 0.000) 0.000 39.545 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 16.692 9.637 0.000) 19.274 0.665 ( 29.097 16.799 0.000) 33.598 1.288 ( 54.357 31.383 0.000) 62.767 1.685 ( -1.779 -1.027 0.000) 2.054 1.703 ( -0.090 -0.052 0.000) 0.104 2.665 ( 1.287 0.743 0.000) 1.486 2.993 ( -4.676 -2.700 0.000) 5.399 3.020 ( -1.025 -0.592 0.000) 1.183 3.364 ( -29.891 -17.258 0.000) 34.515 3.368 ( 1.213 0.700 0.000) 1.401 3.527 ( 0.237 0.137 0.000) 0.274 3.539 ( 1.287 0.743 0.000) 1.486 3.757 ( -10.288 -5.940 0.000) 11.880 4.154 ( -3.580 -2.067 0.000) 4.133 4.178 ( 5.027 2.902 0.000) 5.804 4.303 ( 7.189 4.151 0.000) 8.301 4.553 ( 0.433 0.250 0.000) 0.501 4.568 ( 1.431 0.826 0.000) 1.652 4.686 ( 0.802 0.463 0.000) 0.926 4.793 ( 2.567 1.482 0.000) 2.964 4.900 ( 23.221 13.407 0.000) 26.814 5.857 ( -10.041 -5.797 0.000) 11.594 5.888 ( -1.391 -0.803 0.000) 1.606 5.959 ( -0.952 -0.550 0.000) 1.099 6.014 ( 3.093 1.786 0.000) 3.571 6.597 ( -3.606 -2.082 0.000) 4.164 7.056 ( 4.695 2.711 0.000) 5.421 7.706 ( -8.454 -4.881 0.000) 9.762 7.781 ( -1.612 -0.930 0.000) 1.861 8.213 ( 0.447 0.258 0.000) 0.516 8.338 ( -0.400 -0.231 0.000) 0.462 8.346 ( -1.272 -0.735 0.000) 1.469 8.363 ( 0.061 0.035 0.000) 0.070 8.366 ( 3.399 1.962 0.000) 3.925 8.782 ( 0.384 0.221 0.000) 0.443 8.928 ( 2.201 1.271 0.000) 2.542 9.099 ( 3.025 1.747 0.000) 3.493 10.443 ( -11.658 -6.731 0.000) 13.462 11.197 ( -0.773 -0.446 0.000) 0.893 11.795 ( 4.354 2.514 0.000) 5.028 12.759 ( -3.128 -1.806 0.000) 3.612 12.904 ( 2.247 1.297 0.000) 2.594 16.051 ( -0.653 -0.377 0.000) 0.754 16.058 ( -0.070 -0.040 0.000) 0.081 16.309 ( 0.840 0.485 0.000) 0.970 18.295 ( -14.348 -8.284 0.000) 16.568 18.662 ( -10.184 -5.880 0.000) 11.759 18.765 ( -0.641 -0.370 0.000) 0.740 19.060 ( 5.711 3.297 0.000) 6.595 19.597 ( 12.825 7.404 0.000) 14.808 20.071 ( 0.137 0.079 0.000) 0.158 20.102 ( -0.132 -0.076 0.000) 0.152 23.896 ( 10.434 6.024 0.000) 12.048 25.849 ( -8.265 -4.772 0.000) 9.543 31.482 ( 2.008 1.159 0.000) 2.318 31.873 ( 0.234 0.135 0.000) 0.270 36.801 ( -2.252 -1.300 0.000) 2.601 38.114 ( 5.818 3.359 0.000) 6.718 39.560 ( 1.356 0.783 0.000) 1.566 41.836 ( -4.256 -2.457 0.000) 4.914 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 13.017 7.516 0.000) 15.031 1.210 ( 19.845 11.457 0.000) 22.915 1.631 ( -3.056 -1.764 0.000) 3.529 1.701 ( -0.138 -0.080 0.000) 0.160 2.045 ( 3.185 1.839 0.000) 3.678 2.667 ( -0.731 -0.422 0.000) 0.844 2.884 ( 9.250 5.340 0.000) 10.681 2.986 ( -1.763 -1.018 0.000) 2.035 3.057 ( -0.721 -0.416 0.000) 0.832 3.406 ( 2.209 1.275 0.000) 2.551 3.530 ( -0.100 -0.057 0.000) 0.115 3.559 ( -7.566 -4.368 0.000) 8.736 3.569 ( 1.214 0.701 0.000) 1.401 4.070 ( -3.620 -2.090 0.000) 4.180 4.226 ( 0.636 0.367 0.000) 0.734 4.429 ( 1.411 0.814 0.000) 1.629 4.567 ( 0.790 0.456 0.000) 0.913 4.594 ( 0.773 0.446 0.000) 0.892 4.758 ( 7.326 4.230 0.000) 8.460 4.780 ( -0.511 -0.295 0.000) 0.590 5.372 ( 12.969 7.488 0.000) 14.976 5.666 ( -1.710 -0.988 0.000) 1.975 5.866 ( -0.585 -0.338 0.000) 0.675 5.932 ( -1.354 -0.782 0.000) 1.564 6.082 ( 2.935 1.695 0.000) 3.389 6.469 ( -8.585 -4.956 0.000) 9.913 7.191 ( 7.370 4.255 0.000) 8.510 7.491 ( -10.127 -5.847 0.000) 11.693 7.721 ( -4.071 -2.350 0.000) 4.700 8.241 ( 1.925 1.111 0.000) 2.222 8.308 ( -1.811 -1.046 0.000) 2.092 8.335 ( -0.053 -0.030 0.000) 0.061 8.362 ( -0.218 -0.126 0.000) 0.252 8.408 ( 0.267 0.154 0.000) 0.308 8.747 ( -3.325 -1.920 0.000) 3.840 9.034 ( 7.303 4.216 0.000) 8.433 9.192 ( 5.396 3.115 0.000) 6.231 10.116 ( -17.596 -10.159 0.000) 20.318 11.177 ( -0.862 -0.497 0.000) 0.995 11.942 ( 9.145 5.280 0.000) 10.560 12.652 ( -6.844 -3.951 0.000) 7.903 12.961 ( 2.711 1.565 0.000) 3.131 16.035 ( -0.690 -0.398 0.000) 0.797 16.056 ( -0.088 -0.051 0.000) 0.102 16.330 ( 0.925 0.534 0.000) 1.068 17.954 ( -15.249 -8.804 0.000) 17.608 18.421 ( -10.580 -6.108 0.000) 12.216 18.763 ( 0.267 0.154 0.000) 0.309 19.217 ( 7.738 4.468 0.000) 8.936 19.859 ( 10.271 5.930 0.000) 11.860 20.075 ( 0.229 0.132 0.000) 0.264 20.098 ( -0.223 -0.129 0.000) 0.257 24.175 ( 14.028 8.099 0.000) 16.198 25.613 ( -12.712 -7.339 0.000) 14.678 31.543 ( 3.361 1.940 0.000) 3.881 31.873 ( -0.368 -0.212 0.000) 0.425 36.751 ( -2.013 -1.162 0.000) 2.324 38.252 ( 6.117 3.532 0.000) 7.063 39.599 ( 2.046 1.181 0.000) 2.362 41.724 ( -5.385 -3.109 0.000) 6.218 ======================= Grid point 3 (4/56) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 5.529 3.192 0.000) 6.384 1.414 ( -1.193 -0.689 0.000) 1.378 1.569 ( -2.019 -1.166 0.000) 2.332 1.698 ( -0.070 -0.041 0.000) 0.081 1.884 ( -2.827 -1.632 0.000) 3.265 2.686 ( 0.593 0.342 0.000) 0.684 2.915 ( -1.819 -1.050 0.000) 2.101 2.983 ( -0.651 -0.376 0.000) 0.752 3.347 ( 11.148 6.436 0.000) 12.873 3.455 ( 1.966 1.135 0.000) 2.270 3.461 ( 0.471 0.272 0.000) 0.544 3.519 ( -0.843 -0.487 0.000) 0.974 3.585 ( 0.257 0.149 0.000) 0.297 4.014 ( -1.358 -0.784 0.000) 1.568 4.221 ( -0.771 -0.445 0.000) 0.890 4.384 ( -2.841 -1.640 0.000) 3.280 4.585 ( 0.837 0.483 0.000) 0.967 4.599 ( -0.299 -0.173 0.000) 0.345 4.779 ( 0.224 0.129 0.000) 0.258 4.935 ( 5.662 3.269 0.000) 6.537 5.403 ( -0.945 -0.546 0.000) 1.092 5.861 ( 0.002 0.001 0.000) 0.002 5.899 ( 15.212 8.783 0.000) 17.565 5.907 ( -0.756 -0.437 0.000) 0.873 6.130 ( 1.223 0.706 0.000) 1.412 6.222 ( -13.979 -8.071 0.000) 16.142 7.311 ( -2.991 -1.727 0.000) 3.454 7.359 ( 4.542 2.622 0.000) 5.245 7.614 ( -4.928 -2.845 0.000) 5.691 8.272 ( 0.529 0.306 0.000) 0.611 8.277 ( -0.846 -0.488 0.000) 0.977 8.337 ( 0.139 0.080 0.000) 0.161 8.356 ( -0.249 -0.144 0.000) 0.287 8.408 ( 0.316 0.183 0.000) 0.365 8.671 ( -2.691 -1.554 0.000) 3.107 9.167 ( 3.106 1.793 0.000) 3.586 9.373 ( 12.314 7.109 0.000) 14.219 9.728 ( -17.227 -9.946 0.000) 19.892 11.166 ( -0.211 -0.122 0.000) 0.244 12.164 ( 10.004 5.776 0.000) 11.551 12.473 ( -8.757 -5.056 0.000) 10.112 13.007 ( 1.213 0.700 0.000) 1.400 16.024 ( -0.275 -0.159 0.000) 0.317 16.054 ( -0.040 -0.023 0.000) 0.046 16.345 ( 0.380 0.219 0.000) 0.439 17.706 ( -6.502 -3.754 0.000) 7.508 18.255 ( -4.140 -2.390 0.000) 4.781 18.770 ( 0.245 0.142 0.000) 0.283 19.349 ( 3.538 2.043 0.000) 4.086 20.013 ( 3.673 2.121 0.000) 4.241 20.080 ( 0.174 0.100 0.000) 0.201 20.093 ( -0.171 -0.099 0.000) 0.198 24.436 ( 8.131 4.695 0.000) 9.389 25.365 ( -7.976 -4.605 0.000) 9.210 31.608 ( 2.029 1.171 0.000) 2.342 31.860 ( -0.631 -0.364 0.000) 0.729 36.721 ( -0.700 -0.404 0.000) 0.808 38.349 ( 2.418 1.396 0.000) 2.792 39.635 ( 1.011 0.584 0.000) 1.168 41.634 ( -2.411 -1.392 0.000) 2.784 ======================= Grid point 8 (5/56) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 8.291 14.361 0.000) 16.582 0.989 ( 10.331 17.893 0.000) 20.661 1.653 ( -1.343 -2.326 0.000) 2.686 1.697 ( -0.353 -0.612 0.000) 0.706 2.089 ( 23.402 40.533 0.000) 46.804 2.649 ( -4.142 -7.175 0.000) 8.285 2.850 ( -7.315 -12.670 0.000) 14.630 2.959 ( -1.404 -2.431 0.000) 2.807 3.058 ( -3.355 -5.811 0.000) 6.710 3.394 ( 1.140 1.974 0.000) 2.279 3.530 ( 0.037 0.065 0.000) 0.075 3.562 ( 0.796 1.379 0.000) 1.593 3.632 ( -3.873 -6.708 0.000) 7.746 4.093 ( -2.190 -3.793 0.000) 4.380 4.227 ( -1.753 -3.036 0.000) 3.506 4.371 ( 4.627 8.014 0.000) 9.253 4.561 ( 0.371 0.642 0.000) 0.742 4.589 ( 0.605 1.049 0.000) 1.211 4.733 ( 2.625 4.546 0.000) 5.249 4.811 ( 0.589 1.020 0.000) 1.178 5.284 ( 13.138 22.756 0.000) 26.277 5.686 ( -5.994 -10.382 0.000) 11.989 5.870 ( -0.460 -0.797 0.000) 0.920 5.940 ( -0.806 -1.396 0.000) 1.612 6.065 ( 1.850 3.204 0.000) 3.700 6.515 ( -3.994 -6.918 0.000) 7.989 7.144 ( 3.682 6.377 0.000) 7.363 7.559 ( -5.879 -10.183 0.000) 11.759 7.730 ( -2.418 -4.189 0.000) 4.837 8.236 ( 1.391 2.410 0.000) 2.783 8.323 ( -0.900 -1.559 0.000) 1.800 8.333 ( -0.149 -0.258 0.000) 0.298 8.361 ( -0.185 -0.320 0.000) 0.369 8.427 ( 1.865 3.230 0.000) 3.730 8.769 ( -1.374 -2.380 0.000) 2.749 8.971 ( 2.604 4.511 0.000) 5.209 9.165 ( 2.681 4.643 0.000) 5.362 10.210 ( -9.765 -16.914 0.000) 19.531 11.199 ( 0.183 0.316 0.000) 0.365 11.881 ( 3.995 6.919 0.000) 7.990 12.657 ( -4.373 -7.574 0.000) 8.746 12.977 ( 2.753 4.768 0.000) 5.506 16.040 ( -0.372 -0.644 0.000) 0.744 16.055 ( -0.116 -0.201 0.000) 0.233 16.325 ( 0.577 0.999 0.000) 1.154 18.047 ( -9.111 -15.781 0.000) 18.222 18.554 ( -4.978 -8.621 0.000) 9.955 18.672 ( -2.780 -4.815 0.000) 5.559 19.177 ( 4.763 8.249 0.000) 9.525 19.811 ( 7.614 13.188 0.000) 15.228 20.074 ( 0.124 0.215 0.000) 0.248 20.099 ( -0.121 -0.209 0.000) 0.241 24.097 ( 8.233 14.259 0.000) 16.465 25.673 ( -7.753 -13.428 0.000) 15.506 31.526 ( 1.994 3.453 0.000) 3.988 31.874 ( -0.154 -0.267 0.000) 0.308 36.732 ( -2.860 -4.953 0.000) 5.719 38.280 ( 7.279 12.608 0.000) 14.558 39.570 ( 0.127 0.221 0.000) 0.255 41.744 ( -3.877 -6.715 0.000) 7.754 ======================= Grid point 9 (6/56) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 6.743 8.292 0.000) 10.687 1.316 ( 15.057 7.376 0.000) 16.766 1.602 ( -2.599 -0.976 0.000) 2.776 1.685 ( 0.307 -1.636 0.000) 1.664 2.155 ( -28.309 4.509 0.000) 28.666 2.615 ( 7.819 -9.998 0.000) 12.692 2.881 ( 8.726 -5.461 0.000) 10.294 2.973 ( -1.597 0.435 0.000) 1.655 3.043 ( 9.921 0.595 0.000) 9.938 3.439 ( 1.840 2.110 0.000) 2.799 3.526 ( -0.481 -0.444 0.000) 0.655 3.578 ( -0.637 7.211 0.000) 7.239 3.580 ( 0.376 0.213 0.000) 0.433 4.032 ( -1.779 -1.519 0.000) 2.339 4.150 ( -0.383 -8.387 0.000) 8.396 4.452 ( -1.233 2.509 0.000) 2.795 4.576 ( 0.702 0.527 0.000) 0.877 4.599 ( 0.033 0.007 0.000) 0.034 4.835 ( 0.273 7.911 0.000) 7.916 4.907 ( 5.988 9.024 0.000) 10.830 5.486 ( -7.038 3.665 0.000) 7.935 5.712 ( 16.023 6.569 0.000) 17.317 5.862 ( -0.086 -0.004 0.000) 0.086 5.912 ( -0.849 -1.320 0.000) 1.570 6.120 ( 1.506 2.049 0.000) 2.543 6.327 ( -9.453 -10.360 0.000) 14.024 7.278 ( 5.621 4.481 0.000) 7.188 7.371 ( -5.754 -6.317 0.000) 8.545 7.626 ( -3.534 -7.163 0.000) 7.987 8.294 ( -1.321 -0.350 0.000) 1.367 8.296 ( 1.100 4.924 0.000) 5.046 8.332 ( 0.341 -0.270 0.000) 0.435 8.352 ( -0.189 -0.883 0.000) 0.903 8.463 ( -1.598 4.935 0.000) 5.187 8.695 ( -3.431 -3.793 0.000) 5.115 9.104 ( 7.071 4.172 0.000) 8.210 9.265 ( 5.831 3.940 0.000) 7.037 9.856 ( -13.458 -16.429 0.000) 21.238 11.204 ( -1.383 2.898 0.000) 3.211 12.053 ( 9.134 6.340 0.000) 11.119 12.492 ( -5.371 -10.827 0.000) 12.086 13.053 ( -0.026 6.088 0.000) 6.088 16.030 ( -0.423 -0.118 0.000) 0.440 16.051 ( 0.031 -0.420 0.000) 0.421 16.342 ( 0.473 0.645 0.000) 0.800 17.779 ( -8.231 -8.495 0.000) 11.829 18.357 ( -10.051 -1.531 0.000) 10.167 18.637 ( 6.085 -11.255 0.000) 12.795 19.331 ( 4.136 6.937 0.000) 8.076 20.023 ( 3.957 9.901 0.000) 10.662 20.078 ( 0.179 0.235 0.000) 0.296 20.094 ( -0.176 -0.231 0.000) 0.290 24.382 ( 9.274 13.536 0.000) 16.408 25.389 ( -8.493 -15.977 0.000) 18.094 31.602 ( 2.334 4.379 0.000) 4.963 31.858 ( -0.686 -1.702 0.000) 1.835 36.651 ( 0.673 -7.679 0.000) 7.708 38.510 ( -0.595 21.656 0.000) 21.664 39.567 ( 2.407 -5.268 0.000) 5.792 41.620 ( -2.295 -7.209 0.000) 7.565 ======================= Grid point 10 (7/56) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -1.056 1.829 0.000) 2.112 1.550 ( -8.434 14.608 0.000) 16.868 1.571 ( -0.818 1.417 0.000) 1.636 1.679 ( 1.098 -1.901 0.000) 2.195 1.853 ( 0.191 -0.330 0.000) 0.381 2.611 ( 6.544 -11.334 0.000) 13.087 2.932 ( -1.431 2.479 0.000) 2.863 2.934 ( 3.116 -5.397 0.000) 6.232 3.134 ( 6.984 -12.096 0.000) 13.968 3.475 ( -0.411 0.711 0.000) 0.821 3.511 ( 0.104 -0.179 0.000) 0.207 3.582 ( 0.252 -0.436 0.000) 0.504 3.662 ( -5.233 9.064 0.000) 10.466 4.011 ( -0.227 0.393 0.000) 0.453 4.092 ( 5.307 -9.192 0.000) 10.614 4.442 ( -2.425 4.199 0.000) 4.849 4.591 ( 0.141 -0.243 0.000) 0.281 4.593 ( 0.002 -0.003 0.000) 0.003 4.880 ( -5.265 9.119 0.000) 10.530 5.019 ( -2.486 4.305 0.000) 4.971 5.453 ( -3.365 5.828 0.000) 6.729 5.863 ( -0.148 0.257 0.000) 0.296 5.896 ( 0.395 -0.685 0.000) 0.790 6.020 ( 2.364 -4.095 0.000) 4.728 6.045 ( 1.448 -2.507 0.000) 2.895 6.143 ( -0.358 0.619 0.000) 0.715 7.276 ( 0.854 -1.479 0.000) 1.707 7.389 ( 0.080 -0.139 0.000) 0.161 7.529 ( 2.560 -4.435 0.000) 5.121 8.280 ( -0.471 0.815 0.000) 0.941 8.333 ( -3.086 5.345 0.000) 6.172 8.337 ( 0.035 -0.060 0.000) 0.069 8.343 ( 0.671 -1.161 0.000) 1.341 8.480 ( -3.540 6.131 0.000) 7.080 8.633 ( 1.329 -2.301 0.000) 2.657 9.186 ( -0.508 0.880 0.000) 1.016 9.457 ( 1.887 -3.269 0.000) 3.774 9.538 ( 2.668 -4.622 0.000) 5.337 11.207 ( -2.241 3.882 0.000) 4.483 12.246 ( -0.532 0.921 0.000) 1.064 12.312 ( 4.473 -7.748 0.000) 8.947 13.083 ( -3.041 5.268 0.000) 6.082 16.026 ( -0.171 0.297 0.000) 0.343 16.050 ( 0.267 -0.462 0.000) 0.534 16.349 ( -0.114 0.197 0.000) 0.228 17.666 ( 0.268 -0.465 0.000) 0.537 18.262 ( -1.766 3.058 0.000) 3.531 18.635 ( 7.018 -12.155 0.000) 14.035 19.403 ( -1.833 3.175 0.000) 3.666 20.082 ( -0.068 0.119 0.000) 0.137 20.091 ( 0.068 -0.117 0.000) 0.135 20.103 ( -3.370 5.837 0.000) 6.740 24.556 ( -4.457 7.719 0.000) 8.913 25.207 ( 6.414 -11.109 0.000) 12.827 31.651 ( -1.851 3.206 0.000) 3.702 31.837 ( 1.164 -2.017 0.000) 2.329 36.619 ( 4.406 -7.631 0.000) 8.812 38.614 ( -13.229 22.913 0.000) 26.458 39.559 ( 5.156 -8.930 0.000) 10.311 41.563 ( 2.918 -5.053 0.000) 5.835 ======================= Grid point 17 (8/56) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 2.034 3.523 0.000) 4.069 1.601 ( 0.412 0.714 0.000) 0.824 1.636 ( 14.860 25.738 0.000) 29.720 1.646 ( -1.170 -2.027 0.000) 2.341 2.154 ( -7.257 -12.570 0.000) 14.514 2.230 ( -9.754 -16.894 0.000) 19.507 2.860 ( 0.059 0.103 0.000) 0.119 2.972 ( 0.788 1.365 0.000) 1.577 3.033 ( -1.094 -1.894 0.000) 2.187 3.479 ( 1.166 2.019 0.000) 2.331 3.513 ( -0.568 -0.983 0.000) 1.136 3.576 ( -0.266 -0.461 0.000) 0.533 3.760 ( 5.539 9.594 0.000) 11.078 3.980 ( -5.001 -8.661 0.000) 10.001 4.018 ( -0.133 -0.231 0.000) 0.266 4.484 ( 0.481 0.834 0.000) 0.963 4.585 ( 0.269 0.466 0.000) 0.538 4.595 ( -0.242 -0.419 0.000) 0.483 5.002 ( 3.793 6.569 0.000) 7.586 5.049 ( 2.571 4.453 0.000) 5.142 5.566 ( 3.158 5.469 0.000) 6.315 5.859 ( 4.902 8.490 0.000) 9.803 5.867 ( 0.316 0.547 0.000) 0.632 5.888 ( -0.644 -1.116 0.000) 1.288 6.086 ( -8.291 -14.360 0.000) 16.582 6.149 ( 0.516 0.894 0.000) 1.033 7.261 ( -1.898 -3.288 0.000) 3.797 7.375 ( 2.616 4.532 0.000) 5.233 7.491 ( -3.653 -6.327 0.000) 7.306 8.296 ( 0.320 0.555 0.000) 0.641 8.322 ( -0.502 -0.870 0.000) 1.004 8.338 ( -0.206 -0.356 0.000) 0.411 8.402 ( 2.891 5.008 0.000) 5.783 8.549 ( 1.887 3.269 0.000) 3.775 8.612 ( -2.586 -4.478 0.000) 5.171 9.211 ( 3.620 6.270 0.000) 7.240 9.335 ( 2.766 4.791 0.000) 5.532 9.545 ( -8.939 -15.482 0.000) 17.878 11.258 ( 1.190 2.061 0.000) 2.380 12.171 ( 3.557 6.161 0.000) 7.114 12.305 ( -4.857 -8.412 0.000) 9.714 13.140 ( 1.486 2.573 0.000) 2.972 16.031 ( 0.143 0.248 0.000) 0.286 16.042 ( -0.277 -0.480 0.000) 0.554 16.351 ( 0.162 0.280 0.000) 0.323 17.668 ( -1.771 -3.067 0.000) 3.542 18.343 ( -0.174 -0.301 0.000) 0.348 18.450 ( -3.608 -6.250 0.000) 7.216 19.438 ( 2.002 3.468 0.000) 4.005 20.083 ( 0.153 0.266 0.000) 0.307 20.090 ( -0.152 -0.264 0.000) 0.304 20.167 ( 2.530 4.383 0.000) 5.061 24.662 ( 8.863 15.352 0.000) 17.727 25.060 ( -9.961 -17.253 0.000) 19.922 31.696 ( 2.869 4.969 0.000) 5.737 31.806 ( -2.096 -3.631 0.000) 4.193 36.535 ( -2.053 -3.556 0.000) 4.106 38.940 ( 11.989 20.765 0.000) 23.978 39.392 ( -7.246 -12.550 0.000) 14.491 41.504 ( -2.218 -3.842 0.000) 4.437 ======================= Grid point 55 (9/56) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 0.000 0.000 23.890) 23.890 0.450 ( -0.000 0.000 23.890) 23.890 1.481 ( 0.000 -0.000 71.594) 71.594 2.280 ( -0.000 0.000 48.504) 48.504 2.280 ( 0.000 0.000 48.504) 48.504 2.668 ( 0.000 -0.000 1.815) 1.815 3.012 ( -0.000 0.000 -1.143) 1.143 3.012 ( -0.000 0.000 -1.143) 1.143 3.479 ( -0.000 0.000 -3.404) 3.404 3.479 ( -0.000 0.000 -3.404) 3.404 3.828 ( 0.000 -0.000 11.614) 11.614 3.998 ( 0.000 -0.000 1.914) 1.914 4.083 ( 0.000 0.000 9.231) 9.231 4.083 ( 0.000 0.000 9.231) 9.231 4.102 ( 0.000 0.000 -1.966) 1.966 4.364 ( 0.000 0.000 -6.153) 6.153 4.364 ( 0.000 0.000 -6.153) 6.153 4.574 ( 0.000 0.000 -10.050) 10.050 4.870 ( 0.000 0.000 23.555) 23.555 4.870 ( 0.000 0.000 23.555) 23.555 5.827 ( 0.000 0.000 -9.749) 9.749 5.827 ( -0.000 0.000 -9.749) 9.749 5.837 ( 0.000 0.000 -7.103) 7.103 5.911 ( 0.000 0.000 -11.135) 11.135 6.258 ( 0.000 0.000 -23.128) 23.128 7.110 ( 0.000 -0.000 1.982) 1.982 7.110 ( 0.000 0.000 1.982) 1.982 7.483 ( 0.000 0.000 19.358) 19.358 7.488 ( 0.000 0.000 -11.799) 11.799 7.488 ( 0.000 0.000 -11.799) 11.799 8.375 ( 0.000 0.000 15.443) 15.443 8.599 ( 0.000 0.000 13.784) 13.784 8.599 ( 0.000 0.000 13.784) 13.784 8.921 ( 0.000 0.000 7.764) 7.764 8.921 ( 0.000 0.000 7.764) 7.764 9.225 ( -0.000 0.000 21.269) 21.269 9.225 ( 0.000 0.000 21.269) 21.269 10.271 ( 0.000 0.000 -7.104) 7.104 10.751 ( 0.000 -0.000 12.830) 12.830 11.737 ( 0.000 0.000 -1.249) 1.249 11.737 ( 0.000 0.000 -1.249) 1.249 12.774 ( 0.000 0.000 -1.757) 1.757 16.377 ( -0.000 0.000 30.892) 30.892 16.377 ( 0.000 0.000 30.892) 30.892 18.462 ( 0.000 0.000 -0.876) 0.876 18.462 ( 0.000 0.000 -0.876) 0.876 18.785 ( -0.000 0.000 -2.420) 2.420 18.785 ( 0.000 0.000 -2.420) 2.420 19.384 ( 0.000 0.000 -3.289) 3.289 20.099 ( -0.000 0.000 2.961) 2.961 20.109 ( 0.000 0.000 4.565) 4.565 23.857 ( 0.000 0.000 8.692) 8.692 23.857 ( -0.000 0.000 8.692) 8.692 24.860 ( 0.000 0.000 9.326) 9.326 31.436 ( -0.000 0.000 -2.306) 2.306 31.863 ( -0.000 0.000 -0.645) 0.645 36.805 ( 0.000 0.000 -2.274) 2.274 36.805 ( 0.000 0.000 -2.274) 2.274 39.468 ( -0.000 0.000 -7.612) 7.612 39.468 ( 0.000 0.000 -7.612) 7.612 ======================= Grid point 56 (10/56) ======================= q-point: ( 0.14 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 22.331 12.893 12.116) 28.490 1.150 ( 30.471 17.592 16.470) 38.849 1.649 ( 19.610 11.322 55.558) 59.996 2.273 ( -0.057 -0.033 48.647) 48.647 2.278 ( -0.009 -0.005 47.818) 47.818 2.682 ( 1.180 0.681 1.901) 2.339 2.972 ( -4.679 -2.702 -1.371) 5.575 2.997 ( -1.493 -0.862 -1.374) 2.205 3.300 ( -20.946 -12.093 -3.366) 24.420 3.487 ( 0.557 0.322 -2.841) 2.913 3.614 ( -7.036 -4.062 6.145) 10.187 3.763 ( -4.468 -2.580 16.593) 17.377 3.828 ( -8.919 -5.149 6.137) 11.989 4.203 ( 3.278 1.893 2.774) 4.693 4.261 ( 1.456 0.841 2.405) 2.935 4.418 ( 5.640 3.256 -2.812) 7.093 4.577 ( 1.479 0.854 -10.733) 10.868 4.777 ( 13.855 7.999 6.724) 17.354 4.853 ( -1.377 -0.795 20.620) 20.681 4.940 ( 13.737 7.931 14.041) 21.184 5.711 ( -22.329 -12.892 23.118) 34.630 5.788 ( -7.408 -4.277 -5.685) 10.271 5.812 ( -4.680 -2.702 -4.702) 7.163 5.863 ( -1.742 -1.005 -9.695) 9.901 5.871 ( -5.193 -2.998 -3.120) 6.760 6.671 ( -11.082 -6.398 19.547) 23.363 7.160 ( 4.363 2.519 2.052) 5.440 7.448 ( 0.191 0.110 -22.055) 22.056 7.504 ( 1.706 0.985 -9.014) 9.227 7.899 ( 10.786 6.227 -9.016) 15.375 8.261 ( -9.115 -5.262 12.938) 16.678 8.522 ( -6.536 -3.774 10.335) 12.798 8.567 ( -1.733 -1.001 12.650) 12.808 8.813 ( -2.409 -1.391 14.401) 14.667 9.022 ( 6.354 3.669 10.922) 13.157 9.197 ( 0.624 0.360 24.969) 24.979 9.231 ( 0.709 0.409 21.503) 21.518 10.412 ( -5.604 -3.236 -5.757) 8.662 10.991 ( 14.989 8.654 -6.974) 18.660 11.774 ( 3.630 2.096 -1.970) 4.631 11.944 ( 17.307 9.992 -22.027) 29.742 12.787 ( 1.209 0.698 -2.070) 2.496 16.379 ( 0.197 0.114 31.125) 31.126 16.382 ( 0.456 0.263 31.086) 31.090 18.230 ( -26.169 -15.108 27.651) 40.959 18.281 ( -14.784 -8.536 -1.024) 17.102 18.650 ( -10.455 -6.036 -1.503) 12.166 18.760 ( -0.840 -0.485 -1.294) 1.617 19.570 ( 13.133 7.582 -2.620) 15.389 20.076 ( -6.490 -3.747 15.386) 17.114 20.101 ( 0.186 0.107 3.016) 3.023 20.682 (-101.922 -58.844 128.464) 174.223 23.974 ( 10.042 5.798 8.227) 14.217 25.668 ( 6.485 3.744 -11.863) 14.029 31.456 ( 1.846 1.066 -2.479) 3.269 31.843 ( -0.461 -0.266 -2.067) 2.134 36.779 ( -2.103 -1.214 -2.079) 3.197 37.703 ( 29.289 16.910 -31.517) 46.229 39.476 ( 0.730 0.421 -8.292) 8.335 40.433 ( 53.704 31.006 -67.088) 91.358 ======================= Grid point 57 (11/56) ======================= q-point: ( 0.29 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 14.218 8.209 6.560) 17.680 1.512 ( 11.570 6.680 40.907) 43.034 1.943 ( -5.292 -3.056 18.957) 19.918 2.270 ( -0.699 -0.404 46.839) 46.846 2.353 ( 0.141 0.082 40.684) 40.685 2.686 ( -0.662 -0.382 2.495) 2.610 2.906 ( 10.962 6.329 3.572) 13.152 2.946 ( -2.253 -1.301 -2.093) 3.339 3.043 ( -1.438 -0.830 0.695) 1.800 3.492 ( -0.435 -0.251 -0.855) 0.992 3.579 ( 0.141 0.081 3.884) 3.887 3.650 ( -4.800 -2.771 12.258) 13.452 3.714 ( -1.484 -0.857 13.414) 13.523 4.190 ( -3.772 -2.178 2.464) 5.004 4.279 ( 0.502 0.290 3.465) 3.514 4.558 ( 4.536 2.619 -5.033) 7.263 4.670 ( 8.147 4.704 -5.961) 11.136 4.805 ( -1.724 -0.995 15.150) 15.280 4.863 ( 1.034 0.597 20.937) 20.971 5.266 ( -6.668 -3.850 42.531) 43.223 5.386 ( 6.844 3.951 7.819) 11.117 5.602 ( -1.691 -0.976 -6.972) 7.240 5.791 ( -0.156 -0.090 -5.607) 5.610 5.818 ( -1.150 -0.664 -8.503) 8.606 5.891 ( 1.369 0.790 -13.592) 13.684 6.491 ( -8.345 -4.818 6.209) 11.463 7.284 ( 6.601 3.811 0.968) 7.683 7.449 ( 0.137 0.079 -14.867) 14.868 7.560 ( 3.112 1.797 -1.734) 3.990 7.945 ( -6.710 -3.874 -3.673) 8.575 8.098 ( -2.726 -1.574 -5.308) 6.171 8.353 ( -8.649 -4.994 4.681) 11.030 8.527 ( -2.103 -1.214 13.431) 13.649 8.824 ( 1.541 0.890 14.042) 14.154 9.107 ( 1.551 0.896 23.392) 23.461 9.269 ( 4.901 2.830 19.848) 20.639 9.283 ( 5.282 3.049 16.654) 17.735 10.158 ( -15.352 -8.863 3.348) 18.040 11.149 ( 2.465 1.423 -1.139) 3.066 11.896 ( 7.432 4.291 -4.461) 9.672 12.256 ( 8.201 4.735 -27.944) 29.505 12.827 ( 2.563 1.480 -4.560) 5.436 16.384 ( 0.235 0.136 31.595) 31.596 16.392 ( 0.352 0.204 32.108) 32.111 17.501 ( -29.568 -17.071 70.925) 78.715 17.940 ( -14.942 -8.626 -1.380) 17.308 18.416 ( -10.081 -5.820 -0.297) 11.644 18.758 ( 0.406 0.235 -0.349) 0.585 19.627 ( -8.976 -5.183 50.711) 51.760 19.841 ( 10.315 5.955 -1.540) 12.010 20.107 ( 0.314 0.181 3.157) 3.178 20.143 ( -1.238 -0.715 5.058) 5.256 24.242 ( 13.486 7.786 7.177) 17.147 25.580 ( -9.682 -5.590 -1.930) 11.345 31.512 ( 3.109 1.795 -2.918) 4.626 31.837 ( -0.427 -0.247 -3.130) 3.168 36.732 ( -1.904 -1.099 -1.781) 2.830 38.071 ( 10.159 5.865 -16.658) 20.374 39.498 ( 1.206 0.696 -9.937) 10.034 41.119 ( 14.644 8.455 -49.470) 52.280 ======================= Grid point 58 (12/56) ======================= q-point: ( 0.43 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -1.488 -0.859 1.402) 2.218 1.683 ( -0.787 -0.454 52.020) 52.028 1.790 ( 1.951 1.127 2.370) 3.270 2.215 ( -2.732 -1.577 45.083) 45.193 2.330 ( 0.612 0.353 45.478) 45.484 2.690 ( -0.068 -0.039 1.021) 1.024 2.878 ( -1.937 -1.118 -1.558) 2.726 2.970 ( -1.075 -0.621 -0.018) 1.241 3.314 ( 10.060 5.808 2.030) 11.792 3.469 ( -0.625 -0.361 2.546) 2.646 3.569 ( -0.468 -0.270 3.900) 3.937 3.642 ( 2.163 1.249 7.492) 7.897 3.721 ( 2.330 1.345 16.931) 17.143 4.070 ( -5.967 -3.445 3.860) 7.898 4.284 ( 0.022 0.013 3.088) 3.088 4.616 ( 1.279 0.739 -8.286) 8.417 4.762 ( -0.309 -0.178 9.803) 9.810 4.853 ( 3.750 2.165 12.137) 12.886 4.888 ( 1.943 1.122 7.496) 7.825 5.120 ( -4.436 -2.561 48.774) 49.042 5.389 ( -0.255 -0.147 0.060) 0.301 5.752 ( 3.484 2.012 -14.075) 14.639 5.797 ( 0.395 0.228 -4.790) 4.812 5.812 ( 1.110 0.641 -13.455) 13.516 5.981 ( 9.281 5.358 -0.375) 10.723 6.265 ( -12.310 -7.107 4.245) 14.834 7.388 ( 1.448 0.836 -11.518) 11.638 7.503 ( 6.068 3.503 10.797) 12.871 7.611 ( 0.310 0.179 12.847) 12.852 7.761 ( -7.209 -4.162 -16.952) 18.885 8.086 ( 0.383 0.221 -16.747) 16.753 8.186 ( -5.445 -3.143 -2.899) 6.923 8.484 ( -1.458 -0.842 15.193) 15.286 8.844 ( 0.292 0.169 14.538) 14.542 9.118 ( 0.007 0.004 30.226) 30.226 9.348 ( 2.036 1.175 19.983) 20.121 9.485 ( 12.838 7.412 10.004) 17.884 9.807 ( -16.274 -9.396 7.552) 20.252 11.173 ( 0.370 0.213 1.510) 1.570 12.066 ( 6.846 3.953 -9.199) 12.129 12.297 ( -2.340 -1.351 -15.495) 15.728 12.882 ( 1.765 1.019 -7.820) 8.081 16.388 ( 0.136 0.079 32.007) 32.008 16.395 ( -0.059 -0.034 33.635) 33.636 17.102 ( -8.413 -4.857 60.089) 60.869 17.700 ( -6.190 -3.574 -0.362) 7.156 18.256 ( -4.032 -2.328 0.459) 4.678 18.767 ( 0.277 0.160 -0.010) 0.320 19.580 ( 0.500 0.289 27.926) 27.932 19.995 ( 3.631 2.097 -1.578) 4.480 20.113 ( 0.195 0.112 3.287) 3.295 20.132 ( -0.117 -0.067 3.672) 3.675 24.492 ( 7.743 4.470 6.081) 10.813 25.372 ( -7.066 -4.079 1.514) 8.298 31.572 ( 1.860 1.074 -3.386) 4.009 31.824 ( -0.564 -0.326 -3.237) 3.302 36.704 ( -0.667 -0.385 -1.629) 1.802 38.212 ( 3.201 1.848 -12.645) 13.174 39.520 ( 0.635 0.366 -11.337) 11.361 41.272 ( 2.315 1.336 -33.717) 33.823 ======================= Grid point 63 (13/56) ======================= q-point: ( 0.14 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 8.180 14.169 6.402) 17.569 1.441 ( 5.951 10.307 43.517) 45.115 2.033 ( 7.689 13.318 25.289) 29.598 2.266 ( -0.464 -0.803 45.817) 45.826 2.366 ( 9.087 15.739 40.169) 44.089 2.670 ( -3.535 -6.124 2.932) 7.655 2.844 ( -5.948 -10.302 -0.603) 11.912 2.936 ( -1.041 -1.804 -0.782) 2.225 3.055 ( -3.557 -6.161 1.280) 7.228 3.498 ( 0.533 0.923 -1.626) 1.944 3.580 ( 0.020 0.034 4.310) 4.311 3.679 ( -2.932 -5.078 13.405) 14.631 3.737 ( -1.970 -3.413 11.636) 12.285 4.224 ( -1.848 -3.201 0.276) 3.706 4.241 ( -0.210 -0.364 3.858) 3.881 4.553 ( 6.072 10.517 0.818) 12.172 4.621 ( 2.492 4.317 -9.657) 10.867 4.822 ( -1.153 -1.998 16.835) 16.992 4.848 ( 0.630 1.092 19.478) 19.519 5.279 ( 12.535 21.712 -0.278) 25.072 5.372 ( -8.869 -15.362 49.529) 52.610 5.632 ( -5.883 -10.189 -5.306) 12.907 5.793 ( 0.006 0.010 -6.015) 6.015 5.831 ( -0.774 -1.340 -7.611) 7.767 5.874 ( 0.349 0.605 -15.084) 15.100 6.541 ( -4.179 -7.239 7.980) 11.556 7.236 ( 3.084 5.343 1.519) 6.353 7.460 ( 0.260 0.451 -20.487) 20.493 7.533 ( 1.404 2.431 -1.187) 3.048 7.998 ( 1.368 2.370 -11.989) 12.297 8.094 ( -6.184 -10.711 6.746) 14.088 8.414 ( -4.966 -8.601 6.887) 12.085 8.530 ( -0.630 -1.091 11.906) 11.973 8.855 ( 2.795 4.841 16.253) 17.187 9.075 ( 0.706 1.223 14.688) 14.755 9.208 ( 1.159 2.008 24.425) 24.535 9.279 ( 2.458 4.258 18.819) 19.450 10.241 ( -8.175 -14.160 1.980) 16.470 11.141 ( 2.934 5.081 -3.259) 6.712 11.848 ( 3.405 5.898 -3.171) 7.512 12.188 ( 6.332 10.967 -29.410) 32.021 12.824 ( 2.050 3.550 -4.218) 5.882 16.383 ( 0.140 0.243 31.542) 31.544 16.390 ( 0.274 0.475 31.650) 31.654 17.685 ( -20.248 -35.070 68.676) 79.726 18.030 ( -9.080 -15.728 -1.634) 18.234 18.541 ( -4.778 -8.276 -1.192) 9.630 18.675 ( -2.577 -4.463 0.328) 5.164 19.712 ( -10.535 -18.247 65.217) 68.536 19.790 ( 7.762 13.444 -2.150) 15.672 20.105 ( 0.171 0.297 3.110) 3.129 20.153 ( -1.623 -2.811 7.567) 8.233 24.167 ( 7.960 13.787 7.539) 17.614 25.621 ( -5.224 -9.048 -3.480) 11.012 31.497 ( 1.864 3.229 -2.771) 4.646 31.838 ( -0.262 -0.453 -3.022) 3.067 36.716 ( -2.648 -4.587 -1.573) 5.525 38.063 ( 10.595 18.351 -19.717) 28.944 39.472 ( -0.493 -0.853 -9.631) 9.681 41.007 ( 12.171 21.081 -55.777) 60.858 ======================= Grid point 64 (14/56) ======================= q-point: ( 0.29 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 10.844 6.709 2.385) 12.973 1.607 ( 6.223 4.588 46.471) 47.110 1.977 ( -15.910 1.703 18.988) 24.830 2.245 ( -1.840 -2.408 40.619) 40.732 2.367 ( -8.955 0.184 33.998) 35.158 2.640 ( 4.642 -8.011 5.732) 10.889 2.868 ( 5.026 -2.507 -0.497) 5.639 2.971 ( -1.832 -1.902 0.991) 2.821 3.044 ( 11.723 0.773 3.361) 12.219 3.540 ( 1.313 5.815 0.894) 6.028 3.590 ( -0.377 1.342 5.190) 5.374 3.622 ( 0.154 0.241 9.494) 9.498 3.708 ( 0.332 0.351 14.009) 14.018 4.122 ( -5.114 -5.319 1.917) 7.624 4.228 ( 1.573 -4.325 4.552) 6.473 4.691 ( -0.962 9.942 -5.954) 11.629 4.767 ( 1.971 2.704 6.285) 7.120 4.812 ( 4.436 4.067 9.860) 11.551 4.869 ( 1.980 0.914 14.391) 14.555 5.175 ( -5.249 -4.707 46.316) 46.849 5.458 ( -5.520 3.356 -0.588) 6.487 5.647 ( 10.947 4.412 -6.324) 13.390 5.800 ( -1.048 -0.342 -6.392) 6.487 5.815 ( 0.936 1.691 -9.854) 10.041 5.906 ( 4.077 1.750 -9.725) 10.690 6.372 ( -8.627 -8.086 5.465) 13.026 7.347 ( 5.022 3.211 -0.849) 6.021 7.460 ( 0.184 0.187 -11.110) 11.113 7.577 ( 1.520 -0.839 11.844) 11.971 7.888 ( -8.548 -1.138 -8.601) 12.180 8.034 ( 3.197 -3.971 -14.276) 15.159 8.231 ( -6.646 -8.173 -0.204) 10.536 8.516 ( -1.172 0.638 12.480) 12.551 8.921 ( -3.513 8.204 17.606) 19.739 9.096 ( 2.629 -1.705 25.096) 25.291 9.293 ( 6.300 2.219 19.006) 20.145 9.375 ( 5.324 4.192 14.471) 15.979 9.930 ( -12.409 -14.687 6.543) 20.310 11.194 ( -0.106 3.009 0.092) 3.012 11.990 ( 7.028 5.538 -5.950) 10.745 12.271 ( 0.214 -3.361 -18.839) 19.138 12.908 ( 1.440 6.361 -8.406) 10.640 16.387 ( 0.152 0.200 32.085) 32.086 16.396 ( 0.016 0.136 33.004) 33.004 17.182 ( -11.497 -14.375 63.632) 66.241 17.767 ( -7.838 -8.405 -1.084) 11.543 18.354 ( -9.539 -1.514 0.039) 9.659 18.640 ( 5.661 -10.707 0.658) 12.129 19.597 ( -0.466 1.635 32.103) 32.148 20.004 ( 3.984 9.902 -1.755) 10.817 20.112 ( 0.234 0.348 3.262) 3.289 20.132 ( -0.221 -0.435 3.752) 3.784 24.442 ( 8.828 13.151 6.541) 17.136 25.391 ( -7.403 -14.215 1.074) 16.063 31.568 ( 2.141 4.208 -3.204) 5.706 31.820 ( -0.613 -1.755 -3.357) 3.837 36.640 ( 0.569 -7.073 -1.017) 7.168 38.353 ( 0.923 22.068 -14.661) 26.510 39.448 ( 2.028 -6.607 -11.625) 13.525 41.220 ( 4.169 1.922 -36.055) 36.346 ======================= Grid point 65 (15/56) ======================= q-point: ( 0.43 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -8.995 15.580 0.586) 18.000 1.669 ( -0.097 0.169 38.349) 38.350 1.782 ( 0.946 -1.639 16.400) 16.509 2.192 ( 0.753 -1.304 41.334) 41.362 2.332 ( 0.119 -0.207 46.156) 46.156 2.622 ( 5.097 -8.829 3.201) 10.685 2.900 ( -1.702 2.948 -1.494) 3.718 2.931 ( 2.133 -3.694 0.479) 4.292 3.140 ( 7.194 -12.460 2.820) 14.661 3.578 ( -0.728 1.260 4.500) 4.730 3.592 ( -2.869 4.969 7.437) 9.393 3.648 ( 0.412 -0.713 6.486) 6.538 3.756 ( -1.403 2.431 11.619) 11.954 4.019 ( 1.083 -1.876 2.910) 3.628 4.220 ( 2.718 -4.707 4.617) 7.131 4.730 ( -4.841 8.384 -5.463) 11.116 4.767 ( -0.441 0.764 11.464) 11.498 4.861 ( -0.012 0.021 19.139) 19.139 4.953 ( -2.168 3.755 -6.798) 8.063 5.087 ( 0.609 -1.054 44.422) 44.439 5.455 ( -4.044 7.004 4.863) 9.438 5.737 ( 1.135 -1.965 -10.106) 10.357 5.786 ( 0.759 -1.315 -3.953) 4.235 5.835 ( -0.491 0.850 -22.094) 22.116 6.068 ( 0.616 -1.067 5.724) 5.855 6.151 ( 0.595 -1.031 3.848) 4.027 7.403 ( -0.596 1.033 -10.173) 10.243 7.513 ( 2.917 -5.052 3.777) 6.949 7.534 ( 1.259 -2.181 18.391) 18.563 7.817 ( -3.938 6.821 -15.108) 17.038 8.067 ( 1.291 -2.236 -19.399) 19.570 8.099 ( 2.767 -4.793 -3.439) 6.516 8.507 ( -1.378 2.387 12.980) 13.269 8.923 ( -4.355 7.543 17.293) 19.363 9.110 ( 0.491 -0.850 30.542) 30.557 9.358 ( -0.156 0.270 19.001) 19.003 9.593 ( 2.166 -3.752 6.621) 7.913 9.606 ( 2.213 -3.832 12.101) 12.885 11.207 ( -1.668 2.889 0.818) 3.435 12.127 ( -0.825 1.428 -10.896) 11.020 12.201 ( 3.533 -6.119 -10.203) 12.410 12.954 ( -2.860 4.954 -9.300) 10.918 16.390 ( -0.067 0.116 32.338) 32.338 16.395 ( -0.027 0.046 33.901) 33.901 17.028 ( 1.565 -2.711 56.028) 56.116 17.659 ( 0.416 -0.720 -0.554) 1.000 18.264 ( -1.775 3.074 0.541) 3.591 18.637 ( 6.803 -11.783 0.588) 13.618 19.612 ( -1.478 2.560 24.852) 25.027 20.083 ( -3.162 5.476 -1.392) 6.475 20.116 ( -0.085 0.147 3.326) 3.330 20.131 ( -0.085 0.147 3.320) 3.324 24.608 ( -4.386 7.597 5.794) 10.513 25.228 ( 5.942 -10.291 2.787) 12.205 31.614 ( -1.840 3.187 -3.484) 5.068 31.801 ( 1.214 -2.103 -3.333) 4.123 36.611 ( 4.044 -7.005 -0.819) 8.130 38.470 ( -12.730 22.048 -13.424) 28.782 39.429 ( 5.799 -10.044 -12.636) 17.151 41.254 ( 1.472 -2.549 -29.423) 29.570 ======================= Grid point 72 (16/56) ======================= q-point: ( 0.29 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 12.777 22.131 0.416) 25.558 1.695 ( 2.136 3.700 49.773) 49.956 1.925 ( -5.193 -8.995 14.407) 17.760 2.133 ( -5.945 -10.297 14.299) 18.596 2.347 ( -0.745 -1.291 37.845) 37.874 2.426 ( -4.160 -7.206 30.670) 31.779 2.873 ( -0.014 -0.025 1.418) 1.418 2.949 ( 0.801 1.387 -1.219) 2.013 3.021 ( -1.431 -2.479 0.647) 2.935 3.604 ( 0.806 1.395 5.775) 5.995 3.615 ( 0.638 1.105 8.891) 8.982 3.642 ( -0.420 -0.727 9.706) 9.742 3.793 ( 4.871 8.437 5.279) 11.081 3.992 ( -4.561 -7.899 1.837) 9.304 4.172 ( -0.762 -1.319 6.825) 6.993 4.782 ( 0.278 0.482 12.920) 12.932 4.795 ( 0.273 0.474 11.774) 11.786 4.923 ( 2.965 5.136 -5.068) 7.800 4.943 ( 3.452 5.980 4.231) 8.098 5.087 ( -2.960 -5.126 33.073) 33.599 5.577 ( 5.027 8.707 7.241) 12.390 5.702 ( 0.912 1.579 -5.023) 5.344 5.765 ( -2.000 -3.465 -3.463) 5.291 5.842 ( 0.249 0.432 -23.837) 23.842 5.994 ( 4.130 7.154 2.867) 8.744 6.185 ( -6.424 -11.126 6.020) 14.188 7.415 ( 2.168 3.755 1.236) 4.508 7.449 ( -0.401 -0.694 -8.267) 8.306 7.518 ( -2.533 -4.387 16.494) 17.254 7.921 ( 1.847 3.199 -10.108) 10.762 7.988 ( -0.026 -0.046 -16.674) 16.674 8.075 ( -4.359 -7.550 -9.925) 13.210 8.534 ( 0.381 0.659 11.014) 11.040 9.063 ( 1.924 3.333 27.131) 27.402 9.066 ( 0.326 0.564 24.283) 24.292 9.376 ( 3.799 6.580 14.158) 16.068 9.438 ( 2.143 3.712 13.273) 13.948 9.641 ( -8.796 -15.236 9.262) 19.882 11.244 ( 1.012 1.752 -0.340) 2.052 12.089 ( 2.755 4.772 -7.641) 9.420 12.180 ( -2.961 -5.128 -11.426) 12.869 13.008 ( 1.833 3.176 -9.925) 10.581 16.391 ( 0.131 0.227 32.850) 32.852 16.396 ( -0.078 -0.136 33.608) 33.608 17.003 ( -2.711 -4.696 54.494) 54.763 17.657 ( -1.759 -3.047 -1.072) 3.678 18.343 ( 0.074 0.128 0.475) 0.498 18.458 ( -3.725 -6.453 1.297) 7.563 19.643 ( 1.144 1.981 24.013) 24.122 20.116 ( 0.296 0.513 3.171) 3.226 20.125 ( -0.184 -0.318 3.468) 3.487 20.151 ( 2.435 4.218 -1.469) 5.087 24.713 ( 8.506 14.732 5.649) 17.925 25.090 ( -9.281 -16.075 3.677) 18.922 31.659 ( 2.800 4.850 -3.444) 6.575 31.768 ( -2.085 -3.611 -3.493) 5.439 36.533 ( -1.900 -3.291 -0.157) 3.803 38.785 ( 12.053 20.877 -14.590) 28.178 39.249 ( -7.807 -13.522 -13.739) 20.798 41.221 ( -0.398 -0.690 -27.060) 27.072 ======================= Grid point 110 (17/56) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.000 0.000 23.769) 23.769 0.923 ( 0.000 0.000 23.769) 23.769 2.715 ( 0.000 0.000 2.606) 2.606 2.743 ( 0.000 0.000 54.964) 54.964 2.941 ( 0.000 0.000 0.827) 0.827 2.941 ( -0.000 0.000 0.827) 0.827 3.278 ( -0.000 0.000 33.037) 33.037 3.278 ( -0.000 0.000 33.037) 33.037 3.435 ( 0.000 -0.000 2.063) 2.063 3.435 ( 0.000 0.000 2.063) 2.063 3.982 ( 0.000 -0.000 1.776) 1.776 4.019 ( 0.000 0.000 -7.573) 7.573 4.175 ( 0.000 -0.000 -7.700) 7.700 4.175 ( 0.000 0.000 -7.700) 7.700 4.232 ( 0.000 0.000 23.800) 23.800 4.346 ( -0.000 0.000 -10.801) 10.801 4.371 ( -0.000 0.000 18.420) 18.420 4.371 ( 0.000 0.000 18.420) 18.420 5.091 ( -0.000 0.000 -2.691) 2.691 5.091 ( -0.000 0.000 -2.691) 2.691 5.363 ( 0.000 -0.000 -37.696) 37.696 5.661 ( 0.000 -0.000 -10.263) 10.263 5.739 ( -0.000 0.000 -2.364) 2.364 5.739 ( -0.000 0.000 -2.364) 2.364 6.058 ( 0.000 -0.000 -2.697) 2.697 7.045 ( 0.000 0.000 5.615) 5.615 7.045 ( 0.000 0.000 5.615) 5.615 7.572 ( -0.000 0.000 9.344) 9.344 7.572 ( 0.000 0.000 9.344) 9.344 7.812 ( 0.000 0.000 13.527) 13.527 8.766 ( 0.000 0.000 22.908) 22.908 8.836 ( 0.000 0.000 5.847) 5.847 8.836 ( 0.000 0.000 5.847) 5.847 9.100 ( -0.000 -0.000 18.582) 18.582 9.100 ( -0.000 0.000 18.582) 18.582 9.778 ( -0.000 0.000 29.890) 29.890 9.778 ( 0.000 0.000 29.890) 29.890 10.175 ( -0.000 -0.000 -2.166) 2.166 11.024 ( 0.000 -0.000 14.533) 14.533 11.704 ( -0.000 0.000 -1.920) 1.920 11.704 ( 0.000 0.000 -1.920) 1.920 12.728 ( 0.000 0.000 -2.705) 2.705 17.164 ( 0.000 0.000 45.369) 45.369 17.164 ( -0.000 0.000 45.369) 45.369 18.437 ( 0.000 0.000 -1.619) 1.619 18.437 ( -0.000 0.000 -1.619) 1.619 18.720 ( 0.000 0.000 -3.954) 3.954 18.720 ( -0.000 0.000 -3.954) 3.954 19.293 ( 0.000 0.000 -5.846) 5.846 20.181 ( 0.000 0.000 5.136) 5.136 20.228 ( 0.000 0.000 7.112) 7.112 24.142 ( 0.000 0.000 20.918) 20.918 24.142 ( -0.000 0.000 20.918) 20.918 25.121 ( 0.000 0.000 16.693) 16.693 31.380 ( 0.000 0.000 -3.117) 3.117 31.847 ( 0.000 0.000 -0.868) 0.868 36.747 ( -0.000 0.000 -3.453) 3.453 36.747 ( 0.000 0.000 -3.453) 3.453 39.261 ( 0.000 0.000 -12.890) 12.890 39.261 ( -0.000 0.000 -12.890) 12.890 ======================= Grid point 111 (18/56) ======================= q-point: ( 0.14 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 13.435 7.756 18.637) 24.248 1.353 ( 27.522 15.890 10.263) 33.396 2.718 ( 0.163 0.094 2.739) 2.745 2.792 ( 1.910 1.103 47.995) 48.046 2.921 ( -3.268 -1.887 -0.320) 3.787 2.933 ( -0.467 -0.270 2.767) 2.819 3.135 ( -9.485 -5.476 15.560) 19.028 3.237 ( -1.963 -1.133 28.495) 28.585 3.370 ( -5.657 -3.266 20.617) 21.627 3.494 ( 4.288 2.476 9.128) 10.384 3.713 ( -7.677 -4.432 3.107) 9.393 3.927 ( -4.549 -2.627 4.419) 6.865 4.176 ( -2.329 -1.345 18.346) 18.543 4.238 ( 3.288 1.899 3.146) 4.931 4.274 ( 0.384 0.222 -14.352) 14.359 4.350 ( 1.934 1.117 7.938) 8.246 4.433 ( 4.606 2.659 11.787) 12.931 4.757 ( 22.557 13.024 -2.559) 26.172 5.022 ( -4.713 -2.721 -5.136) 7.483 5.111 ( 1.807 1.043 -3.624) 4.182 5.366 ( -0.892 -0.515 -31.335) 31.352 5.632 ( -2.257 -1.303 -11.099) 11.401 5.703 ( -2.964 -1.711 -4.517) 5.667 5.751 ( 0.857 0.495 0.265) 1.024 6.000 ( -2.974 -1.717 4.084) 5.336 7.076 ( 1.999 1.154 7.648) 7.989 7.092 ( 3.970 2.292 4.176) 6.201 7.393 ( -12.535 -7.237 22.831) 27.033 7.605 ( 3.216 1.857 9.462) 10.165 7.880 ( 2.878 1.662 2.605) 4.222 8.581 ( -12.120 -6.997 15.130) 20.610 8.744 ( -7.936 -4.582 9.621) 13.287 8.870 ( 0.844 0.487 18.798) 18.824 9.055 ( -2.403 -1.387 16.236) 16.471 9.197 ( 7.207 4.161 13.608) 15.951 9.771 ( -0.007 -0.004 29.722) 29.722 9.794 ( 1.423 0.822 29.860) 29.905 10.284 ( 4.067 2.348 -3.909) 6.110 11.076 ( 5.179 2.990 10.949) 12.476 11.721 ( 1.573 0.908 -3.670) 4.094 11.734 ( 3.344 1.931 -4.955) 6.282 12.737 ( 0.642 0.371 -2.960) 3.051 17.162 ( -0.272 -0.157 44.120) 44.121 17.166 ( 0.188 0.108 44.778) 44.779 18.239 ( -15.231 -8.793 -2.614) 17.780 18.391 ( -4.808 -2.776 0.586) 5.582 18.612 ( -8.295 -4.789 -1.883) 9.761 18.723 ( 1.049 0.605 -2.012) 2.348 19.496 ( 14.291 8.251 -4.651) 17.144 20.184 ( 0.301 0.174 5.210) 5.222 20.227 ( -0.059 -0.034 7.061) 7.062 22.702 ( -85.093 -49.128 75.118) 123.681 24.245 ( 8.919 5.149 20.061) 22.550 25.567 ( 12.349 7.130 2.933) 14.558 31.396 ( 1.473 0.850 -3.352) 3.759 31.812 ( -2.102 -1.214 -1.047) 2.644 36.726 ( -1.701 -0.982 -3.130) 3.696 37.199 ( 29.307 16.921 -18.540) 38.587 39.252 ( -0.783 -0.452 -13.853) 13.883 39.596 ( 26.983 15.579 -28.230) 42.044 ======================= Grid point 112 (19/56) ======================= q-point: ( 0.29 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 8.932 5.157 10.922) 15.022 1.749 ( 6.975 4.027 0.149) 8.056 2.586 ( -10.033 -5.793 19.430) 22.622 2.719 ( -0.562 -0.325 6.374) 6.407 2.868 ( -1.396 -0.806 3.354) 3.721 2.922 ( -1.000 -0.577 6.429) 6.532 3.124 ( -3.303 -1.907 17.538) 17.948 3.231 ( 0.818 0.472 23.033) 23.052 3.364 ( 11.751 6.784 37.803) 40.164 3.574 ( 2.843 1.642 13.410) 13.806 3.657 ( -0.524 -0.302 3.168) 3.226 3.821 ( -3.768 -2.176 7.421) 8.603 4.137 ( -0.926 -0.535 26.542) 26.564 4.247 ( -1.362 -0.786 -0.048) 1.573 4.338 ( 3.297 1.903 -9.281) 10.032 4.393 ( 2.110 1.218 12.142) 12.384 4.543 ( 4.937 2.850 -2.485) 6.218 4.905 ( -3.569 -2.061 -5.234) 6.662 5.105 ( 4.454 2.571 2.607) 5.766 5.205 ( 7.967 4.600 -18.994) 21.104 5.301 ( -4.009 -2.315 -19.346) 19.892 5.584 ( -1.031 -0.595 -8.563) 8.645 5.674 ( 0.670 0.387 -6.167) 6.216 5.775 ( 1.404 0.811 3.319) 3.694 6.005 ( 4.211 2.431 10.922) 11.955 7.025 ( -10.314 -5.955 39.867) 41.608 7.174 ( 2.568 1.483 0.420) 2.995 7.236 ( 2.899 1.674 0.693) 3.418 7.709 ( 5.766 3.329 9.578) 11.665 7.870 ( -3.375 -1.948 -2.741) 4.764 8.310 ( -12.005 -6.931 16.551) 21.589 8.531 ( -11.438 -6.604 12.690) 18.317 8.878 ( 0.071 0.041 21.653) 21.653 9.028 ( -0.328 -0.189 11.419) 11.425 9.371 ( 8.834 5.100 12.260) 15.949 9.781 ( 0.726 0.419 28.706) 28.718 9.835 ( 2.209 1.275 29.142) 29.254 10.228 ( -8.106 -4.680 4.687) 10.468 11.199 ( 4.473 2.582 6.555) 8.345 11.774 ( 3.260 1.882 -7.925) 8.774 11.860 ( 7.489 4.324 -12.534) 15.228 12.750 ( 0.536 0.309 -3.799) 3.849 17.147 ( -1.183 -0.683 39.563) 39.586 17.168 ( -0.190 -0.110 42.688) 42.689 17.911 ( -13.128 -7.579 -0.662) 15.173 18.211 ( -10.987 -6.343 12.169) 17.579 18.429 ( -7.579 -4.376 2.321) 9.054 18.759 ( 1.833 1.058 0.898) 2.300 19.787 ( 11.361 6.559 -3.136) 13.488 20.193 ( 0.481 0.278 5.399) 5.427 20.226 ( -0.051 -0.029 6.791) 6.792 21.242 ( -46.106 -26.619 91.551) 105.905 24.483 ( 11.972 6.912 18.144) 22.810 25.609 ( -4.948 -2.857 6.430) 8.602 31.441 ( 2.558 1.477 -3.914) 4.903 31.777 ( -1.261 -0.728 -2.445) 2.845 36.687 ( -1.596 -0.921 -2.608) 3.193 37.697 ( 16.096 9.293 -19.168) 26.699 39.232 ( -0.954 -0.551 -16.331) 16.368 40.170 ( 21.729 12.545 -43.242) 49.994 ======================= Grid point 113 (20/56) ======================= q-point: ( 0.43 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -5.269 -3.042 3.144) 6.848 1.822 ( 2.533 1.462 3.047) 4.224 2.570 ( 5.340 3.083 23.007) 23.819 2.687 ( -3.051 -1.761 8.286) 9.003 2.845 ( -0.363 -0.210 4.792) 4.811 2.877 ( -2.975 -1.718 9.814) 10.398 3.021 ( -3.007 -1.736 7.385) 8.160 3.264 ( 1.649 0.952 31.450) 31.507 3.514 ( -0.444 -0.257 10.528) 10.541 3.633 ( -0.834 -0.481 2.457) 2.639 3.708 ( 7.288 4.208 29.065) 30.259 3.802 ( 0.730 0.421 7.739) 7.785 4.144 ( 1.834 1.059 24.349) 24.441 4.203 ( -2.726 -1.574 11.208) 11.641 4.359 ( -0.479 -0.276 -5.019) 5.049 4.448 ( 1.981 1.144 12.247) 12.459 4.613 ( 1.322 0.763 -17.190) 17.258 4.853 ( -1.144 -0.660 -5.241) 5.405 5.146 ( 0.943 0.544 1.792) 2.097 5.246 ( -0.672 -0.388 -10.018) 10.048 5.294 ( 0.521 0.301 -25.258) 25.265 5.603 ( 1.704 0.984 -3.752) 4.236 5.686 ( -0.315 -0.182 -4.121) 4.137 5.807 ( 1.308 0.755 4.083) 4.354 6.178 ( 9.185 5.303 9.004) 13.913 6.769 ( -10.411 -6.011 47.194) 48.701 7.234 ( 2.273 1.312 1.368) 2.959 7.324 ( 2.919 1.685 -5.762) 6.675 7.723 ( -3.498 -2.020 -5.059) 6.474 7.901 ( 5.634 3.253 10.277) 12.163 8.128 ( -2.392 -1.381 18.206) 18.414 8.268 ( -11.922 -6.883 14.009) 19.641 8.880 ( 0.100 0.058 23.522) 23.523 9.024 ( -0.130 -0.075 8.524) 8.525 9.561 ( 7.122 4.112 13.925) 16.173 9.801 ( 1.161 0.670 22.575) 22.615 9.882 ( 2.446 1.412 27.742) 27.885 10.013 ( -9.938 -5.738 15.232) 19.071 11.254 ( 1.040 0.601 6.898) 7.002 11.841 ( 2.173 1.254 -12.548) 12.797 11.989 ( 3.283 1.895 -14.187) 14.685 12.759 ( 0.303 0.175 -5.110) 5.122 17.115 ( -1.351 -0.780 31.763) 31.801 17.158 ( -0.452 -0.261 39.993) 39.996 17.725 ( -3.912 -2.258 5.493) 7.111 18.007 ( -5.912 -3.413 26.277) 27.150 18.307 ( -3.224 -1.861 5.881) 6.960 18.788 ( 0.720 0.416 2.824) 2.944 19.957 ( 4.073 2.351 -2.074) 5.140 20.202 ( 0.298 0.172 5.608) 5.619 20.226 ( 0.022 0.013 6.052) 6.052 20.654 ( -11.624 -6.711 78.346) 79.488 24.703 ( 6.709 3.874 16.242) 17.995 25.473 ( -5.149 -2.973 9.969) 11.608 31.490 ( 1.523 0.879 -4.451) 4.785 31.755 ( -0.678 -0.391 -3.199) 3.293 36.663 ( -0.571 -0.330 -2.326) 2.418 37.919 ( 4.961 2.864 -15.641) 16.657 39.216 ( -0.418 -0.242 -18.688) 18.694 40.473 ( 6.667 3.849 -43.630) 44.304 ======================= Grid point 118 (21/56) ======================= q-point: ( 0.14 0.14 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 4.408 7.634 13.108) 15.797 1.765 ( 11.129 19.276 3.130) 22.477 2.673 ( -4.892 -8.473 2.630) 10.131 2.830 ( -2.704 -4.683 -0.524) 5.433 2.833 ( -0.392 -0.679 37.885) 37.893 2.896 ( -1.855 -3.213 3.840) 5.340 2.972 ( -1.613 -2.794 7.741) 8.387 3.309 ( 5.692 9.858 38.425) 40.075 3.342 ( -2.353 -4.075 29.119) 29.497 3.518 ( 1.398 2.422 5.447) 6.123 3.678 ( 0.906 1.569 5.628) 5.912 3.846 ( -2.881 -4.989 7.036) 9.094 4.150 ( -0.960 -1.662 25.065) 25.138 4.235 ( -1.457 -2.523 -4.118) 5.044 4.299 ( 1.865 3.230 2.355) 4.411 4.425 ( 2.861 4.956 0.539) 5.748 4.506 ( 3.184 5.515 2.559) 6.863 4.943 ( -2.492 -4.316 -5.552) 7.460 5.027 ( 5.042 8.733 -1.127) 10.147 5.180 ( 4.445 7.700 -12.151) 15.056 5.323 ( -2.482 -4.300 -23.322) 23.844 5.617 ( 0.289 0.501 -10.086) 10.102 5.654 ( -0.900 -1.559 -5.816) 6.088 5.781 ( 1.600 2.771 4.051) 5.162 5.977 ( 0.172 0.297 9.150) 9.156 7.075 ( -2.825 -4.893 29.231) 29.772 7.164 ( 2.868 4.968 2.028) 6.084 7.226 ( -3.179 -5.506 9.590) 11.505 7.672 ( 3.125 5.413 9.213) 11.133 7.882 ( -1.728 -2.993 -1.897) 3.942 8.371 ( -7.904 -13.690 15.874) 22.403 8.604 ( -5.816 -10.074 11.122) 16.094 8.868 ( 0.036 0.062 22.179) 22.179 9.095 ( 2.515 4.356 12.539) 13.510 9.270 ( 2.485 4.304 12.353) 13.315 9.776 ( 0.367 0.636 28.998) 29.007 9.824 ( 1.266 2.193 29.536) 29.644 10.269 ( -3.275 -5.673 2.016) 6.854 11.172 ( 3.393 5.876 6.715) 9.546 11.766 ( 2.005 3.472 -4.772) 6.233 11.803 ( 3.364 5.827 -12.233) 13.961 12.751 ( 0.679 1.176 -3.649) 3.893 17.160 ( -0.149 -0.257 41.954) 41.955 17.163 ( -0.271 -0.469 42.819) 42.823 17.990 ( -8.693 -15.057 -2.038) 17.505 18.268 ( -5.795 -10.037 8.039) 14.105 18.522 ( -3.827 -6.628 -0.085) 7.654 18.692 ( -0.818 -1.416 1.851) 2.470 19.731 ( 8.191 14.188 -3.724) 16.801 20.190 ( 0.271 0.469 5.338) 5.366 20.226 ( -0.051 -0.089 6.900) 6.901 21.544 ( -33.567 -58.140 92.337) 114.163 24.419 ( 7.191 12.455 18.798) 23.669 25.623 ( -1.854 -3.211 5.339) 6.500 31.429 ( 1.578 2.734 -3.733) 4.889 31.783 ( -0.958 -1.659 -2.125) 2.861 36.676 ( -2.104 -3.644 -2.331) 4.810 37.634 ( 13.893 24.064 -21.147) 34.918 39.216 ( -1.892 -3.277 -15.619) 16.070 40.037 ( 14.765 25.573 -40.698) 50.283 ======================= Grid point 119 (22/56) ======================= q-point: ( 0.29 0.14 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 7.407 3.402 6.816) 10.626 1.901 ( -9.294 6.038 -0.922) 11.122 2.507 ( 0.964 -5.985 10.916) 12.486 2.724 ( -4.473 -1.473 22.957) 23.435 2.865 ( -0.797 0.352 2.461) 2.611 2.875 ( 1.937 -2.226 8.709) 9.195 2.969 ( 3.438 -4.895 6.632) 8.931 3.247 ( -2.393 -2.917 27.187) 27.447 3.423 ( 2.122 -5.819 25.455) 26.197 3.638 ( 3.695 7.620 10.707) 13.651 3.737 ( 1.574 7.690 12.048) 14.380 3.803 ( 1.116 1.967 10.927) 11.159 4.115 ( -0.466 -2.602 25.527) 25.663 4.187 ( -0.536 -4.625 3.995) 6.135 4.336 ( 0.939 -0.550 7.953) 8.027 4.505 ( -0.467 7.611 -1.985) 7.880 4.621 ( 3.041 5.139 -12.173) 13.558 4.879 ( -2.175 -0.387 -4.455) 4.972 5.089 ( 2.488 -2.868 2.406) 4.495 5.249 ( -1.348 -1.875 -14.412) 14.596 5.293 ( 1.142 2.039 -23.834) 23.949 5.643 ( -0.332 5.503 -4.158) 6.905 5.682 ( 2.021 1.396 -3.840) 4.559 5.844 ( -1.248 7.374 5.720) 9.415 6.059 ( 9.488 3.265 10.946) 14.849 6.867 ( -9.964 -10.388 44.850) 47.103 7.227 ( 1.354 3.794 -0.274) 4.037 7.274 ( 4.835 2.265 -2.112) 5.742 7.752 ( -3.801 -3.033 -1.809) 5.189 7.811 ( 4.740 -0.853 4.464) 6.567 8.138 ( -4.965 -9.142 18.423) 21.158 8.383 ( -9.775 -8.903 12.649) 18.297 8.874 ( 0.474 -0.015 22.995) 23.000 9.148 ( -6.000 11.704 10.547) 16.859 9.412 ( 12.538 -0.086 12.814) 17.928 9.787 ( 0.293 -0.193 25.845) 25.848 9.867 ( 1.467 1.873 28.621) 28.720 10.092 ( -8.074 -9.396 11.164) 16.677 11.252 ( 1.352 2.696 6.132) 6.833 11.836 ( 1.745 4.202 -9.525) 10.556 11.919 ( 5.116 1.375 -14.750) 15.673 12.778 ( 0.221 2.779 -5.411) 6.086 17.139 ( -1.666 -0.159 36.543) 36.581 17.157 ( -0.026 -0.868 39.716) 39.725 17.753 ( -5.654 -8.268 0.991) 10.065 18.058 ( -6.920 -8.875 22.502) 25.159 18.386 ( -6.826 -0.615 4.568) 8.237 18.686 ( 4.462 -7.436 4.863) 9.942 19.957 ( 4.559 10.046 -2.884) 11.403 20.200 ( 0.335 0.484 5.527) 5.558 20.224 ( -0.009 -0.185 6.372) 6.375 20.780 ( -16.506 -19.020 81.562) 85.361 24.666 ( 7.619 12.146 17.036) 22.267 25.482 ( -5.218 -10.645 9.448) 15.159 31.491 ( 1.744 3.894 -4.225) 6.004 31.750 ( -0.786 -2.316 -3.212) 4.037 36.615 ( 0.345 -5.553 -1.428) 5.744 38.006 ( 4.434 21.976 -18.741) 29.221 39.143 ( 0.702 -9.217 -18.348) 20.545 40.409 ( 8.802 10.895 -42.537) 44.784 ======================= Grid point 120 (23/56) ======================= q-point: ( 0.43 0.14 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -9.089 15.742 1.791) 18.265 1.770 ( 2.691 -4.661 2.402) 5.894 2.547 ( 6.947 -12.032 2.632) 14.141 2.651 ( -1.202 2.082 35.664) 35.745 2.865 ( -0.719 1.246 7.146) 7.290 2.871 ( -1.444 2.501 2.942) 4.123 2.967 ( 1.806 -3.128 2.995) 4.692 3.233 ( 2.042 -3.537 30.397) 30.670 3.382 ( 5.273 -9.132 17.076) 20.070 3.672 ( -2.107 3.649 5.807) 7.175 3.825 ( -1.312 2.273 9.165) 9.534 3.851 ( -4.267 7.390 20.923) 22.596 4.105 ( 3.237 -5.607 25.942) 26.738 4.143 ( 1.770 -3.065 9.245) 9.900 4.336 ( 0.529 -0.917 7.370) 7.445 4.540 ( -3.823 6.622 -1.931) 7.887 4.668 ( -1.861 3.223 -18.776) 19.141 4.863 ( -1.128 1.954 -3.291) 3.990 5.094 ( 3.007 -5.209 2.715) 6.599 5.237 ( 0.168 -0.291 -10.759) 10.764 5.301 ( -0.212 0.367 -26.681) 26.684 5.688 ( -2.756 4.774 -1.447) 5.700 5.692 ( -0.658 1.140 -1.159) 1.754 5.866 ( -4.079 7.066 5.660) 9.930 6.227 ( 0.824 -1.427 4.417) 4.715 6.676 ( 1.847 -3.200 50.490) 50.625 7.268 ( -1.221 2.114 1.809) 3.038 7.333 ( 0.266 -0.461 -5.115) 5.143 7.671 ( 1.762 -3.051 -7.712) 8.479 7.856 ( 3.670 -6.357 10.340) 12.680 8.123 ( 1.285 -2.226 21.194) 21.349 8.184 ( -0.550 0.953 10.340) 10.399 8.878 ( 0.109 -0.190 23.480) 23.481 9.148 ( -6.866 11.893 10.334) 17.187 9.568 ( 2.105 -3.646 15.086) 15.663 9.776 ( 2.193 -3.798 14.527) 15.175 9.916 ( 0.111 -0.192 26.506) 26.507 9.918 ( 0.543 -0.940 23.962) 23.987 11.274 ( -0.774 1.340 6.307) 6.494 11.876 ( -1.199 2.077 -13.299) 13.513 11.967 ( 1.932 -3.346 -12.443) 13.029 12.796 ( -1.742 3.017 -6.615) 7.476 17.120 ( -0.722 1.250 31.946) 31.978 17.150 ( 0.279 -0.484 38.430) 38.434 17.670 ( 1.876 -3.250 3.563) 5.175 17.950 ( 1.358 -2.352 29.927) 30.050 18.324 ( -2.154 3.730 7.471) 8.624 18.688 ( 5.479 -9.490 5.680) 12.343 20.043 ( -3.140 5.438 -2.442) 6.738 20.206 ( -0.128 0.222 5.667) 5.673 20.223 ( 0.158 -0.273 5.784) 5.793 20.574 ( 1.041 -1.803 72.815) 72.845 24.813 ( -4.241 7.345 15.801) 17.933 25.359 ( 4.895 -8.478 11.602) 15.181 31.531 ( -1.863 3.227 -4.487) 5.833 31.728 ( 1.420 -2.459 -3.549) 4.545 36.591 ( 3.147 -5.451 -1.098) 6.389 38.153 ( -11.173 19.352 -17.249) 28.228 39.098 ( 6.844 -11.853 -19.948) 24.192 40.528 ( -1.038 1.798 -41.126) 41.179 ======================= Grid point 127 (24/56) ======================= q-point: ( 0.29 0.29 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 10.378 17.975 2.183) 20.870 1.894 ( -4.759 -8.243 -4.082) 10.357 2.305 ( -6.060 -10.496 8.616) 14.870 2.677 ( -0.782 -1.354 37.723) 37.755 2.892 ( 0.895 1.550 2.799) 3.322 2.900 ( 1.059 1.834 3.544) 4.128 2.929 ( -0.391 -0.677 1.220) 1.449 3.189 ( -0.366 -0.634 26.865) 26.875 3.283 ( -4.090 -7.085 23.211) 24.611 3.713 ( 0.666 1.153 6.623) 6.756 3.865 ( 3.727 6.455 14.117) 15.964 3.931 ( 4.127 7.149 13.320) 15.670 4.034 ( -2.876 -4.981 25.770) 26.404 4.096 ( -2.863 -4.959 11.458) 12.809 4.329 ( -0.090 -0.157 11.417) 11.419 4.627 ( 2.640 4.572 -11.383) 12.548 4.686 ( 0.500 0.867 -17.252) 17.282 4.907 ( 1.788 3.097 -0.726) 3.649 5.016 ( -2.447 -4.239 2.340) 5.425 5.235 ( -0.003 -0.006 -11.279) 11.279 5.305 ( -0.042 -0.072 -27.266) 27.267 5.709 ( 1.075 1.862 1.563) 2.658 5.721 ( 0.767 1.328 0.748) 1.707 6.035 ( 4.839 8.381 2.768) 10.066 6.129 ( 3.006 5.207 7.394) 9.531 6.652 ( -6.248 -10.822 49.286) 50.845 7.299 ( 1.818 3.149 -0.074) 3.637 7.320 ( 1.186 2.054 -1.205) 2.661 7.637 ( -2.945 -5.101 -8.746) 10.545 7.780 ( -2.085 -3.611 8.380) 9.360 8.082 ( 2.047 3.545 17.421) 17.895 8.217 ( -4.712 -8.162 13.669) 16.603 8.875 ( 0.038 0.067 22.971) 22.971 9.395 ( 2.273 3.938 14.276) 14.982 9.407 ( 4.965 8.600 11.860) 15.469 9.728 ( -4.143 -7.175 13.774) 16.074 9.896 ( 0.678 1.174 28.219) 28.252 9.936 ( -2.791 -4.835 24.052) 24.692 11.290 ( 0.690 1.194 5.493) 5.663 11.903 ( 1.204 2.086 -10.511) 10.783 11.920 ( -0.260 -0.450 -13.685) 13.695 12.832 ( 1.153 1.997 -7.640) 7.980 17.140 ( 0.053 0.092 36.191) 36.191 17.144 ( -0.219 -0.380 36.010) 36.013 17.632 ( -2.217 -3.839 -0.963) 4.537 17.927 ( -2.352 -4.074 31.061) 31.415 18.405 ( 1.357 2.350 7.931) 8.382 18.543 ( -3.658 -6.336 8.947) 11.558 20.104 ( 2.589 4.484 -2.927) 5.948 20.209 ( 0.236 0.409 5.656) 5.675 20.219 ( -0.212 -0.367 5.906) 5.921 20.563 ( -2.909 -5.039 69.943) 70.185 24.914 ( 7.634 13.223 15.618) 21.842 25.242 ( -7.728 -13.386 12.784) 20.058 31.578 ( 2.745 4.755 -4.329) 6.992 31.689 ( -2.238 -3.877 -3.917) 5.948 36.530 ( -1.514 -2.623 -0.107) 3.030 38.431 ( 11.895 20.602 -19.808) 30.956 38.901 ( -8.706 -15.079 -20.153) 26.633 40.543 ( 1.997 3.460 -39.038) 39.242 ======================= Grid point 165 (25/56) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 0.000 21.221) 21.221 1.369 ( 0.000 0.000 21.221) 21.221 2.754 ( 0.000 0.000 0.823) 0.823 2.903 ( -0.000 0.000 -3.782) 3.782 2.903 ( 0.000 0.000 -3.782) 3.782 3.289 ( 0.000 0.000 -13.662) 13.662 3.289 ( 0.000 -0.000 -13.662) 13.662 3.588 ( -0.000 0.000 28.612) 28.612 3.599 ( 0.000 0.000 -0.685) 0.685 3.599 ( 0.000 -0.000 -0.685) 0.685 3.800 ( 0.000 -0.000 -12.617) 12.617 3.986 ( 0.000 0.000 -0.936) 0.936 4.155 ( -0.000 0.000 4.433) 4.433 4.155 ( -0.000 0.000 4.433) 4.433 4.206 ( 0.000 0.000 -4.079) 4.079 4.616 ( 0.000 0.000 -32.481) 32.481 4.744 ( -0.000 0.000 1.486) 1.486 4.744 ( -0.000 0.000 1.486) 1.486 4.802 ( 0.000 -0.000 30.123) 30.123 5.163 ( 0.000 0.000 23.853) 23.853 5.163 ( 0.000 0.000 23.853) 23.853 5.448 ( 0.000 0.000 -11.192) 11.192 5.626 ( 0.000 0.000 -3.654) 3.654 5.626 ( -0.000 0.000 -3.654) 3.654 6.029 ( 0.000 -0.000 -0.705) 0.705 7.405 ( 0.000 0.000 25.235) 25.235 7.405 ( 0.000 0.000 25.235) 25.235 7.716 ( 0.000 0.000 6.349) 6.349 7.716 ( 0.000 0.000 6.349) 6.349 8.011 ( 0.000 0.000 6.847) 6.847 8.859 ( 0.000 0.000 -0.940) 0.940 8.859 ( -0.000 -0.000 -0.940) 0.940 9.232 ( 0.000 0.000 23.642) 23.642 9.624 ( 0.000 0.000 30.675) 30.675 9.624 ( -0.000 0.000 30.675) 30.675 10.198 ( 0.000 -0.000 4.483) 4.483 10.325 ( 0.000 0.000 25.013) 25.013 10.325 ( 0.000 -0.000 25.013) 25.013 11.309 ( 0.000 0.000 14.084) 14.084 11.669 ( 0.000 0.000 -1.430) 1.430 11.669 ( 0.000 0.000 -1.430) 1.430 12.673 ( 0.000 -0.000 -2.788) 2.788 18.009 ( 0.000 0.000 37.342) 37.342 18.009 ( 0.000 0.000 37.342) 37.342 18.401 ( 0.000 0.000 -1.774) 1.774 18.401 ( -0.000 0.000 -1.774) 1.774 18.638 ( -0.000 0.000 -4.192) 4.192 18.638 ( -0.000 0.000 -4.192) 4.192 19.163 ( 0.000 0.000 -7.161) 7.161 20.293 ( -0.000 -0.000 6.034) 6.034 20.373 ( 0.000 -0.000 7.296) 7.296 24.691 ( -0.000 0.000 34.402) 34.402 24.691 ( -0.000 0.000 34.402) 34.402 25.492 ( 0.000 -0.000 20.321) 20.321 31.325 ( 0.000 0.000 -2.269) 2.269 31.832 ( 0.000 0.000 -0.609) 0.609 36.679 ( 0.000 0.000 -3.279) 3.279 36.679 ( 0.000 -0.000 -3.279) 3.279 38.984 ( 0.000 0.000 -14.646) 14.646 38.984 ( -0.000 0.000 -14.646) 14.646 ======================= Grid point 166 (26/56) ======================= q-point: ( 0.14 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 7.910 4.567 18.648) 20.765 1.577 ( 13.708 7.914 12.059) 19.899 2.754 ( -0.491 -0.284 -0.050) 0.569 2.869 ( -4.026 -2.325 -4.073) 6.181 2.890 ( -1.078 -0.622 -3.223) 3.455 3.122 ( -10.328 -5.963 -4.265) 12.665 3.278 ( -0.625 -0.361 -10.344) 10.369 3.577 ( -2.474 -1.428 4.966) 5.729 3.626 ( 2.413 1.393 -4.087) 4.947 3.691 ( -5.021 -2.899 -5.876) 8.255 3.702 ( 8.440 4.873 18.861) 21.230 3.988 ( 0.203 0.117 2.673) 2.683 4.077 ( 0.328 0.189 -2.278) 2.309 4.111 ( -3.376 -1.949 -0.560) 3.938 4.471 ( 11.018 6.361 -4.143) 13.380 4.611 ( -1.322 -0.763 -29.093) 29.133 4.742 ( -0.394 -0.227 -0.126) 0.472 4.795 ( 3.947 2.279 -3.476) 5.732 4.819 ( 2.457 1.418 27.980) 28.124 5.156 ( -0.623 -0.360 25.323) 25.334 5.204 ( 4.058 2.343 25.728) 26.151 5.429 ( -1.031 -0.595 -8.028) 8.115 5.597 ( -2.154 -1.244 -3.037) 3.925 5.692 ( 5.193 2.998 -3.020) 6.714 6.016 ( -0.225 -0.130 -0.588) 0.643 7.413 ( 0.635 0.367 24.110) 24.121 7.414 ( 0.848 0.489 24.367) 24.387 7.743 ( 1.923 1.110 7.062) 7.403 7.770 ( 3.907 2.255 11.021) 11.908 7.942 ( -5.536 -3.196 4.088) 7.588 8.757 ( -7.987 -4.611 3.507) 9.867 8.841 ( -2.108 -1.217 1.784) 3.018 9.283 ( 3.405 1.966 22.282) 22.626 9.524 ( -7.302 -4.216 28.791) 30.000 9.638 ( 1.703 0.984 28.688) 28.756 10.224 ( 0.526 0.304 10.262) 10.280 10.337 ( 1.045 0.603 24.707) 24.737 10.379 ( 4.534 2.618 18.866) 19.579 11.321 ( 1.422 0.821 12.913) 13.017 11.651 ( -1.388 -0.802 -2.390) 2.878 11.670 ( 0.316 0.182 -2.472) 2.499 12.676 ( 0.188 0.108 -3.046) 3.054 17.930 ( -8.424 -4.864 27.901) 29.548 17.965 ( -4.238 -2.447 31.780) 32.154 18.194 ( -12.936 -7.469 -0.020) 14.937 18.373 ( -1.670 -0.964 -1.481) 2.432 18.609 ( -1.702 -0.982 3.413) 3.938 18.704 ( 5.071 2.928 1.037) 5.946 19.395 ( 16.112 9.303 -5.388) 19.370 20.297 ( 0.415 0.240 6.082) 6.101 20.370 ( -0.253 -0.146 7.215) 7.220 23.933 ( -50.667 -29.253 54.578) 80.010 24.775 ( 7.306 4.218 33.393) 34.442 25.769 ( 11.116 6.418 16.306) 20.752 31.336 ( 1.106 0.638 -2.453) 2.765 31.801 ( -2.363 -1.364 -0.142) 2.732 36.664 ( -1.173 -0.677 -2.935) 3.232 36.932 ( 19.875 11.475 -9.686) 24.910 38.957 ( -2.432 -1.404 -15.477) 15.729 39.131 ( 12.460 7.194 -20.524) 25.065 ======================= Grid point 167 (27/56) ======================= q-point: ( 0.29 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -2.203 -1.272 8.542) 8.913 1.778 ( 6.883 3.974 4.945) 9.361 2.681 ( -3.915 -2.261 -0.726) 4.579 2.810 ( 0.170 0.098 1.784) 1.794 2.868 ( -0.562 -0.325 -1.932) 2.038 3.022 ( -0.354 -0.204 2.498) 2.531 3.269 ( -0.593 -0.342 -6.911) 6.945 3.437 ( -7.925 -4.575 -2.433) 9.469 3.643 ( 0.233 0.134 -1.804) 1.824 3.713 ( 3.627 2.094 -1.695) 4.518 3.863 ( 1.334 0.770 5.883) 6.082 4.023 ( 0.309 0.178 -0.692) 0.778 4.073 ( 5.907 3.410 3.797) 7.806 4.118 ( 3.232 1.866 1.223) 3.927 4.551 ( -3.477 -2.008 -16.630) 17.108 4.608 ( 2.093 1.208 -3.216) 4.022 4.736 ( 0.537 0.310 -2.424) 2.502 4.853 ( 0.471 0.272 -14.247) 14.257 4.905 ( 4.842 2.795 19.078) 19.880 5.142 ( -0.636 -0.367 29.840) 29.849 5.315 ( 4.469 2.580 29.078) 29.533 5.433 ( 2.040 1.178 -7.239) 7.613 5.571 ( 0.380 0.220 -3.100) 3.131 5.800 ( 3.855 2.226 0.617) 4.494 6.078 ( 6.961 4.019 -0.112) 8.039 7.419 ( -0.735 -0.424 20.124) 20.142 7.440 ( 1.395 0.805 21.257) 21.318 7.666 ( -10.085 -5.822 14.964) 18.961 7.873 ( 5.858 3.382 10.545) 12.528 7.888 ( 1.615 0.933 5.641) 5.941 8.565 ( -9.049 -5.225 8.832) 13.681 8.751 ( -6.119 -3.533 8.194) 10.820 9.341 ( 1.441 0.832 24.152) 24.209 9.378 ( -5.149 -2.973 24.022) 24.746 9.717 ( 5.608 3.238 22.936) 23.833 10.202 ( -2.517 -1.453 12.972) 13.294 10.366 ( 1.495 0.863 24.029) 24.090 10.452 ( 1.458 0.842 19.384) 19.457 11.375 ( 3.187 1.840 10.036) 10.690 11.624 ( -0.876 -0.506 -5.464) 5.557 11.696 ( 2.299 1.327 -5.927) 6.495 12.676 ( -0.269 -0.155 -3.672) 3.685 17.651 ( -14.669 -8.469 6.844) 18.269 17.820 ( -8.096 -4.674 17.168) 19.548 18.022 ( -3.722 -2.149 14.408) 15.036 18.347 ( -0.836 -0.483 3.641) 3.766 18.581 ( -0.756 -0.436 16.831) 16.854 18.819 ( 4.993 2.883 5.754) 8.146 19.723 ( 12.955 7.480 -3.083) 15.274 20.309 ( 0.656 0.379 6.209) 6.255 20.363 ( -0.438 -0.253 7.001) 7.019 22.906 ( -39.874 -23.021 75.800) 88.688 24.971 ( 9.825 5.673 31.097) 33.102 25.857 ( -1.427 -0.824 18.402) 18.476 31.372 ( 2.081 1.201 -2.845) 3.724 31.750 ( -2.186 -1.262 -0.342) 2.548 36.637 ( -1.153 -0.666 -2.335) 2.688 37.366 ( 17.650 10.190 -14.072) 24.767 38.888 ( -3.617 -2.088 -17.817) 18.300 39.439 ( 13.909 8.030 -31.504) 35.361 ======================= Grid point 168 (28/56) ======================= q-point: ( 0.43 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -7.022 -4.054 1.734) 8.292 1.916 ( 3.994 2.306 6.284) 7.795 2.652 ( 0.011 0.006 0.451) 0.451 2.816 ( 0.014 0.008 1.726) 1.726 2.873 ( 0.636 0.367 -1.966) 2.099 3.061 ( 3.968 2.291 6.018) 7.564 3.191 ( -6.695 -3.866 6.042) 9.812 3.339 ( -0.732 -0.423 -18.634) 18.653 3.648 ( 0.121 0.070 5.381) 5.383 3.774 ( 1.300 0.751 4.639) 4.876 3.829 ( -1.465 -0.846 0.532) 1.773 3.998 ( -0.893 -0.515 -19.933) 19.960 4.152 ( 1.502 0.867 -0.558) 1.821 4.268 ( 4.532 2.616 7.432) 9.090 4.512 ( 0.886 0.512 -2.980) 3.150 4.597 ( -1.989 -1.148 -2.023) 3.060 4.771 ( 2.170 1.253 -4.943) 5.542 4.824 ( -2.401 -1.386 -14.104) 14.374 5.000 ( 3.168 1.829 7.892) 8.699 5.123 ( -1.045 -0.603 36.130) 36.150 5.369 ( 1.050 0.606 29.534) 29.558 5.501 ( 3.226 1.863 -5.176) 6.377 5.582 ( -0.705 -0.407 -4.993) 5.059 5.865 ( 2.230 1.287 2.820) 3.818 6.274 ( 8.179 4.722 1.683) 9.593 7.302 ( -8.483 -4.898 6.741) 11.890 7.467 ( 0.922 0.532 17.673) 17.705 7.513 ( -1.896 -1.095 21.306) 21.418 7.926 ( 1.696 0.979 25.275) 25.351 8.011 ( 4.923 2.842 3.175) 6.511 8.398 ( -5.184 -2.993 10.359) 11.964 8.612 ( -5.090 -2.939 14.460) 15.609 9.294 ( -1.694 -0.978 20.787) 20.879 9.370 ( 0.483 0.279 24.888) 24.894 9.855 ( 5.850 3.378 17.337) 18.607 10.118 ( -4.375 -2.526 13.957) 14.843 10.394 ( 0.860 0.496 23.062) 23.084 10.457 ( -0.310 -0.179 24.931) 24.934 11.429 ( 1.341 0.774 10.074) 10.193 11.616 ( 0.000 0.000 -9.374) 9.374 11.752 ( 1.947 1.124 -9.958) 10.209 12.668 ( -0.284 -0.164 -4.285) 4.298 17.407 ( -6.410 -3.701 1.906) 7.643 17.680 ( -3.750 -2.165 10.528) 11.384 17.977 ( -0.941 -0.543 14.477) 14.517 18.333 ( -0.367 -0.212 7.182) 7.194 18.574 ( -0.064 -0.037 25.143) 25.143 18.899 ( 2.032 1.173 8.069) 8.403 19.920 ( 4.814 2.779 -1.489) 5.755 20.323 ( 0.441 0.255 6.370) 6.390 20.353 ( -0.331 -0.191 6.740) 6.751 22.314 ( -14.032 -8.101 83.031) 84.597 25.149 ( 5.341 3.084 28.877) 29.528 25.787 ( -3.143 -1.815 21.629) 21.932 31.413 ( 1.279 0.738 -3.143) 3.472 31.713 ( -1.033 -0.596 -0.933) 1.514 36.620 ( -0.426 -0.246 -1.981) 2.041 37.636 ( 6.646 3.837 -12.675) 14.818 38.822 ( -1.961 -1.132 -20.509) 20.634 39.659 ( 5.509 3.181 -37.588) 38.122 ======================= Grid point 173 (29/56) ======================= q-point: ( 0.14 0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.785 1.360 14.375) 14.461 1.811 ( 5.984 10.364 2.541) 12.234 2.695 ( -3.834 -6.640 -1.192) 7.760 2.825 ( 0.097 0.168 -0.109) 0.222 2.872 ( -0.502 -0.869 -2.383) 2.585 3.037 ( -1.199 -2.077 0.732) 2.508 3.224 ( -1.936 -3.354 -1.104) 4.027 3.521 ( -4.045 -7.006 -7.868) 11.285 3.625 ( 0.705 1.221 1.242) 1.879 3.694 ( 1.611 2.790 -4.758) 5.746 3.839 ( 3.445 5.968 10.866) 12.867 3.997 ( 0.473 0.820 7.037) 7.100 4.080 ( 0.985 1.707 -1.444) 2.443 4.097 ( 1.143 1.980 -2.431) 3.337 4.569 ( -2.023 -3.503 -19.502) 19.917 4.599 ( 3.200 5.542 -4.092) 7.596 4.722 ( -1.004 -1.740 -2.236) 3.006 4.855 ( 1.271 2.202 -11.940) 12.208 4.876 ( 2.633 4.561 21.328) 21.969 5.151 ( -0.060 -0.103 27.807) 27.807 5.277 ( 2.586 4.479 29.384) 29.836 5.435 ( 1.320 2.286 -7.760) 8.196 5.563 ( -0.338 -0.586 -2.150) 2.254 5.808 ( 4.674 8.095 -0.229) 9.351 6.022 ( 0.941 1.629 -0.701) 2.008 7.426 ( 0.174 0.302 22.388) 22.391 7.426 ( 0.657 1.138 21.640) 21.680 7.740 ( -4.467 -7.738 18.146) 20.226 7.805 ( 2.483 4.301 4.936) 7.002 7.891 ( 0.358 0.620 5.130) 5.180 8.607 ( -5.759 -9.975 7.407) 13.694 8.789 ( -3.036 -5.258 6.870) 9.168 9.330 ( 1.346 2.330 23.369) 23.523 9.448 ( -1.457 -2.523 23.611) 23.790 9.657 ( 1.070 1.854 26.180) 26.267 10.212 ( -1.181 -2.046 12.746) 12.963 10.361 ( 1.004 1.740 24.402) 24.485 10.440 ( 1.509 2.613 17.878) 18.131 11.358 ( 1.774 3.072 10.655) 11.230 11.639 ( -0.178 -0.308 -4.891) 4.903 11.674 ( 0.397 0.688 -4.225) 4.299 12.679 ( 0.104 0.180 -3.549) 3.556 17.768 ( -7.742 -13.410 9.112) 17.967 17.844 ( -4.287 -7.425 23.333) 24.858 18.037 ( -4.775 -8.270 10.769) 14.394 18.338 ( -1.112 -1.926 1.949) 2.956 18.602 ( 0.325 0.563 11.023) 11.042 18.782 ( 2.734 4.735 8.257) 9.903 19.651 ( 8.828 15.290 -4.161) 18.139 20.306 ( 0.365 0.632 6.169) 6.212 20.365 ( -0.241 -0.418 7.071) 7.088 23.149 ( -26.328 -45.601 71.404) 88.720 24.921 ( 6.069 10.512 31.842) 34.077 25.854 ( 0.171 0.296 17.564) 17.567 31.363 ( 1.327 2.298 -2.720) 3.801 31.760 ( -1.548 -2.681 -0.222) 3.104 36.631 ( -1.432 -2.481 -2.124) 3.566 37.282 ( 12.897 22.338 -14.458) 29.569 38.889 ( -3.243 -5.617 -16.844) 18.049 39.367 ( 9.049 15.673 -28.682) 33.915 ======================= Grid point 174 (30/56) ======================= q-point: ( 0.29 0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.721 0.967 6.757) 6.863 1.872 ( -2.554 0.558 -0.746) 2.719 2.606 ( 0.818 -5.719 2.986) 6.503 2.848 ( -0.579 3.057 -0.166) 3.116 2.870 ( 0.508 0.665 -1.843) 2.024 3.027 ( 0.951 -0.087 4.890) 4.983 3.178 ( 0.230 -5.602 4.431) 7.146 3.395 ( -4.422 -1.226 -9.021) 10.121 3.627 ( -0.091 -2.540 2.840) 3.812 3.762 ( 2.244 3.478 -4.982) 6.477 3.848 ( -1.526 -1.379 5.239) 5.628 3.987 ( -0.096 -2.415 -16.187) 16.366 4.141 ( 1.639 2.200 -1.015) 2.925 4.216 ( 5.100 5.632 10.902) 13.288 4.514 ( -0.778 -0.770 -7.938) 8.013 4.641 ( -2.975 1.792 -2.753) 4.432 4.717 ( 3.798 -1.548 -3.816) 5.602 4.849 ( -1.928 -1.465 -15.355) 15.545 4.972 ( 3.494 4.175 12.350) 13.497 5.151 ( -1.070 1.442 32.546) 32.595 5.325 ( 1.978 -1.415 29.771) 29.870 5.519 ( 1.918 7.280 -5.913) 9.573 5.601 ( 1.744 3.482 -3.039) 4.940 5.918 ( -2.241 9.634 2.265) 10.147 6.140 ( 11.420 2.602 0.698) 11.733 7.361 ( -6.515 -8.490 10.252) 14.820 7.458 ( 1.429 1.649 19.051) 19.176 7.564 ( -5.270 -2.995 19.733) 20.643 7.896 ( 4.037 1.089 8.312) 9.305 7.933 ( 3.101 1.376 17.855) 18.175 8.439 ( -3.863 -6.354 10.836) 13.142 8.637 ( -6.485 -8.932 11.987) 16.295 9.362 ( 0.707 1.067 25.212) 25.244 9.429 ( -5.510 8.904 18.613) 21.356 9.742 ( 8.616 -0.153 21.218) 22.901 10.134 ( -3.693 -6.449 12.424) 14.477 10.394 ( 0.776 1.886 24.059) 24.145 10.459 ( -0.091 -0.139 22.983) 22.984 11.417 ( 1.708 2.225 9.596) 9.998 11.637 ( -1.066 1.905 -8.649) 8.920 11.709 ( 3.124 -0.059 -7.931) 8.525 12.682 ( -0.369 0.932 -4.463) 4.574 17.521 ( -9.998 -4.337 2.552) 11.193 17.708 ( -4.033 -6.110 13.703) 15.536 17.906 ( 0.218 -10.318 11.193) 15.225 18.311 ( 0.227 -2.412 6.731) 7.154 18.626 ( -1.048 4.837 21.217) 21.787 18.859 ( 3.110 0.907 12.572) 12.983 19.897 ( 5.802 9.729 -3.061) 11.734 20.319 ( 0.472 0.629 6.313) 6.362 20.356 ( -0.341 -0.489 6.849) 6.875 22.441 ( -18.114 -23.058 81.120) 86.257 25.129 ( 5.991 10.683 29.659) 32.088 25.786 ( -3.005 -7.065 21.081) 22.436 31.418 ( 1.447 3.764 -2.968) 5.007 31.708 ( -1.224 -3.260 -0.936) 3.606 36.588 ( 0.154 -3.756 -1.169) 3.937 37.664 ( 7.502 20.243 -15.431) 26.536 38.766 ( -1.502 -10.934 -19.085) 22.046 39.630 ( 6.440 10.474 -35.709) 37.767 ======================= Grid point 175 (31/56) ======================= q-point: ( 0.43 0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -7.560 13.094 0.053) 15.119 1.837 ( 4.667 -8.083 4.188) 10.230 2.591 ( 3.920 -6.789 2.482) 8.223 2.856 ( -1.746 3.025 -0.527) 3.532 2.882 ( -0.276 0.479 -2.653) 2.710 3.053 ( 2.556 -4.428 5.821) 7.748 3.124 ( 0.159 -0.275 8.996) 9.002 3.370 ( -1.635 2.832 -12.683) 13.098 3.601 ( 2.650 -4.589 7.601) 9.266 3.798 ( -1.371 2.375 0.616) 2.811 3.831 ( -0.433 0.749 -1.059) 1.367 3.970 ( 1.266 -2.193 -21.426) 21.575 4.171 ( -0.601 1.041 0.347) 1.251 4.269 ( 1.145 -1.983 1.676) 2.838 4.529 ( -0.334 0.578 1.503) 1.644 4.608 ( -1.524 2.639 -1.146) 3.256 4.766 ( 1.472 -2.549 0.885) 3.073 4.800 ( 0.175 -0.303 -21.498) 21.501 5.031 ( -0.678 1.175 3.727) 3.966 5.144 ( -1.632 2.827 38.977) 39.113 5.333 ( 1.979 -3.427 31.054) 31.305 5.594 ( -3.060 5.300 -4.928) 7.857 5.616 ( -2.153 3.728 -5.141) 6.706 5.947 ( -4.432 7.677 3.431) 9.506 6.296 ( 1.661 -2.878 1.980) 3.868 7.199 ( 3.019 -5.229 4.337) 7.434 7.488 ( -0.879 1.522 17.257) 17.346 7.518 ( -0.702 1.216 21.754) 21.799 7.948 ( -0.825 1.429 31.250) 31.293 7.963 ( 3.620 -6.270 2.890) 7.795 8.400 ( -1.107 1.917 9.149) 9.413 8.496 ( 4.079 -7.065 15.313) 17.351 9.374 ( -0.068 0.118 25.723) 25.724 9.424 ( -7.395 12.809 18.176) 23.433 9.865 ( 1.562 -2.705 16.725) 17.014 10.024 ( 3.854 -6.676 13.936) 15.926 10.412 ( -0.695 1.203 23.537) 23.578 10.454 ( 0.098 -0.170 25.689) 25.690 11.442 ( -0.313 0.542 10.042) 10.062 11.638 ( -1.209 2.093 -10.298) 10.578 11.741 ( 1.180 -2.044 -10.082) 10.355 12.684 ( -0.881 1.525 -5.020) 5.320 17.413 ( -2.500 4.331 1.682) 5.276 17.640 ( 1.089 -1.886 9.974) 10.209 17.860 ( 6.124 -10.608 10.720) 16.278 18.301 ( 1.268 -2.196 8.603) 8.968 18.642 ( -3.495 6.053 25.051) 26.008 18.890 ( 1.304 -2.259 13.825) 14.069 19.993 ( -2.382 4.125 -2.515) 5.386 20.328 ( -0.166 0.287 6.441) 6.450 20.349 ( 0.160 -0.277 6.673) 6.681 22.183 ( 3.000 -5.196 82.868) 83.084 25.248 ( -3.996 6.921 28.212) 29.322 25.705 ( 3.746 -6.488 23.241) 24.418 31.454 ( -1.993 3.452 -3.030) 5.007 31.677 ( 1.771 -3.067 -1.369) 3.797 36.571 ( 2.110 -3.654 -0.808) 4.296 37.835 ( -8.988 15.567 -14.503) 23.096 38.688 ( 6.971 -12.074 -20.724) 24.977 39.735 ( -2.254 3.903 -37.819) 38.087 ======================= Grid point 182 (32/56) ======================= q-point: ( 0.29 0.29 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 5.773 9.999 2.801) 11.881 1.804 ( -3.527 -6.108 -4.450) 8.340 2.474 ( -3.737 -6.472 7.885) 10.863 2.886 ( 0.567 0.981 -3.139) 3.337 2.890 ( 0.464 0.803 -2.866) 3.012 3.001 ( -0.919 -1.592 5.982) 6.258 3.126 ( -0.482 -0.835 8.603) 8.657 3.410 ( 1.856 3.214 -1.279) 3.926 3.538 ( -3.399 -5.887 5.181) 8.546 3.836 ( -0.019 -0.033 4.675) 4.675 3.843 ( 2.494 4.321 -13.737) 14.615 3.937 ( -1.704 -2.951 -19.380) 19.677 4.184 ( 1.374 2.380 0.548) 2.802 4.241 ( -0.980 -1.697 2.049) 2.835 4.533 ( 0.840 1.455 0.152) 1.687 4.664 ( 0.490 0.848 0.555) 1.126 4.706 ( 0.147 0.254 -1.455) 1.485 4.803 ( -1.435 -2.485 -20.721) 20.919 5.041 ( 1.397 2.419 5.332) 6.020 5.194 ( 1.603 2.777 36.484) 36.625 5.280 ( -1.701 -2.946 33.002) 33.177 5.640 ( 2.494 4.320 -5.598) 7.498 5.665 ( 1.085 1.879 -4.322) 4.836 6.107 ( 3.857 6.680 3.263) 8.376 6.192 ( 2.293 3.971 1.850) 4.944 7.144 ( -5.944 -10.295 3.621) 12.427 7.502 ( 1.501 2.601 18.522) 18.763 7.542 ( -0.517 -0.895 21.040) 21.065 7.882 ( -1.010 -1.750 2.948) 3.573 7.970 ( 1.270 2.199 35.427) 35.518 8.379 ( 0.231 0.400 11.075) 11.085 8.462 ( -4.663 -8.076 10.588) 14.109 9.375 ( 0.219 0.379 26.255) 26.258 9.651 ( 6.236 10.801 13.414) 18.317 9.743 ( 1.640 2.841 21.251) 21.503 9.955 ( -6.996 -12.117 12.754) 18.932 10.427 ( 0.800 1.386 24.648) 24.700 10.451 ( -0.374 -0.647 25.017) 25.028 11.447 ( 0.510 0.883 9.693) 9.747 11.675 ( 0.743 1.287 -10.629) 10.732 11.702 ( -0.120 -0.208 -9.293) 9.296 12.703 ( 0.488 0.844 -5.644) 5.728 17.507 ( 1.396 2.418 1.115) 3.006 17.620 ( -1.557 -2.697 11.910) 12.311 17.698 ( -5.435 -9.414 6.807) 12.826 18.278 ( -0.550 -0.953 8.845) 8.913 18.730 ( 3.011 5.216 23.325) 24.090 18.842 ( -1.438 -2.490 19.763) 19.971 20.038 ( 2.493 4.318 -3.608) 6.154 20.331 ( 0.353 0.611 6.469) 6.507 20.345 ( -0.326 -0.565 6.688) 6.720 22.133 ( -5.011 -8.680 81.979) 82.590 25.344 ( 6.482 11.228 27.771) 30.648 25.612 ( -5.927 -10.265 24.477) 27.195 31.505 ( 2.894 5.013 -2.734) 6.402 31.630 ( -2.666 -4.617 -1.846) 5.642 36.531 ( -1.051 -1.820 0.141) 2.106 38.056 ( 11.169 19.345 -17.526) 28.392 38.504 ( -8.961 -15.522 -19.384) 26.400 39.775 ( 2.428 4.206 -37.395) 37.709 ======================= Grid point 220 (33/56) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.000 0.000 15.702) 15.702 1.740 ( 0.000 0.000 15.702) 15.702 2.682 ( 0.000 0.000 -22.769) 22.769 2.682 ( 0.000 -0.000 -22.769) 22.769 2.724 ( 0.000 0.000 -4.178) 4.178 2.983 ( 0.000 0.000 -8.401) 8.401 2.983 ( 0.000 0.000 -8.401) 8.401 3.458 ( 0.000 0.000 -32.820) 32.820 3.607 ( 0.000 0.000 -5.895) 5.895 3.642 ( -0.000 -0.000 4.781) 4.781 3.642 ( -0.000 0.000 4.781) 4.781 4.149 ( 0.000 0.000 -2.281) 2.281 4.187 ( -0.000 0.000 -1.710) 1.710 4.187 ( -0.000 0.000 -1.710) 1.710 4.191 ( 0.000 -0.000 10.730) 10.730 4.289 ( 0.000 0.000 4.459) 4.459 4.616 ( 0.000 0.000 -8.131) 8.131 4.616 ( -0.000 0.000 -8.131) 8.131 5.231 ( 0.000 0.000 -10.478) 10.478 5.366 ( 0.000 0.000 -1.594) 1.594 5.366 ( -0.000 0.000 -1.594) 1.594 5.376 ( 0.000 0.000 25.587) 25.587 5.974 ( 0.000 -0.000 28.945) 28.945 5.974 ( 0.000 -0.000 28.945) 28.945 6.024 ( 0.000 -0.000 0.169) 0.169 7.692 ( 0.000 -0.000 2.810) 2.810 7.692 ( 0.000 0.000 2.810) 2.810 8.067 ( 0.000 0.000 29.284) 29.284 8.067 ( -0.000 0.000 29.284) 29.284 8.095 ( 0.000 0.000 2.191) 2.191 8.833 ( -0.000 0.000 -1.305) 1.305 8.833 ( 0.000 0.000 -1.305) 1.305 9.668 ( 0.000 0.000 20.042) 20.042 10.218 ( -0.000 0.000 28.390) 28.390 10.218 ( -0.000 0.000 28.390) 28.390 10.336 ( 0.000 -0.000 8.837) 8.837 10.741 ( 0.000 -0.000 16.844) 16.844 10.741 ( 0.000 0.000 16.844) 16.844 11.566 ( 0.000 -0.000 11.738) 11.738 11.659 ( -0.000 0.000 0.656) 0.656 11.659 ( -0.000 0.000 0.656) 0.656 12.622 ( 0.000 0.000 -2.359) 2.359 18.342 ( -0.000 0.000 -1.814) 1.814 18.342 ( -0.000 0.000 -1.814) 1.814 18.546 ( 0.000 0.000 0.514) 0.514 18.546 ( 0.000 0.000 0.514) 0.514 18.617 ( -0.000 0.000 16.516) 16.516 18.617 ( -0.000 0.000 16.516) 16.516 19.021 ( 0.000 0.000 -6.932) 6.932 20.409 ( -0.000 0.000 5.534) 5.534 20.505 ( 0.000 0.000 5.924) 5.924 25.436 ( 0.000 0.000 39.148) 39.148 25.436 ( 0.000 0.000 39.148) 39.148 25.889 ( 0.000 0.000 19.214) 19.214 31.295 ( 0.000 -0.000 -0.804) 0.804 31.824 ( 0.000 0.000 -0.166) 0.166 36.623 ( 0.000 0.000 -2.298) 2.298 36.623 ( -0.000 0.000 -2.298) 2.298 38.707 ( -0.000 0.000 -13.008) 13.008 38.707 ( -0.000 0.000 -13.008) 13.008 ======================= Grid point 221 (34/56) ======================= q-point: ( 0.14 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 1.610 0.930 11.360) 11.511 1.811 ( 5.420 3.130 12.307) 13.808 2.573 ( -5.239 -3.025 -20.771) 21.634 2.693 ( 0.934 0.539 -20.826) 20.854 2.783 ( 1.492 0.861 -4.448) 4.770 2.989 ( 0.365 0.210 -4.963) 4.981 3.003 ( 1.893 1.093 -8.569) 8.844 3.468 ( -2.209 -1.276 -23.362) 23.501 3.509 ( -5.755 -3.322 -7.523) 10.037 3.611 ( -0.062 -0.036 -2.422) 2.423 3.681 ( 3.451 1.992 2.956) 4.961 4.077 ( -0.681 -0.393 0.708) 1.058 4.104 ( -5.044 -2.912 0.424) 5.840 4.239 ( 0.980 0.566 -2.516) 2.759 4.317 ( 4.283 2.473 14.758) 15.565 4.344 ( 5.917 3.416 -7.048) 9.816 4.603 ( -1.189 -0.686 -8.075) 8.190 4.626 ( 0.564 0.325 -9.288) 9.310 5.219 ( 1.057 0.610 -8.662) 8.748 5.326 ( -1.583 -0.914 11.111) 11.260 5.419 ( 1.825 1.054 11.334) 11.528 5.522 ( 11.438 6.604 -0.079) 13.207 5.917 ( -2.950 -1.703 19.655) 19.948 5.998 ( 2.013 1.162 28.528) 28.622 6.048 ( 1.154 0.666 10.378) 10.463 7.724 ( 2.846 1.643 3.801) 5.025 7.791 ( 8.257 4.767 6.013) 11.272 7.957 ( -8.865 -5.118 7.703) 12.811 8.052 ( -1.334 -0.770 27.720) 27.762 8.131 ( 1.963 1.134 21.920) 22.036 8.782 ( -4.330 -2.500 0.022) 5.000 8.854 ( 1.485 0.857 0.038) 1.715 9.708 ( 3.306 1.909 19.990) 20.351 10.084 ( -8.593 -4.961 25.927) 27.761 10.213 ( -0.417 -0.241 27.972) 27.976 10.412 ( 3.336 1.926 11.860) 12.470 10.744 ( 0.366 0.212 16.276) 16.281 10.756 ( 1.678 0.969 15.767) 15.886 11.549 ( -1.538 -0.888 8.974) 9.148 11.643 ( -1.304 -0.753 0.041) 1.506 11.648 ( -0.682 -0.394 3.167) 3.263 12.620 ( -0.248 -0.143 -2.609) 2.624 18.064 ( -20.077 -11.592 -2.905) 23.365 18.231 ( -13.877 -8.012 0.069) 16.024 18.364 ( -5.468 -3.157 2.168) 6.675 18.384 ( -2.599 -1.500 5.734) 6.472 18.790 ( 7.677 4.432 10.289) 13.581 18.832 ( 9.659 5.577 12.923) 17.070 19.297 ( 18.708 10.801 -4.157) 21.999 20.414 ( 0.449 0.259 5.520) 5.544 20.501 ( -0.333 -0.192 5.893) 5.905 24.913 ( -33.822 -19.527 44.689) 59.350 25.502 ( 5.700 3.291 38.307) 38.868 26.150 ( 11.504 6.642 21.057) 24.897 31.303 ( 0.880 0.508 -0.896) 1.355 31.805 ( -1.690 -0.976 0.471) 2.008 36.615 ( -0.674 -0.389 -2.023) 2.167 36.789 ( 14.022 8.095 -5.291) 17.033 38.667 ( -3.675 -2.122 -13.532) 14.182 38.773 ( 5.567 3.214 -15.869) 17.122 ======================= Grid point 222 (35/56) ======================= q-point: ( 0.29 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -11.197 -6.465 2.000) 13.083 1.952 ( 6.530 3.770 9.973) 12.503 2.519 ( 0.367 0.212 -20.747) 20.751 2.722 ( 1.681 0.970 -15.547) 15.668 2.776 ( -1.863 -1.076 -4.930) 5.379 2.992 ( -0.468 -0.270 -2.540) 2.597 3.070 ( 4.124 2.381 -6.113) 7.749 3.318 ( -6.908 -3.988 -2.574) 8.381 3.463 ( -1.533 -0.885 -23.526) 23.593 3.662 ( 3.296 1.903 -3.324) 5.053 3.764 ( 3.243 1.873 1.500) 4.034 3.983 ( -4.917 -2.839 1.671) 5.919 4.111 ( 2.508 1.448 0.939) 3.044 4.225 ( -0.636 -0.367 -10.103) 10.129 4.400 ( 0.195 0.113 -10.412) 10.415 4.459 ( 4.159 2.401 11.550) 12.509 4.586 ( 1.532 0.884 -3.204) 3.660 4.626 ( -0.502 -0.290 -10.765) 10.781 5.289 ( 4.596 2.654 -6.421) 8.331 5.309 ( 0.240 0.138 10.412) 10.416 5.449 ( 1.162 0.671 8.399) 8.505 5.753 ( 7.681 4.434 3.632) 9.584 5.907 ( 2.036 1.176 25.322) 25.431 6.053 ( 3.060 1.767 25.767) 26.008 6.098 ( 5.021 2.899 7.561) 9.528 7.686 ( -15.303 -8.835 3.455) 18.005 7.809 ( 4.234 2.444 6.933) 8.483 7.975 ( 3.589 2.072 23.834) 24.192 8.036 ( 3.763 2.173 14.368) 15.010 8.188 ( 3.742 2.161 20.524) 20.974 8.669 ( -5.735 -3.311 2.609) 7.118 8.869 ( -0.659 -0.381 4.179) 4.248 9.785 ( 3.289 1.899 20.642) 20.989 9.902 ( -7.577 -4.375 26.801) 28.193 10.208 ( 0.201 0.116 24.778) 24.779 10.447 ( 0.128 0.074 13.771) 13.772 10.757 ( 0.741 0.428 15.223) 15.247 10.812 ( 3.058 1.766 14.194) 14.627 11.510 ( -1.614 -0.932 3.040) 3.566 11.615 ( -1.016 -0.587 -1.990) 2.311 11.639 ( -0.111 -0.064 7.528) 7.529 12.608 ( -0.852 -0.492 -3.173) 3.322 17.646 ( -17.024 -9.829 -3.027) 19.889 17.928 ( -12.483 -7.207 -0.635) 14.429 18.231 ( -5.364 -3.097 4.426) 7.612 18.387 ( 0.657 0.379 1.443) 1.630 18.941 ( 6.135 3.542 9.377) 11.752 18.997 ( 5.555 3.207 15.580) 16.849 19.675 ( 14.875 8.588 -1.713) 17.261 20.427 ( 0.728 0.420 5.500) 5.564 20.491 ( -0.577 -0.333 5.808) 5.846 24.211 ( -28.442 -16.421 56.605) 65.442 25.655 ( 7.625 4.402 36.313) 37.365 26.285 ( 1.738 1.003 23.427) 23.513 31.334 ( 1.857 1.072 -1.048) 2.386 31.759 ( -2.310 -1.334 1.162) 2.909 36.599 ( -0.692 -0.399 -1.507) 1.706 37.142 ( 16.632 9.603 -8.833) 21.139 38.558 ( -5.979 -3.452 -15.178) 16.674 38.915 ( 6.667 3.849 -22.072) 23.376 ======================= Grid point 223 (36/56) ======================= q-point: ( 0.43 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -7.172 -4.141 0.742) 8.314 2.052 ( 2.265 1.308 6.997) 7.470 2.575 ( 4.342 2.507 -24.115) 24.631 2.702 ( -4.228 -2.441 -5.832) 7.605 2.763 ( 1.174 0.678 -11.088) 11.171 2.962 ( -1.602 -0.925 -3.717) 4.152 3.149 ( 2.345 1.354 -6.248) 6.810 3.220 ( -2.007 -1.158 2.560) 3.453 3.433 ( -1.047 -0.605 -24.431) 24.461 3.715 ( 1.355 0.782 -3.406) 3.749 3.807 ( 0.987 0.570 5.359) 5.479 3.903 ( -2.228 -1.287 2.696) 3.727 4.151 ( 0.707 0.408 -1.003) 1.294 4.257 ( 2.908 1.679 -8.702) 9.328 4.387 ( -0.183 -0.106 -12.686) 12.688 4.432 ( -3.589 -2.072 -3.441) 5.386 4.612 ( -0.412 -0.238 -11.969) 11.979 4.666 ( 2.538 1.465 6.973) 7.564 5.332 ( 1.218 0.703 13.429) 13.503 5.371 ( 2.343 1.353 -6.016) 6.596 5.469 ( 0.329 0.190 4.259) 4.276 5.864 ( 3.182 1.837 6.162) 7.174 5.931 ( 0.066 0.038 31.169) 31.169 6.104 ( 1.322 0.763 26.862) 26.905 6.283 ( 8.448 4.877 0.094) 9.755 7.358 ( -11.545 -6.665 1.429) 13.407 7.893 ( 2.957 1.707 17.688) 18.014 7.951 ( -1.887 -1.090 19.472) 19.593 8.162 ( 3.487 2.013 20.940) 21.324 8.307 ( 6.357 3.670 11.503) 13.645 8.540 ( -5.744 -3.316 4.359) 7.936 8.832 ( -1.801 -1.040 8.870) 9.110 9.783 ( -2.988 -1.725 26.732) 26.954 9.835 ( 1.211 0.699 21.604) 21.649 10.223 ( 0.821 0.474 18.794) 18.818 10.434 ( -0.744 -0.430 18.089) 18.109 10.772 ( 0.453 0.261 14.666) 14.675 10.864 ( 1.368 0.790 14.773) 14.857 11.490 ( -0.343 -0.198 -1.280) 1.340 11.603 ( -0.157 -0.091 -4.496) 4.499 11.640 ( 0.061 0.035 9.372) 9.373 12.590 ( -0.583 -0.336 -3.648) 3.709 17.380 ( -6.708 -3.873 -2.897) 8.270 17.734 ( -4.825 -2.786 -1.458) 5.759 18.149 ( -2.019 -1.166 3.904) 4.547 18.398 ( 0.298 0.172 1.334) 1.377 19.042 ( 2.831 1.634 7.599) 8.272 19.071 ( 1.373 0.793 18.420) 18.488 19.902 ( 5.570 3.216 -0.466) 6.449 20.442 ( 0.528 0.305 5.518) 5.552 20.479 ( -0.459 -0.265 5.703) 5.728 23.773 ( -10.820 -6.247 63.626) 64.842 25.791 ( 3.988 2.302 34.344) 34.651 26.276 ( -1.213 -0.700 26.314) 26.351 31.372 ( 1.208 0.697 -1.098) 1.775 31.717 ( -1.258 -0.726 1.197) 1.882 36.588 ( -0.263 -0.152 -1.177) 1.216 37.426 ( 7.873 4.546 -8.644) 12.544 38.441 ( -3.764 -2.173 -17.589) 18.118 39.024 ( 2.863 1.653 -26.744) 26.947 ======================= Grid point 228 (37/56) ======================= q-point: ( 0.14 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -2.348 -4.067 10.212) 11.240 1.865 ( 0.506 0.877 2.432) 2.635 2.536 ( 0.296 0.513 -17.791) 17.801 2.705 ( 0.560 0.970 -18.344) 18.378 2.793 ( -0.270 -0.469 -3.612) 3.652 3.001 ( 0.956 1.655 -1.679) 2.544 3.041 ( 1.567 2.714 -8.624) 9.175 3.365 ( -4.844 -8.391 -1.717) 9.840 3.467 ( -1.213 -2.100 -24.810) 24.928 3.622 ( 1.565 2.711 -2.655) 4.104 3.753 ( 2.274 3.938 0.363) 4.562 4.013 ( -3.162 -5.476 1.474) 6.493 4.095 ( 1.178 2.040 0.587) 2.428 4.232 ( -0.589 -1.020 -8.987) 9.064 4.400 ( 0.790 1.369 -10.861) 10.976 4.422 ( 3.990 6.912 17.076) 18.849 4.582 ( -0.554 -0.960 -6.471) 6.566 4.631 ( 0.071 0.123 -10.684) 10.685 5.267 ( 2.642 4.576 -7.269) 8.987 5.302 ( -0.344 -0.595 10.576) 10.598 5.448 ( 0.952 1.649 9.770) 9.954 5.725 ( 7.519 13.024 2.957) 15.326 5.899 ( 0.516 0.895 20.236) 20.262 6.036 ( 1.440 2.495 27.518) 27.668 6.058 ( 0.490 0.849 10.510) 10.555 7.773 ( -8.070 -13.978 4.670) 16.802 7.778 ( 2.264 3.922 5.758) 7.325 7.943 ( 5.445 9.431 12.008) 16.211 8.030 ( -0.841 -1.456 24.874) 24.931 8.167 ( 1.752 3.035 21.306) 21.592 8.689 ( -3.706 -6.419 1.990) 7.674 8.880 ( 0.399 0.690 2.810) 2.921 9.766 ( 2.157 3.736 20.424) 20.875 9.958 ( -4.020 -6.963 25.887) 27.107 10.203 ( -0.374 -0.648 27.173) 27.183 10.435 ( -0.186 -0.322 12.342) 12.347 10.763 ( 0.860 1.489 15.913) 16.005 10.789 ( 1.550 2.685 14.101) 14.438 11.522 ( -0.941 -1.630 4.660) 5.025 11.617 ( -0.952 -1.649 -1.127) 2.213 11.642 ( -0.065 -0.113 6.335) 6.336 12.614 ( -0.306 -0.530 -3.045) 3.105 17.761 ( -9.879 -17.111 -3.466) 20.060 18.059 ( -7.246 -12.550 2.148) 14.650 18.164 ( -6.445 -11.163 1.126) 12.939 18.382 ( 0.089 0.154 2.030) 2.037 18.911 ( 4.273 7.402 15.147) 17.391 18.994 ( 5.146 8.913 11.014) 15.074 19.578 ( 9.496 16.448 -2.908) 19.214 20.423 ( 0.399 0.692 5.502) 5.560 20.494 ( -0.311 -0.539 5.835) 5.868 24.379 ( -18.491 -32.027 53.656) 65.167 25.618 ( 4.852 8.403 36.893) 38.148 26.265 ( 1.918 3.321 22.650) 22.973 31.327 ( 1.214 2.102 -0.994) 2.623 31.770 ( -1.551 -2.686 1.028) 3.268 36.596 ( -0.833 -1.443 -1.395) 2.173 37.057 ( 10.771 18.655 -8.663) 23.218 38.578 ( -4.107 -7.114 -14.280) 16.474 38.884 ( 4.492 7.780 -20.547) 22.425 ======================= Grid point 229 (38/56) ======================= q-point: ( 0.29 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -11.889 1.520 2.223) 12.191 1.894 ( 7.681 -9.039 2.359) 12.094 2.576 ( 1.021 4.251 -14.107) 14.769 2.733 ( 0.378 0.040 -11.591) 11.598 2.752 ( -1.822 -1.700 -9.509) 9.830 3.032 ( -2.165 4.887 -4.727) 7.135 3.105 ( 3.959 1.024 -6.091) 7.336 3.229 ( -3.144 -4.926 0.999) 5.928 3.408 ( -0.646 -5.387 -24.985) 25.567 3.693 ( 2.707 2.235 -0.718) 3.583 3.792 ( 0.573 0.035 2.918) 2.974 3.925 ( -2.561 -2.936 2.039) 4.397 4.147 ( 1.800 2.667 -0.058) 3.218 4.234 ( 1.369 1.402 -9.016) 9.226 4.392 ( -1.017 -1.127 -14.372) 14.452 4.455 ( -2.021 -2.665 0.547) 3.389 4.616 ( 1.755 1.416 -0.087) 2.257 4.633 ( 0.777 0.711 -6.050) 6.141 5.324 ( 1.589 2.275 12.952) 13.246 5.370 ( 2.943 5.802 -5.344) 8.419 5.483 ( 0.624 2.347 4.704) 5.294 5.902 ( -0.161 10.276 7.779) 12.889 5.944 ( 0.503 2.550 28.742) 28.860 6.080 ( 1.745 1.248 24.483) 24.577 6.155 ( 10.849 3.307 2.437) 11.600 7.456 ( -12.233 -15.013 1.915) 19.461 7.859 ( 3.375 2.724 9.959) 10.863 7.988 ( -3.079 0.336 22.663) 22.874 8.088 ( 5.120 0.508 24.424) 24.960 8.274 ( 5.064 7.928 11.736) 15.040 8.576 ( -2.954 -4.955 4.040) 7.043 8.843 ( -3.133 -4.031 8.374) 9.808 9.828 ( 1.516 2.402 21.552) 21.738 9.863 ( -4.160 1.519 24.218) 24.619 10.201 ( 1.253 -0.783 23.447) 23.494 10.398 ( -0.448 -5.575 14.881) 15.898 10.790 ( -0.102 2.667 15.510) 15.738 10.845 ( 2.147 1.547 14.319) 14.562 11.502 ( -0.648 0.306 -0.409) 0.825 11.592 ( -0.072 -1.602 -3.147) 3.532 11.643 ( -0.038 0.296 8.583) 8.588 12.602 ( -0.705 -0.045 -3.697) 3.764 17.491 ( -9.451 -5.260 -3.204) 11.281 17.805 ( -9.739 -5.939 -0.206) 11.409 18.021 ( 3.483 -16.046 1.607) 16.498 18.386 ( 0.488 -0.544 1.864) 2.003 19.042 ( 3.345 6.440 16.151) 17.706 19.114 ( 0.115 7.053 12.127) 14.030 19.845 ( 7.498 8.642 -2.111) 11.634 20.438 ( 0.547 0.713 5.504) 5.577 20.482 ( -0.462 -0.610 5.737) 5.788 23.860 ( -13.582 -18.408 61.927) 66.017 25.783 ( 4.402 8.780 34.775) 36.136 26.264 ( -0.828 -3.658 25.800) 26.071 31.379 ( 1.345 3.920 -0.974) 4.257 31.711 ( -1.451 -3.922 1.077) 4.318 36.571 ( 0.064 -2.214 -0.625) 2.302 37.409 ( 9.165 17.819 -10.506) 22.626 38.419 ( -3.877 -11.212 -15.619) 19.613 39.022 ( 3.096 6.507 -25.968) 26.950 ======================= Grid point 230 (39/56) ======================= q-point: ( 0.43 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -5.906 10.229 -0.713) 11.833 1.919 ( 6.928 -11.999 3.424) 14.272 2.642 ( 1.602 -2.775 2.261) 3.922 2.657 ( -2.225 3.854 -25.340) 25.728 2.769 ( 0.128 -0.222 -10.368) 10.371 3.029 ( -3.582 6.204 -7.444) 10.331 3.150 ( 0.423 -0.733 -9.807) 9.843 3.180 ( 1.464 -2.535 5.508) 6.238 3.374 ( 3.021 -5.232 -24.158) 24.902 3.726 ( -0.325 0.564 -1.549) 1.680 3.795 ( 0.901 -1.561 6.834) 7.068 3.886 ( 0.390 -0.676 1.295) 1.512 4.176 ( -1.325 2.294 -1.082) 2.862 4.274 ( 0.075 -0.131 -6.005) 6.007 4.383 ( 0.707 -1.225 -14.150) 14.220 4.394 ( 0.388 -0.672 -5.031) 5.091 4.620 ( -0.496 0.859 -10.114) 10.163 4.658 ( 0.958 -1.659 3.574) 4.055 5.354 ( -0.943 1.634 16.289) 16.398 5.438 ( -2.575 4.460 -5.625) 7.626 5.489 ( -0.692 1.199 0.960) 1.685 5.951 ( -1.126 1.950 30.982) 31.064 5.952 ( -3.914 6.779 10.042) 12.733 6.104 ( 0.060 -0.103 23.059) 23.060 6.316 ( 1.175 -2.036 0.461) 2.395 7.237 ( 3.160 -5.473 1.587) 6.516 7.921 ( 0.754 -1.306 7.079) 7.238 7.942 ( -1.640 2.841 27.397) 27.592 8.133 ( 2.485 -4.304 24.842) 25.334 8.388 ( -2.364 4.095 11.327) 12.274 8.521 ( -0.760 1.317 3.546) 3.858 8.769 ( 3.003 -5.201 12.593) 13.952 9.840 ( -4.166 7.216 23.287) 24.733 9.852 ( -0.559 0.968 22.154) 22.182 10.217 ( 0.609 -1.055 18.205) 18.246 10.355 ( 4.134 -7.160 18.923) 20.650 10.803 ( -1.408 2.439 15.375) 15.631 10.871 ( 0.105 -0.181 15.319) 15.321 11.500 ( -0.721 1.248 -2.676) 3.039 11.585 ( 0.906 -1.569 -4.368) 4.729 11.644 ( -0.163 0.282 9.159) 9.165 12.595 ( -0.426 0.738 -4.041) 4.130 17.385 ( -2.494 4.320 -2.815) 5.728 17.693 ( 0.774 -1.341 -1.346) 2.051 17.973 ( 8.411 -14.567 1.863) 16.924 18.387 ( 0.599 -1.038 1.894) 2.241 19.114 ( -1.993 3.453 19.493) 19.896 19.135 ( -3.268 5.661 9.376) 11.429 19.950 ( -1.054 1.826 -1.762) 2.748 20.448 ( -0.191 0.331 5.536) 5.549 20.473 ( 0.180 -0.311 5.661) 5.672 23.657 ( 3.040 -5.265 64.868) 65.152 25.874 ( -3.441 5.960 33.391) 34.093 26.224 ( 2.618 -4.535 27.772) 28.261 31.416 ( -2.222 3.848 -0.880) 4.530 31.674 ( 2.132 -3.692 0.890) 4.355 36.560 ( 1.244 -2.154 -0.322) 2.508 37.592 ( -6.927 11.998 -10.094) 17.141 38.312 ( 6.024 -10.433 -16.940) 20.787 39.081 ( -1.955 3.387 -28.187) 28.457 ======================= Grid point 237 (40/56) ======================= q-point: ( 0.29 0.29 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 1.601 2.772 1.751) 3.649 1.728 ( -2.213 -3.833 -3.257) 5.495 2.596 ( -1.354 -2.345 3.757) 4.631 2.721 ( 0.524 0.907 -16.874) 16.906 2.752 ( 0.230 0.399 -12.818) 12.827 3.092 ( -0.172 -0.299 -9.331) 9.338 3.140 ( 1.214 2.103 -0.345) 2.452 3.174 ( 0.592 1.025 -6.139) 6.252 3.293 ( -3.193 -5.531 -24.920) 25.725 3.735 ( 1.079 1.868 2.925) 3.635 3.774 ( -0.783 -1.356 5.073) 5.309 3.878 ( -1.010 -1.749 -0.258) 2.036 4.212 ( 2.051 3.552 0.447) 4.126 4.261 ( 0.445 0.771 -2.706) 2.849 4.365 ( -0.704 -1.219 -18.160) 18.214 4.394 ( -1.632 -2.827 -5.044) 6.008 4.634 ( 0.010 0.017 -6.996) 6.996 4.634 ( 0.182 0.314 -0.346) 0.502 5.377 ( 1.330 2.303 18.734) 18.922 5.473 ( 2.338 4.049 -4.768) 6.678 5.509 ( -0.010 -0.017 -2.206) 2.206 5.982 ( 1.065 1.845 29.738) 29.814 6.019 ( 0.068 0.117 27.396) 27.397 6.164 ( 3.258 5.644 4.653) 8.007 6.227 ( 2.796 4.843 2.192) 6.006 7.182 ( -6.438 -11.151 1.960) 13.025 7.899 ( 0.675 1.169 4.335) 4.540 8.000 ( 0.518 0.898 25.033) 25.054 8.061 ( -1.133 -1.962 30.128) 30.213 8.449 ( 5.239 9.075 9.670) 14.259 8.523 ( -0.373 -0.646 4.432) 4.494 8.707 ( -5.161 -8.939 15.316) 18.470 9.863 ( 0.639 1.107 22.586) 22.622 9.954 ( 3.572 6.186 18.031) 19.395 10.189 ( 0.033 0.056 22.682) 22.682 10.260 ( -4.406 -7.631 17.267) 19.385 10.835 ( 1.035 1.792 16.082) 16.214 10.862 ( 0.076 0.132 15.491) 15.492 11.521 ( 0.818 1.418 -3.502) 3.866 11.562 ( -0.881 -1.526 -4.287) 4.635 11.647 ( 0.070 0.122 9.382) 9.383 12.605 ( 0.114 0.198 -4.374) 4.380 17.468 ( 1.237 2.143 -3.014) 3.900 17.715 ( -2.609 -4.520 0.358) 5.231 17.746 ( -5.351 -9.268 -0.788) 10.731 18.375 ( -0.229 -0.397 2.379) 2.422 19.153 ( 2.616 4.531 17.041) 17.826 19.196 ( 0.675 1.170 14.211) 14.275 19.968 ( 2.175 3.767 -3.360) 5.497 20.452 ( 0.432 0.748 5.543) 5.610 20.469 ( -0.409 -0.709 5.643) 5.702 23.603 ( -4.378 -7.583 65.130) 65.716 25.956 ( 5.075 8.790 32.520) 34.067 26.156 ( -4.045 -7.007 28.992) 30.100 31.474 ( 3.222 5.580 -0.512) 6.463 31.618 ( -3.158 -5.470 0.454) 6.333 36.536 ( -0.640 -1.109 0.385) 1.337 37.758 ( 10.139 17.561 -12.634) 23.892 38.163 ( -8.566 -14.837 -14.921) 22.719 39.117 ( 1.672 2.896 -28.857) 29.050 ======================= Grid point 275 (41/56) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -0.000 0.000 -9.331) 9.331 1.869 ( -0.000 0.000 -9.331) 9.331 2.287 ( -0.000 0.000 -6.494) 6.494 2.287 ( -0.000 0.000 -6.494) 6.494 2.611 ( 0.000 0.000 -6.219) 6.219 2.781 ( 0.000 0.000 -31.810) 31.810 2.903 ( 0.000 0.000 -2.144) 2.144 2.903 ( -0.000 -0.000 -2.144) 2.144 3.566 ( 0.000 0.000 0.725) 0.725 3.752 ( -0.000 0.000 5.710) 5.710 3.752 ( 0.000 0.000 5.710) 5.710 4.109 ( 0.000 0.000 -1.824) 1.824 4.111 ( -0.000 0.000 -5.001) 5.001 4.111 ( 0.000 0.000 -5.001) 5.001 4.232 ( 0.000 0.000 1.060) 1.060 4.479 ( -0.000 0.000 -5.657) 5.657 4.479 ( -0.000 0.000 -5.657) 5.657 4.552 ( 0.000 -0.000 12.011) 12.011 5.049 ( 0.000 -0.000 -7.730) 7.730 5.346 ( -0.000 0.000 -0.104) 0.104 5.346 ( 0.000 0.000 -0.104) 0.104 5.775 ( 0.000 0.000 14.907) 14.907 6.033 ( 0.000 0.000 0.604) 0.604 6.427 ( 0.000 0.000 16.368) 16.368 6.427 ( 0.000 -0.000 16.368) 16.368 7.708 ( 0.000 0.000 -0.123) 0.123 7.708 ( 0.000 0.000 -0.123) 0.123 8.114 ( 0.000 0.000 0.150) 0.150 8.604 ( -0.000 0.000 20.845) 20.845 8.604 ( -0.000 0.000 20.845) 20.845 8.829 ( -0.000 0.000 2.678) 2.678 8.829 ( 0.000 0.000 2.678) 2.678 10.001 ( 0.000 -0.000 13.396) 13.396 10.511 ( -0.000 0.000 8.172) 8.172 10.703 ( -0.000 0.000 20.141) 20.141 10.703 ( 0.000 0.000 20.141) 20.141 10.981 ( 0.000 0.000 7.857) 7.857 10.981 ( -0.000 0.000 7.857) 7.857 11.697 ( 0.000 0.000 2.919) 2.919 11.697 ( 0.000 0.000 2.919) 2.919 11.760 ( 0.000 0.000 7.829) 7.829 12.582 ( -0.000 0.000 -1.639) 1.639 18.300 ( 0.000 0.000 -1.992) 1.992 18.300 ( -0.000 0.000 -1.992) 1.992 18.498 ( -0.000 0.000 -2.229) 2.229 18.498 ( -0.000 0.000 -2.229) 2.229 18.887 ( -0.000 0.000 8.701) 8.701 18.887 ( 0.000 0.000 8.701) 8.701 18.901 ( 0.000 0.000 -5.072) 5.072 20.503 ( -0.000 -0.000 3.841) 3.841 20.601 ( 0.000 0.000 3.785) 3.785 26.136 ( 0.000 0.000 29.850) 29.850 26.136 ( -0.000 0.000 29.850) 29.850 26.218 ( -0.000 0.000 13.622) 13.622 31.289 ( 0.000 0.000 0.137) 0.137 31.824 ( -0.000 0.000 0.108) 0.108 36.589 ( 0.000 0.000 -1.211) 1.211 36.589 ( -0.000 -0.000 -1.211) 1.211 38.489 ( 0.000 0.000 -8.824) 8.824 38.489 ( 0.000 0.000 -8.824) 8.824 ======================= Grid point 276 (42/56) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -4.260 -2.460 -12.263) 13.213 1.869 ( 0.216 0.125 -13.461) 13.463 2.244 ( -1.999 -1.154 -0.831) 2.453 2.298 ( 0.489 0.282 -10.024) 10.040 2.677 ( 2.667 1.540 -6.272) 6.987 2.815 ( 3.875 2.237 -25.428) 25.818 2.934 ( 2.227 1.286 -1.996) 3.255 2.967 ( 4.851 2.801 -4.478) 7.171 3.505 ( -5.661 -3.268 1.706) 6.756 3.619 ( -5.864 -3.386 2.236) 7.131 3.794 ( 3.532 2.039 6.460) 7.640 4.060 ( -3.437 -1.985 -3.461) 5.266 4.089 ( 0.502 0.290 -1.317) 1.438 4.187 ( -3.633 -2.098 -1.001) 4.313 4.214 ( 2.622 1.514 -5.267) 6.075 4.467 ( -1.397 -0.806 -5.948) 6.162 4.477 ( -0.213 -0.123 -5.197) 5.203 4.618 ( 5.997 3.463 11.921) 13.787 5.068 ( 3.121 1.802 -6.328) 7.282 5.330 ( -1.547 -0.893 -0.891) 1.997 5.514 ( 12.976 7.492 0.053) 14.984 5.768 ( -0.599 -0.346 14.458) 14.475 6.006 ( -1.398 -0.807 1.079) 1.941 6.426 ( -0.187 -0.108 15.988) 15.989 6.448 ( 1.801 1.040 16.091) 16.225 7.749 ( 3.695 2.133 0.136) 4.269 7.824 ( 9.011 5.202 0.023) 10.405 8.019 ( -7.739 -4.468 0.954) 8.987 8.583 ( -1.949 -1.125 21.548) 21.666 8.634 ( 2.231 1.288 21.871) 22.023 8.789 ( -3.317 -1.915 2.430) 4.536 8.862 ( 2.823 1.630 2.024) 3.837 10.043 ( 3.562 2.057 13.555) 14.165 10.466 ( -3.976 -2.296 12.616) 13.426 10.690 ( -1.766 -1.020 19.298) 19.406 10.712 ( 0.975 0.563 17.498) 17.534 10.968 ( -0.983 -0.568 6.535) 6.633 10.974 ( -0.328 -0.189 6.778) 6.788 11.661 ( -2.677 -1.545 4.486) 5.448 11.675 ( -1.940 -1.120 2.874) 3.644 11.776 ( 0.985 0.569 7.016) 7.108 12.576 ( -0.638 -0.369 -1.841) 1.983 18.002 ( -20.381 -11.767 -2.911) 23.714 18.192 ( -12.428 -7.175 -2.443) 14.557 18.360 ( -5.128 -2.961 -0.889) 5.988 18.435 ( -3.017 -1.742 0.375) 3.503 18.932 ( 4.438 2.563 3.698) 6.320 19.044 ( 10.622 6.133 7.165) 14.205 19.247 ( 20.602 11.894 -0.842) 23.804 20.507 ( 0.389 0.224 3.794) 3.821 20.597 ( -0.409 -0.236 3.730) 3.760 25.645 ( -26.061 -15.046 28.622) 41.530 26.188 ( 4.514 2.606 29.322) 29.782 26.547 ( 12.125 7.000 18.109) 22.890 31.297 ( 0.801 0.462 0.114) 0.932 31.816 ( -0.814 -0.470 0.622) 1.126 36.585 ( -0.314 -0.181 -1.044) 1.105 36.713 ( 10.885 6.285 -2.614) 12.838 38.441 ( -4.388 -2.534 -9.076) 10.394 38.514 ( 2.106 1.216 -10.200) 10.486 ======================= Grid point 277 (43/56) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -10.174 -5.874 -4.420) 12.552 1.880 ( 0.710 0.410 -25.256) 25.269 2.209 ( -1.644 -0.949 2.709) 3.308 2.317 ( 1.881 1.086 -18.980) 19.104 2.674 ( -1.371 -0.792 -7.796) 7.955 2.926 ( 3.579 2.066 -19.454) 19.888 2.981 ( 1.978 1.142 -2.335) 3.266 3.034 ( 0.986 0.569 0.259) 1.167 3.377 ( -4.069 -2.349 4.333) 6.391 3.618 ( 4.283 2.473 -0.458) 4.967 3.867 ( 1.897 1.095 5.805) 6.205 3.976 ( -3.345 -1.931 -2.422) 4.560 4.105 ( -1.833 -1.058 -2.736) 3.459 4.128 ( 1.445 0.834 0.183) 1.678 4.210 ( -1.534 -0.886 -7.619) 7.823 4.422 ( -2.382 -1.375 -6.026) 6.624 4.465 ( -1.058 -0.611 -4.700) 4.857 4.766 ( 5.518 3.186 10.213) 12.038 5.185 ( 6.245 3.606 -3.982) 8.238 5.295 ( -0.271 -0.156 -2.865) 2.882 5.754 ( -0.082 -0.047 13.573) 13.573 5.789 ( 9.426 5.442 1.488) 10.986 6.048 ( 7.054 4.073 0.829) 8.187 6.418 ( -0.437 -0.252 15.692) 15.700 6.493 ( 2.068 1.194 15.276) 15.461 7.710 ( -15.587 -8.999 0.341) 18.001 7.859 ( 6.049 3.492 0.644) 7.014 8.129 ( 13.258 7.654 2.116) 15.454 8.524 ( -3.250 -1.876 22.985) 23.289 8.678 ( 0.911 0.526 18.398) 18.428 8.707 ( -3.224 -1.861 7.284) 8.180 8.927 ( 2.571 1.484 2.362) 3.794 10.131 ( 4.017 2.319 14.023) 14.770 10.360 ( -5.167 -2.983 18.525) 19.462 10.623 ( -3.844 -2.219 16.768) 17.345 10.746 ( 2.008 1.159 15.231) 15.406 10.951 ( -0.365 -0.211 4.917) 4.936 10.983 ( 1.234 0.713 4.158) 4.395 11.601 ( -2.549 -1.472 6.099) 6.772 11.623 ( -2.522 -1.456 2.509) 3.844 11.794 ( 0.668 0.386 6.814) 6.857 12.553 ( -1.348 -0.778 -2.296) 2.774 17.583 ( -16.872 -9.741 -2.948) 19.704 17.889 ( -13.017 -7.515 -2.410) 15.223 18.258 ( -4.653 -2.686 -0.208) 5.377 18.407 ( -0.031 -0.018 0.584) 0.585 19.033 ( 4.362 2.519 1.920) 5.391 19.245 ( 7.403 4.274 8.271) 11.894 19.654 ( 15.895 9.177 -0.539) 18.362 20.519 ( 0.659 0.380 3.683) 3.760 20.584 ( -0.679 -0.392 3.612) 3.696 25.116 ( -21.347 -12.325 34.943) 42.762 26.308 ( 5.921 3.418 28.026) 28.848 26.715 ( 3.936 2.273 18.792) 19.334 31.326 ( 1.836 1.060 0.114) 2.123 31.787 ( -1.818 -1.050 1.457) 2.555 36.578 ( -0.332 -0.191 -0.716) 0.812 37.011 ( 15.207 8.780 -4.752) 18.191 38.308 ( -7.583 -4.378 -9.960) 13.262 38.568 ( 2.495 1.440 -13.237) 13.547 ======================= Grid point 278 (44/56) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -6.171 -3.563 2.555) 7.570 1.892 ( 0.280 0.161 -34.991) 34.993 2.184 ( -0.517 -0.298 4.617) 4.656 2.362 ( 1.330 0.768 -25.233) 25.280 2.688 ( 3.450 1.992 -2.945) 4.954 2.863 ( -6.916 -3.993 -11.367) 13.891 3.013 ( 0.786 0.454 -2.062) 2.253 3.073 ( 1.793 1.035 -6.352) 6.681 3.351 ( 0.458 0.264 5.538) 5.563 3.708 ( 2.313 1.335 2.607) 3.732 3.874 ( 0.559 0.323 -0.383) 0.751 3.925 ( -1.826 -1.054 -0.461) 2.159 4.088 ( -1.525 -0.880 -6.631) 6.860 4.111 ( -0.413 -0.239 -3.536) 3.568 4.260 ( 4.357 2.516 0.487) 5.055 4.379 ( -1.377 -0.795 -4.742) 5.002 4.430 ( -1.881 -1.086 -3.671) 4.265 4.805 ( -0.707 -0.408 4.829) 4.898 5.256 ( 1.432 0.827 -4.479) 4.774 5.360 ( 3.132 1.808 -1.410) 3.881 5.743 ( -0.477 -0.275 13.485) 13.496 5.929 ( 3.809 2.199 2.197) 4.917 6.260 ( 8.571 4.948 0.629) 9.917 6.412 ( -0.010 -0.006 15.240) 15.240 6.525 ( 0.711 0.411 14.529) 14.552 7.382 ( -11.334 -6.544 0.927) 13.120 7.976 ( 3.663 2.115 0.628) 4.276 8.373 ( 6.997 4.040 5.219) 9.618 8.475 ( 0.726 0.419 20.437) 20.454 8.592 ( -5.786 -3.340 2.436) 7.111 8.722 ( 1.070 0.618 25.386) 25.416 8.958 ( 0.407 0.235 3.978) 4.005 10.195 ( 1.628 0.940 14.533) 14.655 10.272 ( -2.376 -1.372 21.539) 21.713 10.556 ( -1.793 -1.035 14.451) 14.599 10.783 ( 1.093 0.631 15.519) 15.570 10.951 ( 0.135 0.078 3.926) 3.929 11.013 ( 1.013 0.585 1.812) 2.157 11.561 ( -0.995 -0.575 6.907) 7.002 11.579 ( -1.233 -0.712 1.908) 2.380 11.804 ( 0.231 0.133 6.790) 6.795 12.527 ( -0.815 -0.471 -2.676) 2.836 17.321 ( -6.583 -3.801 -2.782) 8.094 17.686 ( -5.056 -2.919 -2.686) 6.427 18.182 ( -1.954 -1.128 0.347) 2.283 18.411 ( 0.175 0.101 0.253) 0.323 19.102 ( 1.762 1.017 0.862) 2.210 19.354 ( 2.538 1.465 9.239) 9.693 19.896 ( 5.913 3.414 -0.237) 6.831 20.533 ( 0.513 0.296 3.588) 3.636 20.570 ( -0.520 -0.300 3.521) 3.572 24.785 ( -8.223 -4.748 38.922) 40.064 26.412 ( 2.948 1.702 26.722) 26.938 26.750 ( 0.221 0.128 20.333) 20.334 31.365 ( 1.240 0.716 0.175) 1.442 31.750 ( -1.212 -0.700 1.837) 2.310 36.572 ( -0.128 -0.074 -0.493) 0.514 37.293 ( 8.673 5.007 -4.960) 11.175 38.150 ( -5.437 -3.139 -11.569) 13.163 38.608 ( 1.066 0.616 -15.623) 15.671 ======================= Grid point 283 (45/56) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -2.792 -4.835 -15.800) 16.758 1.839 ( -1.436 -2.487 -8.335) 8.816 2.203 ( -1.362 -2.358 -5.446) 6.089 2.306 ( 0.137 0.237 -14.200) 14.203 2.718 ( 0.624 1.081 -3.640) 3.848 2.838 ( 1.015 1.758 -23.034) 23.124 3.009 ( 1.933 3.348 1.275) 4.070 3.020 ( 1.416 2.453 -6.349) 6.952 3.406 ( -3.241 -5.614 3.897) 7.563 3.601 ( 1.790 3.100 0.555) 3.623 3.842 ( 1.384 2.397 5.515) 6.170 4.014 ( -1.949 -3.376 -0.998) 4.024 4.090 ( 0.357 0.618 -1.706) 1.849 4.131 ( -1.529 -2.648 -2.809) 4.152 4.222 ( -0.719 -1.246 -6.742) 6.893 4.454 ( -0.495 -0.857 -6.948) 7.018 4.456 ( -0.954 -1.652 -3.967) 4.402 4.723 ( 3.381 5.857 10.930) 12.853 5.149 ( 3.882 6.723 -4.598) 9.023 5.304 ( -0.439 -0.761 -2.004) 2.188 5.743 ( 8.468 14.667 0.462) 16.943 5.759 ( -0.277 -0.479 13.915) 13.926 6.004 ( 1.052 1.822 1.267) 2.455 6.426 ( 0.011 0.020 15.639) 15.639 6.474 ( 0.920 1.593 15.661) 15.769 7.797 ( -7.758 -13.438 0.100) 15.517 7.815 ( 2.734 4.736 0.389) 5.483 8.064 ( 7.789 13.491 2.187) 15.731 8.542 ( -1.661 -2.877 21.339) 21.596 8.665 ( 0.843 1.461 23.610) 23.670 8.722 ( -2.610 -4.520 3.277) 6.163 8.917 ( 1.988 3.443 1.689) 4.320 10.109 ( 2.582 4.472 13.898) 14.826 10.392 ( -2.868 -4.968 16.999) 17.941 10.673 ( -1.130 -1.958 19.687) 19.816 10.699 ( -0.608 -1.053 13.511) 13.565 10.960 ( 0.112 0.195 3.935) 3.941 10.978 ( 0.537 0.930 6.316) 6.406 11.617 ( -1.593 -2.760 5.628) 6.467 11.637 ( -1.523 -2.638 2.782) 4.125 11.791 ( 0.463 0.801 6.808) 6.871 12.562 ( -0.634 -1.099 -2.184) 2.526 17.692 ( -9.939 -17.215 -3.151) 20.126 18.050 ( -6.854 -11.872 -1.626) 13.804 18.153 ( -6.982 -12.092 -1.303) 14.024 18.407 ( -0.185 -0.321 0.576) 0.685 19.109 ( 5.093 8.822 5.306) 11.486 19.157 ( 5.037 8.724 5.354) 11.408 19.544 ( 9.720 16.836 -0.625) 19.451 20.515 ( 0.355 0.615 3.714) 3.781 20.588 ( -0.369 -0.639 3.645) 3.719 25.241 ( -13.917 -24.105 33.409) 43.484 26.280 ( 3.842 6.654 28.357) 29.380 26.683 ( 3.097 5.363 18.459) 19.470 31.320 ( 1.220 2.113 0.126) 2.443 31.794 ( -1.204 -2.086 1.246) 2.711 36.576 ( -0.416 -0.721 -0.671) 1.069 36.930 ( 9.108 15.776 -4.513) 18.767 38.343 ( -4.506 -7.804 -9.371) 13.001 38.558 ( 1.779 3.081 -12.601) 13.093 ======================= Grid point 284 (46/56) ======================= q-point: ( 0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -11.715 1.127 -2.163) 11.967 1.829 ( 5.138 -6.579 -15.721) 17.799 2.175 ( -0.905 -0.115 -10.819) 10.858 2.334 ( 2.902 0.962 -22.193) 22.403 2.697 ( -2.491 1.074 -3.003) 4.046 2.879 ( 2.268 -3.651 -19.780) 20.242 2.996 ( -2.808 -1.076 -1.084) 3.197 3.042 ( 1.047 -2.064 -2.852) 3.673 3.351 ( 0.007 -0.208 7.194) 7.197 3.709 ( 3.348 6.861 1.831) 7.851 3.862 ( 0.374 -0.947 1.726) 2.004 3.944 ( -2.480 -2.263 0.412) 3.383 4.082 ( -0.543 -2.174 -6.238) 6.628 4.135 ( -0.100 2.217 -1.985) 2.978 4.213 ( 2.722 1.023 -2.702) 3.969 4.407 ( -2.494 -1.313 -3.461) 4.464 4.450 ( -0.508 0.337 -6.539) 6.567 4.757 ( 0.318 -5.074 5.662) 7.609 5.283 ( 2.678 7.196 -3.081) 8.273 5.345 ( 2.613 4.831 -1.891) 5.809 5.750 ( -0.486 -0.368 13.381) 13.394 5.958 ( 1.188 11.765 1.508) 11.921 6.139 ( 11.347 5.347 0.855) 12.573 6.425 ( -0.669 0.895 15.470) 15.511 6.501 ( 1.561 -0.393 14.897) 14.984 7.482 ( -12.206 -14.634 0.850) 19.075 7.910 ( 4.474 1.606 0.472) 4.777 8.332 ( 7.567 12.451 2.705) 14.819 8.491 ( -1.555 -0.937 20.628) 20.707 8.638 ( -3.128 -2.728 5.232) 6.678 8.686 ( 1.692 -1.725 24.517) 24.636 8.955 ( -0.035 0.287 3.442) 3.455 10.188 ( 1.986 3.349 14.509) 15.022 10.311 ( -2.675 -1.220 19.737) 19.955 10.597 ( -4.789 -0.793 15.904) 16.629 10.701 ( 3.790 -5.494 14.664) 16.112 10.978 ( 0.084 2.792 3.216) 4.260 11.006 ( 1.033 1.588 4.138) 4.551 11.571 ( -1.298 -1.576 6.356) 6.676 11.588 ( -1.419 -2.051 2.533) 3.555 11.803 ( 0.286 0.442 6.740) 6.760 12.539 ( -0.977 -0.665 -2.667) 2.917 17.427 ( -8.869 -5.202 -2.940) 10.694 17.774 ( -11.755 -5.304 -2.147) 13.074 18.020 ( 5.472 -18.217 -0.902) 19.043 18.406 ( 0.219 -0.239 0.453) 0.557 19.212 ( -2.689 12.270 3.754) 13.110 19.324 ( 5.167 4.206 7.595) 10.103 19.815 ( 8.551 7.252 -0.916) 11.250 20.529 ( 0.519 0.668 3.606) 3.704 20.574 ( -0.529 -0.688 3.547) 3.651 24.848 ( -10.250 -14.282 38.098) 41.958 26.408 ( 3.224 6.844 26.830) 27.876 26.730 ( 0.810 -1.045 20.100) 20.143 31.374 ( 1.362 4.236 0.263) 4.458 31.741 ( -1.338 -4.106 1.658) 4.625 36.563 ( 0.048 -1.169 -0.197) 1.186 37.248 ( 9.791 15.791 -5.962) 19.513 38.165 ( -5.724 -10.731 -9.983) 15.734 38.613 ( 1.069 2.906 -15.609) 15.913 ======================= Grid point 285 (47/56) ======================= q-point: ( 0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -4.251 7.363 1.452) 8.626 1.848 ( 3.764 -6.519 -19.352) 20.765 2.166 ( -1.133 1.963 -10.647) 10.885 2.374 ( 0.038 -0.066 -25.761) 25.761 2.701 ( 1.160 -2.010 2.082) 3.118 2.822 ( -0.137 0.237 -17.048) 17.050 2.996 ( 1.014 -1.757 -1.765) 2.689 3.025 ( 2.546 -4.410 -7.340) 8.934 3.360 ( 0.223 -0.386 7.858) 7.871 3.767 ( -2.397 4.151 4.637) 6.669 3.887 ( -0.365 0.632 -0.294) 0.787 3.890 ( 1.122 -1.943 0.005) 2.244 4.056 ( 1.080 -1.871 -9.298) 9.546 4.144 ( -2.080 3.603 -2.110) 4.665 4.281 ( 0.444 -0.769 0.481) 1.010 4.364 ( 0.612 -1.061 -0.653) 1.388 4.445 ( -1.716 2.972 -6.351) 7.219 4.715 ( 4.061 -7.034 0.752) 8.157 5.343 ( -3.571 6.185 -3.175) 7.816 5.399 ( -1.111 1.925 -1.286) 2.568 5.741 ( 0.023 -0.039 13.371) 13.371 6.026 ( -4.485 7.768 2.037) 9.198 6.303 ( 0.594 -1.028 1.208) 1.694 6.425 ( -0.730 1.264 14.659) 14.732 6.512 ( 0.942 -1.631 14.518) 14.640 7.268 ( 2.790 -4.832 1.400) 5.752 7.959 ( 1.796 -3.111 0.365) 3.611 8.437 ( -1.913 3.314 13.174) 13.719 8.541 ( -1.898 3.288 13.759) 14.273 8.558 ( -0.863 1.494 1.197) 2.100 8.694 ( 1.948 -3.374 25.702) 25.996 8.944 ( 0.947 -1.640 5.174) 5.509 10.221 ( -0.893 1.546 14.843) 14.950 10.287 ( -1.575 2.728 20.415) 20.656 10.548 ( -0.130 0.225 14.630) 14.632 10.707 ( 3.968 -6.872 15.151) 17.103 10.996 ( -1.744 3.021 4.616) 5.786 11.025 ( -0.359 0.622 1.598) 1.752 11.552 ( 0.191 -0.331 6.446) 6.457 11.565 ( 0.425 -0.735 2.368) 2.515 11.807 ( -0.092 0.159 6.718) 6.721 12.526 ( -0.181 0.313 -2.908) 2.930 17.328 ( -2.579 4.467 -2.668) 5.808 17.647 ( 0.589 -1.021 -2.640) 2.891 17.978 ( 9.613 -16.649 -0.659) 19.236 18.407 ( 0.281 -0.487 0.411) 0.697 19.249 ( -6.211 10.757 2.856) 12.746 19.386 ( -0.944 1.635 8.732) 8.934 19.923 ( 0.189 -0.327 -1.015) 1.083 20.539 ( -0.184 0.318 3.557) 3.576 20.564 ( 0.191 -0.331 3.505) 3.525 24.692 ( 2.556 -4.427 39.907) 40.233 26.476 ( -2.673 4.631 25.844) 26.392 26.723 ( 1.676 -2.902 21.293) 21.555 31.414 ( -2.474 4.285 0.388) 4.964 31.702 ( 2.396 -4.151 1.703) 5.086 36.558 ( 0.670 -1.161 -0.004) 1.341 37.437 ( -5.442 9.426 -5.817) 12.341 38.037 ( 4.737 -8.204 -10.842) 14.398 38.636 ( -1.054 1.826 -16.921) 17.052 ======================= Grid point 292 (48/56) ======================= q-point: ( 0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -1.582 -2.740 -2.524) 4.047 1.690 ( 0.005 0.008 -4.364) 4.364 2.239 ( 2.903 5.029 -23.382) 24.093 2.344 ( -0.349 -0.605 -24.475) 24.485 2.673 ( -1.291 -2.237 2.262) 3.433 2.820 ( -1.511 -2.618 -18.010) 18.262 2.975 ( -0.655 -1.135 -5.752) 5.899 2.982 ( -0.968 -1.677 -4.599) 4.990 3.344 ( -0.364 -0.631 9.969) 9.996 3.833 ( -0.697 -1.208 -1.040) 1.740 3.836 ( 3.063 5.306 5.341) 8.128 3.910 ( -0.996 -1.725 4.798) 5.195 4.033 ( -1.092 -1.891 -12.792) 12.977 4.224 ( 2.530 4.381 0.255) 5.066 4.231 ( 1.083 1.876 -0.321) 2.189 4.354 ( -2.137 -3.702 -0.401) 4.293 4.493 ( 2.077 3.597 -7.284) 8.385 4.627 ( -3.936 -6.817 -1.405) 7.996 5.406 ( 2.494 4.320 -1.966) 5.362 5.422 ( 1.374 2.381 -1.934) 3.361 5.740 ( -0.259 -0.448 13.421) 13.431 6.166 ( 4.060 7.032 1.185) 8.205 6.235 ( 2.754 4.769 1.452) 5.695 6.447 ( 0.735 1.274 14.858) 14.930 6.484 ( -0.675 -1.168 14.715) 14.776 7.222 ( -5.903 -10.224 1.776) 11.939 7.918 ( -0.151 -0.262 0.243) 0.388 8.504 ( 1.492 2.583 14.933) 15.228 8.531 ( 3.595 6.226 1.449) 7.334 8.613 ( -0.273 -0.473 11.438) 11.451 8.635 ( -1.449 -2.510 25.720) 25.883 8.923 ( -1.529 -2.649 6.173) 6.890 10.239 ( 0.947 1.640 15.083) 15.201 10.328 ( 1.259 2.180 18.021) 18.196 10.584 ( -1.944 -3.367 14.501) 15.013 10.590 ( -1.161 -2.010 17.132) 17.289 11.026 ( 0.969 1.679 2.067) 2.834 11.032 ( 0.502 0.870 4.170) 4.289 11.550 ( -0.305 -0.529 5.433) 5.467 11.556 ( -0.630 -1.091 3.388) 3.615 11.809 ( 0.105 0.181 6.655) 6.658 12.531 ( -0.106 -0.183 -3.091) 3.098 17.411 ( 1.540 2.668 -2.621) 4.044 17.693 ( -3.080 -5.336 -1.791) 6.416 17.711 ( -5.467 -9.470 -2.133) 11.141 18.401 ( -0.112 -0.193 0.608) 0.648 19.384 ( 2.455 4.253 7.185) 8.703 19.389 ( 1.675 2.901 6.009) 6.879 19.911 ( 1.586 2.747 -2.265) 3.898 20.542 ( 0.431 0.746 3.536) 3.639 20.560 ( -0.438 -0.759 3.509) 3.617 24.646 ( -3.487 -6.040 40.315) 40.914 26.540 ( 3.690 6.391 24.945) 26.014 26.676 ( -2.435 -4.217 22.220) 22.747 31.478 ( 3.574 6.190 0.707) 7.183 31.639 ( -3.512 -6.083 1.405) 7.163 36.544 ( -0.350 -0.607 0.413) 0.813 37.560 ( 9.235 15.995 -7.440) 19.911 37.925 ( -7.977 -13.816 -9.164) 18.398 38.656 ( 0.789 1.366 -17.751) 17.820 ======================= Grid point 330 (49/56) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 0.000 -11.265) 11.265 1.571 ( 0.000 0.000 -11.265) 11.265 2.315 ( 0.000 0.000 -13.338) 13.338 2.328 ( 0.000 0.000 3.213) 3.213 2.328 ( -0.000 0.000 3.213) 3.213 2.517 ( 0.000 -0.000 -2.679) 2.679 2.876 ( -0.000 0.000 -0.677) 0.677 2.876 ( -0.000 0.000 -0.677) 0.677 3.593 ( 0.000 0.000 1.213) 1.213 3.841 ( 0.000 0.000 2.746) 2.746 3.841 ( 0.000 0.000 2.746) 2.746 4.030 ( 0.000 0.000 -2.493) 2.493 4.030 ( 0.000 0.000 -2.493) 2.493 4.080 ( 0.000 0.000 -0.869) 0.869 4.250 ( 0.000 0.000 0.549) 0.549 4.398 ( -0.000 0.000 -2.330) 2.330 4.398 ( -0.000 0.000 -2.330) 2.330 4.711 ( 0.000 -0.000 4.047) 4.047 4.941 ( 0.000 -0.000 -2.895) 2.895 5.350 ( -0.000 0.000 0.272) 0.272 5.350 ( 0.000 0.000 0.272) 0.272 5.972 ( 0.000 0.000 5.491) 5.491 6.038 ( 0.000 0.000 -0.389) 0.389 6.632 ( -0.000 0.000 4.960) 4.960 6.632 ( 0.000 0.000 4.960) 4.960 7.703 ( 0.000 0.000 -0.207) 0.207 7.703 ( -0.000 0.000 -0.207) 0.207 8.113 ( 0.000 0.000 -0.142) 0.142 8.748 ( -0.000 0.000 0.535) 0.535 8.748 ( -0.000 0.000 0.535) 0.535 9.012 ( 0.000 0.000 8.245) 8.245 9.012 ( 0.000 0.000 8.245) 8.245 10.181 ( 0.000 0.000 4.714) 4.714 10.629 ( 0.000 0.000 3.242) 3.242 10.981 ( -0.000 0.000 7.439) 7.439 10.981 ( -0.000 0.000 7.439) 7.439 11.071 ( -0.000 0.000 1.918) 1.918 11.071 ( 0.000 0.000 1.918) 1.918 11.749 ( 0.000 0.000 1.717) 1.717 11.749 ( 0.000 0.000 1.717) 1.717 11.866 ( -0.000 0.000 2.772) 2.772 12.559 ( 0.000 0.000 -0.612) 0.612 18.271 ( -0.000 0.000 -0.806) 0.806 18.271 ( 0.000 0.000 -0.806) 0.806 18.469 ( -0.000 0.000 -0.772) 0.772 18.469 ( -0.000 0.000 -0.772) 0.772 18.831 ( 0.000 0.000 -1.870) 1.870 18.988 ( -0.000 0.000 2.191) 2.191 18.988 ( 0.000 0.000 2.191) 2.191 20.555 ( 0.000 0.000 1.370) 1.370 20.651 ( 0.000 0.000 1.297) 1.297 26.404 ( -0.000 0.000 4.910) 4.910 26.547 ( -0.000 0.000 10.955) 10.955 26.547 ( 0.000 0.000 10.955) 10.955 31.294 ( -0.000 0.000 0.183) 0.183 31.827 ( 0.000 0.000 0.083) 0.083 36.574 ( 0.000 0.000 -0.357) 0.357 36.574 ( -0.000 0.000 -0.357) 0.357 38.370 ( 0.000 0.000 -3.111) 3.111 38.370 ( 0.000 0.000 -3.111) 3.111 ======================= Grid point 331 (50/56) ======================= q-point: ( 0.14 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -6.681 -3.857 -12.857) 14.994 1.573 ( 0.513 0.296 -10.918) 10.934 2.275 ( -4.135 -2.387 1.927) 5.149 2.326 ( -0.174 -0.100 3.479) 3.485 2.378 ( 2.417 1.395 -12.587) 12.892 2.601 ( 5.932 3.425 -2.662) 7.349 2.912 ( 2.714 1.567 -0.456) 3.167 2.944 ( 6.161 3.557 -0.308) 7.121 3.543 ( -4.290 -2.477 1.417) 5.152 3.664 ( -8.086 -4.668 1.637) 9.479 3.907 ( 5.430 3.135 4.314) 7.611 3.989 ( -3.394 -1.960 -2.526) 4.663 4.036 ( 0.842 0.486 -3.180) 3.325 4.161 ( 1.177 0.680 -0.590) 1.482 4.176 ( -5.533 -3.194 -0.495) 6.408 4.382 ( -1.483 -0.856 -2.322) 2.885 4.410 ( 0.468 0.270 -1.693) 1.777 4.775 ( 5.793 3.345 4.021) 7.805 4.981 ( 4.759 2.747 -2.280) 5.949 5.322 ( -2.808 -1.621 -0.126) 3.245 5.518 ( 13.197 7.619 0.198) 15.240 5.961 ( -0.923 -0.533 5.457) 5.560 6.016 ( -1.186 -0.685 -0.348) 1.413 6.627 ( -0.454 -0.262 4.857) 4.885 6.649 ( 1.384 0.799 4.834) 5.092 7.747 ( 3.983 2.300 -0.116) 4.601 7.821 ( 8.809 5.086 -0.173) 10.174 8.026 ( -6.766 -3.906 0.021) 7.812 8.732 ( -1.514 -0.874 0.483) 1.814 8.803 ( 4.481 2.587 0.794) 5.235 8.973 ( -3.194 -1.844 8.410) 9.183 9.028 ( 1.388 0.801 8.297) 8.451 10.226 ( 3.788 2.187 4.790) 6.487 10.625 ( -0.399 -0.230 4.018) 4.044 10.961 ( -2.224 -1.284 8.269) 8.658 10.979 ( -1.191 -0.687 7.734) 7.856 11.033 ( -1.880 -1.085 0.764) 2.301 11.042 ( -2.199 -1.270 0.573) 2.603 11.728 ( -1.885 -1.088 1.786) 2.816 11.733 ( -1.306 -0.754 2.225) 2.688 11.874 ( 0.634 0.366 2.629) 2.729 12.550 ( -0.892 -0.515 -0.696) 1.243 17.960 ( -20.634 -11.913 -1.136) 23.853 18.156 ( -12.309 -7.107 -1.026) 14.250 18.345 ( -5.238 -3.024 -0.460) 6.065 18.434 ( -1.795 -1.036 -0.138) 2.077 18.960 ( 4.684 2.704 0.140) 5.411 19.125 ( 10.967 6.332 1.692) 12.776 19.248 ( 19.303 11.144 0.363) 22.292 20.558 ( 0.322 0.186 1.347) 1.397 20.646 ( -0.487 -0.281 1.268) 1.387 26.018 ( -21.749 -12.557 9.358) 26.801 26.592 ( 3.897 2.250 10.775) 11.677 26.811 ( 11.174 6.451 7.423) 14.885 31.301 ( 0.797 0.460 0.184) 0.938 31.826 ( -0.236 -0.136 0.279) 0.390 36.572 ( -0.134 -0.078 -0.303) 0.341 36.681 ( 9.501 5.486 -0.777) 10.999 38.319 ( -4.686 -2.706 -3.182) 6.277 38.378 ( 0.640 0.370 -3.522) 3.599 ======================= Grid point 332 (51/56) ======================= q-point: ( 0.29 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -3.892 -2.247 -15.394) 16.036 1.601 ( 1.491 0.861 -6.508) 6.732 2.079 ( -12.267 -7.082 -3.596) 14.614 2.307 ( -1.785 -1.031 2.899) 3.557 2.430 ( 2.870 1.657 -10.476) 10.988 2.734 ( 5.730 3.308 -2.603) 7.110 2.974 ( 2.614 1.509 -0.070) 3.019 3.046 ( 0.409 0.236 0.393) 0.615 3.458 ( -1.885 -1.088 2.981) 3.691 3.619 ( 3.223 1.861 -0.026) 3.721 3.918 ( -2.022 -1.168 -1.693) 2.884 3.960 ( -3.109 -1.795 2.649) 4.461 4.071 ( -2.530 -1.461 -1.051) 3.105 4.098 ( -3.755 -2.168 -3.346) 5.476 4.141 ( 7.629 4.404 0.617) 8.830 4.339 ( -2.245 -1.296 -1.999) 3.274 4.406 ( -0.786 -0.454 -1.632) 1.867 4.900 ( 2.890 1.669 3.388) 4.756 5.134 ( 6.982 4.031 -1.268) 8.162 5.256 ( -0.536 -0.310 -0.971) 1.152 5.805 ( 10.768 6.217 0.437) 12.441 5.942 ( -0.944 -0.545 5.053) 5.169 6.052 ( 6.576 3.796 -0.204) 7.596 6.615 ( -0.493 -0.285 4.768) 4.802 6.681 ( 1.411 0.815 4.476) 4.763 7.713 ( -15.073 -8.702 0.019) 17.404 7.863 ( 6.253 3.610 0.042) 7.220 8.147 ( 13.446 7.763 0.220) 15.527 8.683 ( -3.123 -1.803 0.371) 3.625 8.882 ( -1.760 -1.016 8.244) 8.491 8.921 ( 2.813 1.624 1.999) 3.814 9.063 ( 1.641 0.948 8.550) 8.758 10.321 ( 4.367 2.521 4.965) 7.076 10.609 ( -1.005 -0.580 6.658) 6.759 10.860 ( -5.792 -3.344 6.249) 9.153 10.938 ( -1.567 -0.904 3.780) 4.191 11.006 ( -0.753 -0.435 -0.523) 1.015 11.036 ( 0.875 0.505 3.972) 4.098 11.676 ( -2.589 -1.495 1.912) 3.549 11.701 ( -1.492 -0.862 3.012) 3.470 11.888 ( 0.569 0.328 2.491) 2.577 12.521 ( -1.673 -0.966 -0.887) 2.126 17.541 ( -16.786 -9.691 -1.165) 19.417 17.852 ( -13.207 -7.625 -1.075) 15.288 18.250 ( -4.110 -2.373 -0.317) 4.756 18.413 ( -0.223 -0.129 0.095) 0.274 19.047 ( 3.561 2.056 0.068) 4.112 19.341 ( 8.168 4.716 2.112) 9.666 19.648 ( 15.948 9.207 -0.133) 18.415 20.568 ( 0.564 0.325 1.290) 1.445 20.632 ( -0.766 -0.442 1.209) 1.498 25.575 ( -17.933 -10.354 11.685) 23.777 26.695 ( 5.009 2.892 10.327) 11.837 26.978 ( 4.617 2.665 7.136) 8.908 31.331 ( 1.881 1.086 0.205) 2.182 31.809 ( -1.336 -0.771 0.638) 1.670 36.569 ( -0.141 -0.081 -0.193) 0.252 36.950 ( 14.308 8.261 -1.491) 16.588 38.175 ( -8.349 -4.820 -3.450) 10.239 38.394 ( 0.721 0.416 -4.420) 4.498 ======================= Grid point 333 (52/56) ======================= q-point: ( 0.43 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.543 -0.313 -17.983) 17.994 1.582 ( -2.993 -1.728 7.761) 8.495 1.897 ( -2.856 -1.649 -18.718) 19.006 2.265 ( -1.475 -0.851 2.494) 3.020 2.517 ( 4.629 2.673 -7.964) 9.591 2.775 ( -2.961 -1.710 -0.249) 3.428 3.005 ( 0.523 0.302 -0.202) 0.637 3.018 ( 0.050 0.029 -0.735) 0.737 3.448 ( -0.244 -0.141 3.414) 3.425 3.737 ( 6.413 3.702 -1.415) 7.539 3.861 ( -3.998 -2.308 2.138) 5.087 3.916 ( -1.275 -0.736 0.812) 1.681 3.991 ( -1.590 -0.918 -4.626) 4.977 4.039 ( -1.672 -0.965 -2.862) 3.452 4.298 ( -1.155 -0.667 -1.915) 2.333 4.331 ( 5.113 2.952 4.685) 7.537 4.399 ( 1.750 1.010 -1.922) 2.788 4.843 ( -5.234 -3.022 0.014) 6.044 5.208 ( 1.888 1.090 -0.788) 2.318 5.343 ( 3.601 2.079 -0.361) 4.173 5.923 ( -0.558 -0.322 4.634) 4.678 5.958 ( 3.978 2.297 0.730) 4.651 6.260 ( 8.526 4.922 -0.123) 9.845 6.608 ( -0.186 -0.107 4.763) 4.767 6.703 ( 0.492 0.284 4.188) 4.227 7.394 ( -10.996 -6.348 0.277) 12.700 7.980 ( 3.490 2.015 0.040) 4.030 8.403 ( 9.234 5.331 0.325) 10.667 8.591 ( -5.239 -3.025 0.275) 6.055 8.830 ( -1.474 -0.851 10.066) 10.209 8.990 ( 1.952 1.127 0.469) 2.302 9.089 ( 0.585 0.338 9.511) 9.535 10.391 ( 1.829 1.056 5.141) 5.558 10.589 ( -0.645 -0.372 9.580) 9.609 10.764 ( -2.517 -1.453 5.769) 6.460 10.921 ( -0.190 -0.110 -0.745) 0.777 11.007 ( 0.539 0.311 -0.561) 0.838 11.046 ( -0.038 -0.022 5.148) 5.148 11.631 ( -1.258 -0.726 2.044) 2.508 11.676 ( -0.670 -0.387 3.453) 3.539 11.897 ( 0.208 0.120 2.445) 2.457 12.489 ( -0.969 -0.559 -1.048) 1.533 17.281 ( -6.514 -3.761 -1.115) 7.604 17.646 ( -5.162 -2.980 -1.174) 6.075 18.182 ( -1.793 -1.035 -0.122) 2.074 18.413 ( 0.079 0.046 0.024) 0.095 19.104 ( 1.448 0.836 -0.217) 1.687 19.462 ( 2.858 1.650 2.429) 4.097 19.892 ( 5.967 3.445 -0.150) 6.891 20.580 ( 0.466 0.269 1.235) 1.347 20.616 ( -0.554 -0.320 1.170) 1.334 25.297 ( -6.947 -4.011 13.023) 15.295 26.782 ( 2.402 1.387 9.878) 10.260 27.031 ( 0.838 0.484 7.475) 7.537 31.370 ( 1.282 0.740 0.243) 1.500 31.778 ( -1.079 -0.623 0.846) 1.506 36.567 ( -0.054 -0.031 -0.116) 0.131 37.229 ( 9.080 5.242 -1.618) 10.609 37.995 ( -6.449 -3.723 -3.999) 8.453 38.405 ( 0.294 0.170 -5.115) 5.127 ======================= Grid point 338 (53/56) ======================= q-point: ( 0.14 0.14 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -1.883 -3.262 -13.785) 14.291 1.591 ( 1.059 1.834 -10.105) 10.324 2.221 ( -4.800 -8.314 1.952) 9.797 2.224 ( -3.449 -5.974 1.853) 7.143 2.433 ( 1.799 3.115 -13.618) 14.085 2.662 ( 1.706 2.955 -1.677) 3.802 2.984 ( 1.838 3.184 -0.403) 3.699 3.028 ( 2.646 4.582 0.532) 5.318 3.476 ( -1.723 -2.984 2.385) 4.191 3.625 ( 1.273 2.204 1.143) 2.790 3.909 ( -1.705 -2.952 0.812) 3.505 4.022 ( 1.818 3.149 2.487) 4.406 4.032 ( -0.132 -0.228 -2.619) 2.632 4.085 ( -1.833 -3.175 -2.325) 4.341 4.144 ( -1.501 -2.600 -1.725) 3.462 4.365 ( -0.690 -1.195 -2.154) 2.558 4.402 ( -0.605 -1.048 -1.448) 1.887 4.867 ( 2.233 3.868 3.701) 5.801 5.088 ( 4.810 8.331 -1.522) 9.739 5.277 ( -0.878 -1.521 -0.679) 1.883 5.750 ( 8.623 14.936 0.215) 17.248 5.947 ( -0.477 -0.826 5.270) 5.356 6.015 ( 1.065 1.845 -0.223) 2.142 6.622 ( -0.128 -0.221 4.717) 4.724 6.668 ( 0.624 1.081 4.645) 4.809 7.796 ( -7.332 -12.699 -0.059) 14.664 7.817 ( 2.830 4.901 -0.022) 5.660 8.082 ( 7.905 13.693 0.223) 15.813 8.683 ( -2.170 -3.758 0.554) 4.374 8.893 ( 3.240 5.612 1.287) 6.607 8.925 ( -1.643 -2.845 8.687) 9.288 9.044 ( 0.471 0.816 8.263) 8.316 10.297 ( 2.796 4.843 4.920) 7.449 10.615 ( -0.513 -0.888 5.763) 5.854 10.903 ( -2.707 -4.689 5.529) 7.738 10.943 ( -1.972 -3.416 7.059) 8.086 10.993 ( -0.577 -1.000 0.724) 1.363 11.045 ( 0.521 0.903 1.387) 1.735 11.692 ( -1.433 -2.482 1.922) 3.451 11.709 ( -0.971 -1.682 2.794) 3.403 11.885 ( 0.368 0.638 2.513) 2.619 12.531 ( -0.842 -1.459 -0.838) 1.882 17.647 ( -9.964 -17.257 -1.227) 19.965 18.022 ( -6.612 -11.452 -0.847) 13.250 18.131 ( -7.154 -12.391 -0.654) 14.323 18.412 ( -0.204 -0.353 0.089) 0.418 19.159 ( 5.735 9.934 0.763) 11.496 19.218 ( 4.784 8.287 1.320) 9.659 19.542 ( 9.468 16.399 0.102) 18.936 20.565 ( 0.299 0.519 1.306) 1.437 20.636 ( -0.422 -0.730 1.225) 1.487 25.680 ( -11.678 -20.228 11.164) 25.888 26.672 ( 3.271 5.665 10.431) 12.313 26.944 ( 3.371 5.839 7.117) 9.804 31.325 ( 1.261 2.185 0.205) 2.531 31.813 ( -0.900 -1.559 0.541) 1.880 36.568 ( -0.210 -0.364 -0.182) 0.458 36.873 ( 8.245 14.281 -1.389) 16.549 38.218 ( -4.632 -8.023 -3.249) 9.818 38.392 ( 0.550 0.952 -4.258) 4.397 ======================= Grid point 339 (54/56) ======================= q-point: ( 0.29 0.14 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -1.887 5.092 -14.353) 15.346 1.622 ( -0.683 1.261 -3.207) 3.513 1.988 ( -10.422 -2.295 -7.986) 13.329 2.165 ( 3.922 -11.947 0.928) 12.608 2.492 ( 2.010 3.833 -9.762) 10.678 2.726 ( 4.764 -2.174 -1.031) 5.337 2.985 ( -2.660 -2.683 -0.284) 3.789 3.027 ( -1.645 -3.290 -0.009) 3.678 3.482 ( 0.477 4.078 5.089) 6.539 3.709 ( 2.908 4.932 -2.239) 6.148 3.866 ( -0.410 -3.020 -0.184) 3.053 3.950 ( -3.546 -0.008 0.885) 3.655 4.017 ( -0.754 -3.191 0.070) 3.280 4.085 ( -4.208 4.061 -3.741) 6.943 4.225 ( 10.344 3.357 2.290) 11.114 4.333 ( -2.387 0.426 -2.251) 3.308 4.382 ( 0.203 -1.860 -1.898) 2.665 4.820 ( -3.475 -10.404 1.160) 11.030 5.246 ( 2.840 8.479 -0.784) 8.976 5.325 ( 2.931 5.677 -0.305) 6.396 5.929 ( -0.673 -0.712 4.664) 4.765 5.978 ( 2.229 11.602 0.501) 11.825 6.147 ( 10.635 5.903 0.119) 12.163 6.618 ( -0.548 0.512 4.640) 4.700 6.684 ( 1.014 -0.601 4.325) 4.483 7.492 ( -11.867 -14.044 0.244) 18.388 7.913 ( 4.544 1.439 0.029) 4.767 8.354 ( 7.635 12.559 0.280) 14.700 8.613 ( -1.537 -4.059 0.603) 4.382 8.876 ( -2.923 0.810 9.261) 9.745 8.975 ( 1.707 2.210 1.652) 3.245 9.056 ( 1.438 -1.826 8.507) 8.819 10.383 ( 2.216 3.782 5.120) 6.740 10.596 ( -0.623 -0.630 8.315) 8.362 10.808 ( -4.202 -1.930 4.758) 6.635 10.894 ( 0.465 -3.635 4.117) 5.512 10.997 ( 0.934 0.561 0.377) 1.153 11.058 ( -0.309 0.840 1.812) 2.021 11.647 ( -1.579 -1.411 2.165) 3.028 11.678 ( -0.751 -1.512 3.271) 3.681 11.895 ( 0.267 0.343 2.439) 2.477 12.501 ( -1.157 -1.021 -1.037) 1.859 17.385 ( -8.593 -5.127 -1.162) 10.073 17.740 ( -12.569 -5.030 -0.999) 13.575 18.004 ( 6.365 -19.088 -0.546) 20.129 18.410 ( 0.119 -0.176 0.076) 0.226 19.248 ( -5.044 14.451 0.590) 15.317 19.412 ( 7.355 3.329 1.925) 8.300 19.805 ( 8.583 6.505 -0.241) 10.773 20.577 ( 0.462 0.587 1.247) 1.454 20.621 ( -0.572 -0.732 1.181) 1.503 25.349 ( -8.653 -12.114 12.771) 19.615 26.779 ( 2.625 5.613 9.875) 11.658 27.009 ( 1.490 0.180 7.451) 7.601 31.381 ( 1.398 4.487 0.278) 4.708 31.767 ( -1.142 -4.060 0.761) 4.285 36.561 ( 0.055 -0.657 -0.025) 0.660 37.171 ( 9.927 14.678 -1.925) 17.824 38.033 ( -6.705 -10.273 -3.415) 12.734 38.408 ( 0.262 0.961 -5.191) 5.285 ======================= Grid point 340 (55/56) ======================= q-point: ( 0.43 0.14 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -4.658 8.068 -16.120) 18.619 1.595 ( -1.432 2.481 7.051) 7.611 1.908 ( -1.300 2.252 -18.521) 18.703 2.138 ( 5.925 -10.263 1.057) 11.897 2.552 ( -0.208 0.360 -8.104) 8.114 2.731 ( 1.090 -1.887 0.859) 2.342 2.950 ( 2.736 -4.739 -1.529) 5.681 2.978 ( 2.009 -3.479 -0.446) 4.042 3.509 ( -2.457 4.255 6.435) 8.097 3.765 ( 1.030 -1.784 -7.342) 7.626 3.833 ( 0.706 -1.223 0.837) 1.642 3.942 ( -2.219 3.843 5.955) 7.427 3.988 ( 0.271 -0.470 -0.720) 0.902 4.072 ( -3.874 6.710 -5.483) 9.492 4.312 ( -0.955 1.654 -2.303) 2.992 4.338 ( 0.758 -1.313 3.270) 3.604 4.410 ( 0.581 -1.006 0.294) 1.198 4.689 ( 5.853 -10.138 -2.105) 11.894 5.312 ( -4.087 7.079 -0.415) 8.184 5.384 ( -1.087 1.882 -0.301) 2.194 5.919 ( 0.046 -0.080 4.560) 4.561 6.053 ( -4.235 7.335 0.677) 8.497 6.308 ( 0.317 -0.549 0.020) 0.634 6.616 ( -0.520 0.900 4.622) 4.737 6.689 ( 0.890 -1.541 4.177) 4.540 7.287 ( 2.516 -4.359 0.468) 5.055 7.962 ( 1.829 -3.169 0.019) 3.659 8.498 ( -1.825 3.161 0.505) 3.685 8.567 ( -0.798 1.382 0.137) 1.601 8.854 ( -1.831 3.172 9.891) 10.547 8.995 ( 0.356 -0.616 0.585) 0.921 9.057 ( 1.978 -3.426 9.816) 10.583 10.421 ( -1.041 1.802 5.237) 5.635 10.588 ( -0.189 0.327 9.015) 9.022 10.760 ( -0.619 1.071 6.123) 6.246 10.883 ( 1.937 -3.355 2.333) 4.522 11.016 ( -0.344 0.596 -1.056) 1.261 11.053 ( -0.223 0.386 2.444) 2.485 11.626 ( -0.110 0.191 2.331) 2.342 11.664 ( 0.518 -0.897 3.424) 3.578 11.899 ( -0.047 0.082 2.417) 2.418 12.485 ( -0.057 0.099 -1.136) 1.141 17.290 ( -2.659 4.605 -1.068) 5.424 17.607 ( 0.514 -0.890 -1.164) 1.553 17.964 ( 10.199 -17.665 -0.465) 20.403 18.410 ( 0.171 -0.297 0.062) 0.349 19.276 ( -7.558 13.090 0.394) 15.120 19.488 ( -0.494 0.856 2.284) 2.489 19.909 ( 0.785 -1.359 -0.371) 1.613 20.586 ( -0.165 0.286 1.216) 1.260 20.610 ( 0.189 -0.327 1.167) 1.227 25.217 ( 2.208 -3.825 13.382) 14.092 26.833 ( -2.121 3.674 9.525) 10.427 27.016 ( 1.144 -1.981 7.789) 8.118 31.423 ( -2.644 4.580 0.333) 5.299 31.729 ( 2.529 -4.380 0.816) 5.123 36.558 ( 0.394 -0.683 0.040) 0.789 37.361 ( -4.684 8.113 -1.892) 9.557 37.892 ( 3.885 -6.729 -3.718) 8.614 38.415 ( -0.394 0.682 -5.598) 5.653 ======================= Grid point 347 (56/56) ======================= q-point: ( 0.29 0.29 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 3.879 6.719 -9.525) 12.285 1.621 ( -1.190 -2.061 -2.495) 3.448 1.975 ( -1.945 -3.369 -10.058) 10.784 1.978 ( -1.158 -2.006 -4.192) 4.789 2.551 ( 1.226 2.123 -7.663) 8.045 2.701 ( -0.304 -0.527 0.636) 0.880 2.915 ( -2.063 -3.573 -1.284) 4.321 2.929 ( -2.372 -4.109 -1.204) 4.895 3.541 ( 0.496 0.860 9.947) 9.997 3.752 ( 0.657 1.137 -10.556) 10.637 3.814 ( -1.115 -1.931 -0.581) 2.305 3.971 ( 0.768 1.331 1.243) 1.976 3.987 ( -0.286 -0.495 3.554) 3.599 4.239 ( 3.760 6.512 1.369) 7.643 4.272 ( 2.438 4.222 3.548) 6.030 4.346 ( -0.655 -1.135 -1.026) 1.665 4.357 ( 1.618 2.802 -5.756) 6.603 4.582 ( -7.651 -13.252 -2.134) 15.451 5.386 ( 2.723 4.716 -0.348) 5.456 5.404 ( 1.278 2.213 -0.208) 2.564 5.919 ( -0.194 -0.335 4.566) 4.582 6.180 ( 4.091 7.086 0.354) 8.189 6.250 ( 2.617 4.533 0.352) 5.246 6.632 ( 0.531 0.919 4.413) 4.539 6.664 ( -0.698 -1.209 4.264) 4.487 7.246 ( -5.499 -9.525 0.621) 11.016 7.920 ( -0.151 -0.262 0.018) 0.303 8.544 ( 3.420 5.924 0.202) 6.844 8.572 ( -0.139 -0.242 0.508) 0.579 8.912 ( 1.481 2.564 9.328) 9.787 8.979 ( -0.480 -0.831 3.830) 3.949 9.004 ( -1.837 -3.182 7.136) 8.026 10.442 ( 1.096 1.898 5.298) 5.734 10.593 ( 0.133 0.230 7.625) 7.630 10.789 ( -0.114 -0.197 5.512) 5.517 10.830 ( -1.391 -2.409 6.588) 7.151 11.022 ( 1.001 1.733 -0.867) 2.181 11.056 ( -0.538 -0.932 -0.192) 1.093 11.632 ( -0.031 -0.053 2.700) 2.701 11.650 ( -0.701 -1.214 3.238) 3.528 11.899 ( 0.077 0.133 2.392) 2.397 12.487 ( -0.225 -0.390 -1.201) 1.282 17.373 ( 1.786 3.093 -1.033) 3.718 17.664 ( -3.285 -5.689 -0.896) 6.630 17.678 ( -5.625 -9.742 -0.959) 11.290 18.407 ( -0.070 -0.122 0.113) 0.181 19.458 ( 2.086 3.613 1.470) 4.423 19.466 ( 2.658 4.604 1.733) 5.591 19.881 ( 1.050 1.819 -0.774) 2.239 20.589 ( 0.400 0.693 1.202) 1.444 20.606 ( -0.437 -0.757 1.174) 1.463 25.177 ( -2.986 -5.171 13.550) 14.808 26.884 ( 2.833 4.906 9.144) 10.756 26.982 ( -1.546 -2.679 8.137) 8.705 31.492 ( 3.798 6.578 0.462) 7.610 31.662 ( -3.676 -6.367 0.712) 7.386 36.550 ( -0.204 -0.353 0.176) 0.444 37.463 ( 8.728 15.118 -2.446) 17.627 37.804 ( -7.584 -13.135 -3.073) 15.476 38.423 ( 0.266 0.461 -5.951) 5.974 =================== 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 3/38220 10.0 135.853 135.853 121.654 0.000 -0.000 -0.000 3/38220 20.0 26.671 26.671 56.311 0.000 0.000 -0.000 3/38220 30.0 10.438 10.438 32.126 0.000 0.000 -0.000 3/38220 40.0 5.788 5.788 21.621 -0.000 0.000 -0.000 3/38220 50.0 3.896 3.896 16.269 -0.000 0.000 -0.000 3/38220 60.0 2.939 2.939 13.161 -0.000 0.000 -0.000 3/38220 70.0 2.378 2.378 11.170 -0.000 0.000 -0.000 3/38220 80.0 2.014 2.014 9.797 -0.000 0.000 -0.000 3/38220 90.0 1.759 1.759 8.795 -0.000 0.000 -0.000 3/38220 100.0 1.569 1.569 8.029 -0.000 0.000 -0.000 3/38220 110.0 1.423 1.423 7.420 -0.000 0.000 -0.000 3/38220 120.0 1.307 1.307 6.922 -0.000 0.000 -0.000 3/38220 130.0 1.211 1.211 6.503 -0.000 0.000 -0.000 3/38220 140.0 1.132 1.132 6.145 -0.000 0.000 -0.000 3/38220 150.0 1.065 1.065 5.832 -0.000 0.000 -0.000 3/38220 160.0 1.007 1.007 5.557 -0.000 0.000 -0.000 3/38220 170.0 0.956 0.956 5.311 -0.000 0.000 -0.000 3/38220 180.0 0.912 0.912 5.089 -0.000 0.000 -0.000 3/38220 190.0 0.873 0.873 4.889 -0.000 0.000 -0.000 3/38220 200.0 0.837 0.837 4.705 -0.000 0.000 -0.000 3/38220 210.0 0.806 0.806 4.537 -0.000 0.000 -0.000 3/38220 220.0 0.777 0.777 4.381 -0.000 0.000 -0.000 3/38220 230.0 0.750 0.750 4.237 -0.000 0.000 -0.000 3/38220 240.0 0.726 0.726 4.103 -0.000 0.000 -0.000 3/38220 250.0 0.704 0.704 3.978 -0.000 0.000 -0.000 3/38220 260.0 0.683 0.683 3.860 -0.000 0.000 -0.000 3/38220 270.0 0.663 0.663 3.750 -0.000 0.000 -0.000 3/38220 280.0 0.645 0.645 3.646 -0.000 0.000 -0.000 3/38220 290.0 0.628 0.628 3.548 -0.000 0.000 -0.000 3/38220 300.0 0.612 0.612 3.455 -0.000 0.000 -0.000 3/38220 310.0 0.597 0.597 3.367 -0.000 0.000 -0.000 3/38220 320.0 0.582 0.582 3.284 -0.000 0.000 -0.000 3/38220 330.0 0.569 0.569 3.205 -0.000 0.000 -0.000 3/38220 340.0 0.556 0.556 3.129 -0.000 0.000 -0.000 3/38220 350.0 0.544 0.544 3.057 -0.000 0.000 -0.000 3/38220 360.0 0.532 0.532 2.989 -0.000 0.000 -0.000 3/38220 370.0 0.521 0.521 2.923 -0.000 0.000 -0.000 3/38220 380.0 0.510 0.510 2.860 -0.000 0.000 -0.000 3/38220 390.0 0.500 0.500 2.800 -0.000 0.000 -0.000 3/38220 400.0 0.490 0.490 2.742 -0.000 0.000 -0.000 3/38220 410.0 0.480 0.480 2.687 -0.000 0.000 -0.000 3/38220 420.0 0.471 0.471 2.634 -0.000 0.000 -0.000 3/38220 430.0 0.462 0.462 2.582 -0.000 0.000 -0.000 3/38220 440.0 0.454 0.454 2.533 -0.000 0.000 -0.000 3/38220 450.0 0.446 0.446 2.486 -0.000 0.000 -0.000 3/38220 460.0 0.438 0.438 2.440 -0.000 0.000 -0.000 3/38220 470.0 0.430 0.430 2.396 -0.000 0.000 -0.000 3/38220 480.0 0.423 0.423 2.354 -0.000 0.000 -0.000 3/38220 490.0 0.416 0.416 2.313 -0.000 0.000 -0.000 3/38220 500.0 0.409 0.409 2.273 -0.000 0.000 -0.000 3/38220 510.0 0.403 0.403 2.234 -0.000 0.000 -0.000 3/38220 520.0 0.396 0.396 2.197 -0.000 0.000 -0.000 3/38220 530.0 0.390 0.390 2.161 -0.000 0.000 -0.000 3/38220 540.0 0.384 0.384 2.127 -0.000 0.000 -0.000 3/38220 550.0 0.378 0.378 2.093 -0.000 0.000 -0.000 3/38220 560.0 0.372 0.372 2.060 -0.000 0.000 -0.000 3/38220 570.0 0.367 0.367 2.029 -0.000 0.000 -0.000 3/38220 580.0 0.362 0.362 1.998 -0.000 0.000 -0.000 3/38220 590.0 0.356 0.356 1.968 -0.000 0.000 -0.000 3/38220 600.0 0.351 0.351 1.939 -0.000 0.000 -0.000 3/38220 610.0 0.346 0.346 1.911 -0.000 0.000 -0.000 3/38220 620.0 0.342 0.342 1.883 -0.000 0.000 -0.000 3/38220 630.0 0.337 0.337 1.857 -0.000 0.000 -0.000 3/38220 640.0 0.333 0.333 1.831 -0.000 0.000 -0.000 3/38220 650.0 0.328 0.328 1.806 -0.000 0.000 -0.000 3/38220 660.0 0.324 0.324 1.781 -0.000 0.000 -0.000 3/38220 670.0 0.320 0.320 1.757 -0.000 0.000 -0.000 3/38220 680.0 0.316 0.316 1.734 -0.000 0.000 -0.000 3/38220 690.0 0.312 0.312 1.711 -0.000 0.000 -0.000 3/38220 700.0 0.308 0.308 1.689 -0.000 0.000 -0.000 3/38220 710.0 0.304 0.304 1.668 -0.000 0.000 -0.000 3/38220 720.0 0.300 0.300 1.647 -0.000 0.000 -0.000 3/38220 730.0 0.297 0.297 1.626 -0.000 0.000 -0.000 3/38220 740.0 0.293 0.293 1.606 -0.000 0.000 -0.000 3/38220 750.0 0.290 0.290 1.586 -0.000 0.000 -0.000 3/38220 760.0 0.286 0.286 1.567 -0.000 0.000 -0.000 3/38220 770.0 0.283 0.283 1.549 -0.000 0.000 -0.000 3/38220 780.0 0.280 0.280 1.531 -0.000 0.000 -0.000 3/38220 790.0 0.276 0.276 1.513 -0.000 0.000 -0.000 3/38220 800.0 0.273 0.273 1.495 -0.000 0.000 -0.000 3/38220 810.0 0.270 0.270 1.478 -0.000 0.000 -0.000 3/38220 820.0 0.267 0.267 1.462 -0.000 0.000 -0.000 3/38220 830.0 0.264 0.264 1.445 -0.000 0.000 -0.000 3/38220 840.0 0.262 0.262 1.429 -0.000 0.000 -0.000 3/38220 850.0 0.259 0.259 1.414 -0.000 0.000 -0.000 3/38220 860.0 0.256 0.256 1.399 -0.000 0.000 -0.000 3/38220 870.0 0.253 0.253 1.384 -0.000 0.000 -0.000 3/38220 880.0 0.251 0.251 1.369 -0.000 0.000 -0.000 3/38220 890.0 0.248 0.248 1.355 -0.000 0.000 -0.000 3/38220 900.0 0.246 0.246 1.341 -0.000 0.000 -0.000 3/38220 910.0 0.243 0.243 1.327 -0.000 0.000 -0.000 3/38220 920.0 0.241 0.241 1.313 -0.000 0.000 -0.000 3/38220 930.0 0.239 0.239 1.300 -0.000 0.000 -0.000 3/38220 940.0 0.236 0.236 1.287 -0.000 0.000 -0.000 3/38220 950.0 0.234 0.234 1.275 -0.000 0.000 -0.000 3/38220 960.0 0.232 0.232 1.262 -0.000 0.000 -0.000 3/38220 970.0 0.230 0.230 1.250 -0.000 0.000 -0.000 3/38220 980.0 0.227 0.227 1.238 -0.000 0.000 -0.000 3/38220 990.0 0.225 0.225 1.226 -0.000 0.000 -0.000 3/38220 1000.0 0.223 0.223 1.215 -0.000 0.000 -0.000 3/38220 Thermal conductivity related properties were written into "kappa-m7713.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:38:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|