----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:54:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.023367050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345173270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.866242160000000 Atomic positions (fractional): *1 O 0.29613522546486 0.55386759126250 0.20047174411389 15.999 2 O 0.20386477453514 0.44613240873750 0.70047174411389 15.999 3 O 0.79613522546486 0.94613240873750 0.29952825588611 15.999 4 O 0.70386477453514 0.05386759126250 0.79952825588611 15.999 5 O 0.70386477453514 0.44613240873750 0.79952825588611 15.999 6 O 0.79613522546486 0.55386759126250 0.29952825588611 15.999 7 O 0.20386477453514 0.05386759126250 0.70047174411389 15.999 8 O 0.29613522546486 0.94613240873750 0.20047174411389 15.999 *9 O 0.04004627906048 0.25000000000000 0.10208607341307 15.999 10 O 0.45995372093952 0.75000000000000 0.60208607341307 15.999 11 O 0.54004627906048 0.25000000000000 0.39791392658693 15.999 12 O 0.95995372093952 0.75000000000000 0.89791392658693 15.999 *13 Sr 0.44831890311401 0.25000000000000 0.98584050120955 87.620 14 Sr 0.05168109688599 0.75000000000000 0.48584050120955 87.620 15 Sr 0.94831890311401 0.25000000000000 0.51415949879045 87.620 16 Sr 0.55168109688599 0.75000000000000 0.01415949879045 87.620 *17 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 18 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 19 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 20 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.023367050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345173270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.866242160000000 Atomic positions (fractional): *1 O 0.29613522546486 0.55386759126250 0.20047174411389 15.999 > 1 2 O 0.20386477453514 0.44613240873750 0.70047174411389 15.999 > 2 3 O 0.79613522546486 0.94613240873750 0.29952825588611 15.999 > 3 4 O 0.70386477453514 0.05386759126250 0.79952825588611 15.999 > 4 5 O 0.70386477453514 0.44613240873750 0.79952825588611 15.999 > 5 6 O 0.79613522546486 0.55386759126250 0.29952825588611 15.999 > 6 7 O 0.20386477453514 0.05386759126250 0.70047174411389 15.999 > 7 8 O 0.29613522546486 0.94613240873750 0.20047174411389 15.999 > 8 *9 O 0.04004627906048 0.25000000000000 0.10208607341307 15.999 > 9 10 O 0.45995372093952 0.75000000000000 0.60208607341307 15.999 > 10 11 O 0.54004627906048 0.25000000000000 0.39791392658693 15.999 > 11 12 O 0.95995372093952 0.75000000000000 0.89791392658693 15.999 > 12 *13 Sr 0.44831890311401 0.25000000000000 0.98584050120955 87.620 > 13 14 Sr 0.05168109688599 0.75000000000000 0.48584050120955 87.620 > 14 15 Sr 0.94831890311401 0.25000000000000 0.51415949879045 87.620 > 15 16 Sr 0.55168109688599 0.75000000000000 0.01415949879045 87.620 > 16 *17 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 17 18 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 18 19 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 19 20 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.046734100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345173270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.732484319999999 Atomic positions (fractional): *1 O 0.14806761273243 0.55386759126250 0.10023587205694 15.999 > 1 2 O 0.64806761273243 0.55386759126250 0.10023587205694 15.999 > 1 3 O 0.14806761273243 0.55386759126250 0.60023587205694 15.999 > 1 4 O 0.64806761273243 0.55386759126250 0.60023587205694 15.999 > 1 5 O 0.10193238726757 0.44613240873750 0.35023587205695 15.999 > 2 6 O 0.60193238726757 0.44613240873750 0.35023587205695 15.999 > 2 7 O 0.10193238726757 0.44613240873750 0.85023587205694 15.999 > 2 8 O 0.60193238726757 0.44613240873750 0.85023587205694 15.999 > 2 9 O 0.39806761273243 0.94613240873750 0.14976412794305 15.999 > 3 10 O 0.89806761273243 0.94613240873750 0.14976412794305 15.999 > 3 11 O 0.39806761273243 0.94613240873750 0.64976412794306 15.999 > 3 12 O 0.89806761273243 0.94613240873750 0.64976412794306 15.999 > 3 13 O 0.35193238726757 0.05386759126250 0.39976412794305 15.999 > 4 14 O 0.85193238726757 0.05386759126250 0.39976412794305 15.999 > 4 15 O 0.35193238726757 0.05386759126250 0.89976412794306 15.999 > 4 16 O 0.85193238726757 0.05386759126250 0.89976412794306 15.999 > 4 17 O 0.35193238726757 0.44613240873750 0.39976412794305 15.999 > 5 18 O 0.85193238726757 0.44613240873750 0.39976412794305 15.999 > 5 19 O 0.35193238726757 0.44613240873750 0.89976412794306 15.999 > 5 20 O 0.85193238726757 0.44613240873750 0.89976412794306 15.999 > 5 21 O 0.39806761273243 0.55386759126250 0.14976412794305 15.999 > 6 22 O 0.89806761273243 0.55386759126250 0.14976412794305 15.999 > 6 23 O 0.39806761273243 0.55386759126250 0.64976412794306 15.999 > 6 24 O 0.89806761273243 0.55386759126250 0.64976412794306 15.999 > 6 25 O 0.10193238726757 0.05386759126250 0.35023587205695 15.999 > 7 26 O 0.60193238726757 0.05386759126250 0.35023587205695 15.999 > 7 27 O 0.10193238726757 0.05386759126250 0.85023587205694 15.999 > 7 28 O 0.60193238726757 0.05386759126250 0.85023587205694 15.999 > 7 29 O 0.14806761273243 0.94613240873750 0.10023587205694 15.999 > 8 30 O 0.64806761273243 0.94613240873750 0.10023587205694 15.999 > 8 31 O 0.14806761273243 0.94613240873750 0.60023587205694 15.999 > 8 32 O 0.64806761273243 0.94613240873750 0.60023587205694 15.999 > 8 *33 O 0.02002313953024 0.25000000000000 0.05104303670653 15.999 > 9 34 O 0.52002313953024 0.25000000000000 0.05104303670653 15.999 > 9 35 O 0.02002313953024 0.25000000000000 0.55104303670653 15.999 > 9 36 O 0.52002313953024 0.25000000000000 0.55104303670653 15.999 > 9 37 O 0.22997686046976 0.75000000000000 0.30104303670653 15.999 > 10 38 O 0.72997686046976 0.75000000000000 0.30104303670653 15.999 > 10 39 O 0.22997686046976 0.75000000000000 0.80104303670653 15.999 > 10 40 O 0.72997686046976 0.75000000000000 0.80104303670653 15.999 > 10 41 O 0.27002313953024 0.25000000000000 0.19895696329347 15.999 > 11 42 O 0.77002313953024 0.25000000000000 0.19895696329347 15.999 > 11 43 O 0.27002313953024 0.25000000000000 0.69895696329347 15.999 > 11 44 O 0.77002313953024 0.25000000000000 0.69895696329347 15.999 > 11 45 O 0.47997686046976 0.75000000000000 0.44895696329347 15.999 > 12 46 O 0.97997686046976 0.75000000000000 0.44895696329347 15.999 > 12 47 O 0.47997686046976 0.75000000000000 0.94895696329347 15.999 > 12 48 O 0.97997686046976 0.75000000000000 0.94895696329347 15.999 > 12 *49 Sr 0.22415945155701 0.25000000000000 0.49292025060478 87.620 > 13 50 Sr 0.72415945155701 0.25000000000000 0.49292025060478 87.620 > 13 51 Sr 0.22415945155701 0.25000000000000 0.99292025060478 87.620 > 13 52 Sr 0.72415945155701 0.25000000000000 0.99292025060478 87.620 > 13 53 Sr 0.02584054844299 0.75000000000000 0.24292025060478 87.620 > 14 54 Sr 0.52584054844299 0.75000000000000 0.24292025060478 87.620 > 14 55 Sr 0.02584054844299 0.75000000000000 0.74292025060478 87.620 > 14 56 Sr 0.52584054844299 0.75000000000000 0.74292025060478 87.620 > 14 57 Sr 0.47415945155701 0.25000000000000 0.25707974939522 87.620 > 15 58 Sr 0.97415945155701 0.25000000000000 0.25707974939522 87.620 > 15 59 Sr 0.47415945155701 0.25000000000000 0.75707974939522 87.620 > 15 60 Sr 0.97415945155701 0.25000000000000 0.75707974939522 87.620 > 15 61 Sr 0.27584054844299 0.75000000000000 0.00707974939522 87.620 > 16 62 Sr 0.77584054844299 0.75000000000000 0.00707974939522 87.620 > 16 63 Sr 0.27584054844299 0.75000000000000 0.50707974939522 87.620 > 16 64 Sr 0.77584054844299 0.75000000000000 0.50707974939522 87.620 > 16 *65 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 17 66 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 17 67 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 17 68 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 17 69 Pb 0.25000000000000 0.00000000000000 0.25000000000000 207.200 > 18 70 Pb 0.75000000000000 0.00000000000000 0.25000000000000 207.200 > 18 71 Pb 0.25000000000000 0.00000000000000 0.75000000000000 207.200 > 18 72 Pb 0.75000000000000 0.00000000000000 0.75000000000000 207.200 > 18 73 Pb 0.25000000000000 0.50000000000000 0.25000000000000 207.200 > 19 74 Pb 0.75000000000000 0.50000000000000 0.25000000000000 207.200 > 19 75 Pb 0.25000000000000 0.50000000000000 0.75000000000000 207.200 > 19 76 Pb 0.75000000000000 0.50000000000000 0.75000000000000 207.200 > 19 77 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 20 78 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 20 79 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 20 80 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8946750 0.0000000 0.0000000 0.0000000 6.8131129 0.0000000 0.0000000 0.0000000 6.4123364 -------------------------- Born effective charges -------------------------- 1 O -2.7360540 -0.1758507 -0.7435884 -0.1606209 -1.8376440 0.0498869 -0.7083573 -0.0091510 -2.4650223 2 O -2.7360540 -0.1758507 0.7435884 -0.1606209 -1.8376440 -0.0498869 0.7083573 0.0091510 -2.4650223 3 O -2.7360540 0.1758507 0.7435884 0.1606209 -1.8376440 0.0498869 0.7083573 -0.0091510 -2.4650223 4 O -2.7360540 0.1758507 -0.7435884 0.1606209 -1.8376440 -0.0498869 -0.7083573 0.0091510 -2.4650223 5 O -2.7360540 -0.1758507 -0.7435884 -0.1606209 -1.8376440 0.0498869 -0.7083573 -0.0091510 -2.4650223 6 O -2.7360540 -0.1758507 0.7435884 -0.1606209 -1.8376440 -0.0498869 0.7083573 0.0091510 -2.4650223 7 O -2.7360540 0.1758507 0.7435884 0.1606209 -1.8376440 0.0498869 0.7083573 -0.0091510 -2.4650223 8 O -2.7360540 0.1758507 -0.7435884 0.1606209 -1.8376440 -0.0498869 -0.7083573 0.0091510 -2.4650223 9 O -1.7418918 0.0000000 0.2319983 0.0000000 -3.2025451 0.0000000 0.0238034 0.0000000 -2.0555632 10 O -1.7418918 0.0000000 -0.2319983 0.0000000 -3.2025451 0.0000000 -0.0238034 0.0000000 -2.0555632 11 O -1.7418918 0.0000000 -0.2319983 0.0000000 -3.2025451 0.0000000 -0.0238034 0.0000000 -2.0555632 12 O -1.7418918 0.0000000 0.2319983 0.0000000 -3.2025451 0.0000000 0.0238034 0.0000000 -2.0555632 13 Sr 2.5599398 0.0000000 -0.4222082 0.0000000 2.4117140 0.0000000 -0.1228317 0.0000000 2.5219523 14 Sr 2.5599398 0.0000000 0.4222082 0.0000000 2.4117140 0.0000000 0.1228317 0.0000000 2.5219523 15 Sr 2.5599398 0.0000000 0.4222082 0.0000000 2.4117140 0.0000000 0.1228317 0.0000000 2.5219523 16 Sr 2.5599398 0.0000000 -0.4222082 0.0000000 2.4117140 0.0000000 -0.1228317 0.0000000 2.5219523 17 Pb 4.6540600 -0.0791662 -0.7892054 0.2865850 4.4661192 1.0147044 0.6135472 -1.1070958 4.4636555 18 Pb 4.6540600 -0.0791662 0.7892054 0.2865850 4.4661192 -1.0147044 -0.6135472 1.1070958 4.4636555 19 Pb 4.6540600 0.0791662 0.7892054 -0.2865850 4.4661192 1.0147044 -0.6135472 -1.1070958 4.4636555 20 Pb 4.6540600 0.0791662 -0.7892054 -0.2865850 4.4661192 -1.0147044 0.6135472 1.1070958 4.4636555 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.718 Solver_block: 200 / 320 - Time: 0.724 Solver_block: 300 / 320 - Time: 0.724 Solver_block: 320 / 320 - Time: 0.181 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.363 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:54:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:54:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.023367050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345173270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.866242160000000 Atomic positions (fractional): 1 O 0.29613522546486 0.55386759126250 0.20047174411389 15.999 2 O 0.20386477453514 0.44613240873750 0.70047174411389 15.999 3 O 0.79613522546486 0.94613240873750 0.29952825588611 15.999 4 O 0.70386477453514 0.05386759126250 0.79952825588611 15.999 5 O 0.70386477453514 0.44613240873750 0.79952825588611 15.999 6 O 0.79613522546486 0.55386759126250 0.29952825588611 15.999 7 O 0.20386477453514 0.05386759126250 0.70047174411389 15.999 8 O 0.29613522546486 0.94613240873750 0.20047174411389 15.999 9 O 0.04004627906048 0.25000000000000 0.10208607341307 15.999 10 O 0.45995372093952 0.75000000000000 0.60208607341307 15.999 11 O 0.54004627906048 0.25000000000000 0.39791392658693 15.999 12 O 0.95995372093952 0.75000000000000 0.89791392658693 15.999 13 Sr 0.44831890311401 0.25000000000000 0.98584050120955 87.620 14 Sr 0.05168109688599 0.75000000000000 0.48584050120955 87.620 15 Sr 0.94831890311401 0.25000000000000 0.51415949879045 87.620 16 Sr 0.55168109688599 0.75000000000000 0.01415949879045 87.620 17 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 18 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 19 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 20 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.046734100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345173270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.732484319999999 Atomic positions (fractional): 1 O 0.14806761273243 0.55386759126250 0.10023587205694 15.999 > 1 2 O 0.64806761273243 0.55386759126250 0.10023587205694 15.999 > 1 3 O 0.14806761273243 0.55386759126250 0.60023587205694 15.999 > 1 4 O 0.64806761273243 0.55386759126250 0.60023587205694 15.999 > 1 5 O 0.10193238726757 0.44613240873750 0.35023587205695 15.999 > 5 6 O 0.60193238726757 0.44613240873750 0.35023587205695 15.999 > 5 7 O 0.10193238726757 0.44613240873750 0.85023587205694 15.999 > 5 8 O 0.60193238726757 0.44613240873750 0.85023587205694 15.999 > 5 9 O 0.39806761273243 0.94613240873750 0.14976412794305 15.999 > 9 10 O 0.89806761273243 0.94613240873750 0.14976412794305 15.999 > 9 11 O 0.39806761273243 0.94613240873750 0.64976412794306 15.999 > 9 12 O 0.89806761273243 0.94613240873750 0.64976412794306 15.999 > 9 13 O 0.35193238726757 0.05386759126250 0.39976412794305 15.999 > 13 14 O 0.85193238726757 0.05386759126250 0.39976412794305 15.999 > 13 15 O 0.35193238726757 0.05386759126250 0.89976412794306 15.999 > 13 16 O 0.85193238726757 0.05386759126250 0.89976412794306 15.999 > 13 17 O 0.35193238726757 0.44613240873750 0.39976412794305 15.999 > 17 18 O 0.85193238726757 0.44613240873750 0.39976412794305 15.999 > 17 19 O 0.35193238726757 0.44613240873750 0.89976412794306 15.999 > 17 20 O 0.85193238726757 0.44613240873750 0.89976412794306 15.999 > 17 21 O 0.39806761273243 0.55386759126250 0.14976412794305 15.999 > 21 22 O 0.89806761273243 0.55386759126250 0.14976412794305 15.999 > 21 23 O 0.39806761273243 0.55386759126250 0.64976412794306 15.999 > 21 24 O 0.89806761273243 0.55386759126250 0.64976412794306 15.999 > 21 25 O 0.10193238726757 0.05386759126250 0.35023587205695 15.999 > 25 26 O 0.60193238726757 0.05386759126250 0.35023587205695 15.999 > 25 27 O 0.10193238726757 0.05386759126250 0.85023587205694 15.999 > 25 28 O 0.60193238726757 0.05386759126250 0.85023587205694 15.999 > 25 29 O 0.14806761273243 0.94613240873750 0.10023587205694 15.999 > 29 30 O 0.64806761273243 0.94613240873750 0.10023587205694 15.999 > 29 31 O 0.14806761273243 0.94613240873750 0.60023587205694 15.999 > 29 32 O 0.64806761273243 0.94613240873750 0.60023587205694 15.999 > 29 33 O 0.02002313953024 0.25000000000000 0.05104303670653 15.999 > 33 34 O 0.52002313953024 0.25000000000000 0.05104303670653 15.999 > 33 35 O 0.02002313953024 0.25000000000000 0.55104303670653 15.999 > 33 36 O 0.52002313953024 0.25000000000000 0.55104303670653 15.999 > 33 37 O 0.22997686046976 0.75000000000000 0.30104303670653 15.999 > 37 38 O 0.72997686046976 0.75000000000000 0.30104303670653 15.999 > 37 39 O 0.22997686046976 0.75000000000000 0.80104303670653 15.999 > 37 40 O 0.72997686046976 0.75000000000000 0.80104303670653 15.999 > 37 41 O 0.27002313953024 0.25000000000000 0.19895696329347 15.999 > 41 42 O 0.77002313953024 0.25000000000000 0.19895696329347 15.999 > 41 43 O 0.27002313953024 0.25000000000000 0.69895696329347 15.999 > 41 44 O 0.77002313953024 0.25000000000000 0.69895696329347 15.999 > 41 45 O 0.47997686046976 0.75000000000000 0.44895696329347 15.999 > 45 46 O 0.97997686046976 0.75000000000000 0.44895696329347 15.999 > 45 47 O 0.47997686046976 0.75000000000000 0.94895696329347 15.999 > 45 48 O 0.97997686046976 0.75000000000000 0.94895696329347 15.999 > 45 49 Sr 0.22415945155701 0.25000000000000 0.49292025060478 87.620 > 49 50 Sr 0.72415945155701 0.25000000000000 0.49292025060478 87.620 > 49 51 Sr 0.22415945155701 0.25000000000000 0.99292025060478 87.620 > 49 52 Sr 0.72415945155701 0.25000000000000 0.99292025060478 87.620 > 49 53 Sr 0.02584054844299 0.75000000000000 0.24292025060478 87.620 > 53 54 Sr 0.52584054844299 0.75000000000000 0.24292025060478 87.620 > 53 55 Sr 0.02584054844299 0.75000000000000 0.74292025060478 87.620 > 53 56 Sr 0.52584054844299 0.75000000000000 0.74292025060478 87.620 > 53 57 Sr 0.47415945155701 0.25000000000000 0.25707974939522 87.620 > 57 58 Sr 0.97415945155701 0.25000000000000 0.25707974939522 87.620 > 57 59 Sr 0.47415945155701 0.25000000000000 0.75707974939522 87.620 > 57 60 Sr 0.97415945155701 0.25000000000000 0.75707974939522 87.620 > 57 61 Sr 0.27584054844299 0.75000000000000 0.00707974939522 87.620 > 61 62 Sr 0.77584054844299 0.75000000000000 0.00707974939522 87.620 > 61 63 Sr 0.27584054844299 0.75000000000000 0.50707974939522 87.620 > 61 64 Sr 0.77584054844299 0.75000000000000 0.50707974939522 87.620 > 61 65 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 65 66 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 65 67 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 65 68 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 65 69 Pb 0.25000000000000 0.00000000000000 0.25000000000000 207.200 > 69 70 Pb 0.75000000000000 0.00000000000000 0.25000000000000 207.200 > 69 71 Pb 0.25000000000000 0.00000000000000 0.75000000000000 207.200 > 69 72 Pb 0.75000000000000 0.00000000000000 0.75000000000000 207.200 > 69 73 Pb 0.25000000000000 0.50000000000000 0.25000000000000 207.200 > 73 74 Pb 0.75000000000000 0.50000000000000 0.25000000000000 207.200 > 73 75 Pb 0.25000000000000 0.50000000000000 0.75000000000000 207.200 > 73 76 Pb 0.75000000000000 0.50000000000000 0.75000000000000 207.200 > 73 77 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 77 78 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 77 79 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 77 80 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8946750 0.0000000 0.0000000 0.0000000 6.8131129 0.0000000 0.0000000 0.0000000 6.4123364 -------------------------- Born effective charges -------------------------- 1 O -2.7360540 -0.1758507 -0.7435884 -0.1606209 -1.8376440 0.0498869 -0.7083573 -0.0091510 -2.4650223 2 O -2.7360540 -0.1758507 0.7435884 -0.1606209 -1.8376440 -0.0498869 0.7083573 0.0091510 -2.4650223 3 O -2.7360540 0.1758507 0.7435884 0.1606209 -1.8376440 0.0498869 0.7083573 -0.0091510 -2.4650223 4 O -2.7360540 0.1758507 -0.7435884 0.1606209 -1.8376440 -0.0498869 -0.7083573 0.0091510 -2.4650223 5 O -2.7360540 -0.1758507 -0.7435884 -0.1606209 -1.8376440 0.0498869 -0.7083573 -0.0091510 -2.4650223 6 O -2.7360540 -0.1758507 0.7435884 -0.1606209 -1.8376440 -0.0498869 0.7083573 0.0091510 -2.4650223 7 O -2.7360540 0.1758507 0.7435884 0.1606209 -1.8376440 0.0498869 0.7083573 -0.0091510 -2.4650223 8 O -2.7360540 0.1758507 -0.7435884 0.1606209 -1.8376440 -0.0498869 -0.7083573 0.0091510 -2.4650223 9 O -1.7418918 0.0000000 0.2319983 0.0000000 -3.2025451 0.0000000 0.0238034 0.0000000 -2.0555632 10 O -1.7418918 0.0000000 -0.2319983 0.0000000 -3.2025451 0.0000000 -0.0238034 0.0000000 -2.0555632 11 O -1.7418918 0.0000000 -0.2319983 0.0000000 -3.2025451 0.0000000 -0.0238034 0.0000000 -2.0555632 12 O -1.7418918 0.0000000 0.2319983 0.0000000 -3.2025451 0.0000000 0.0238034 0.0000000 -2.0555632 13 Sr 2.5599398 0.0000000 -0.4222082 0.0000000 2.4117140 0.0000000 -0.1228317 0.0000000 2.5219523 14 Sr 2.5599398 0.0000000 0.4222082 0.0000000 2.4117140 0.0000000 0.1228317 0.0000000 2.5219523 15 Sr 2.5599398 0.0000000 0.4222082 0.0000000 2.4117140 0.0000000 0.1228317 0.0000000 2.5219523 16 Sr 2.5599398 0.0000000 -0.4222082 0.0000000 2.4117140 0.0000000 -0.1228317 0.0000000 2.5219523 17 Pb 4.6540600 -0.0791662 -0.7892054 0.2865850 4.4661192 1.0147044 0.6135472 -1.1070958 4.4636555 18 Pb 4.6540600 -0.0791662 0.7892054 0.2865850 4.4661192 -1.0147044 -0.6135472 1.1070958 4.4636555 19 Pb 4.6540600 0.0791662 0.7892054 -0.2865850 4.4661192 1.0147044 -0.6135472 -1.1070958 4.4636555 20 Pb 4.6540600 0.0791662 -0.7892054 -0.2865850 4.4661192 -1.0147044 0.6135472 1.1070958 4.4636555 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:54:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:54:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.023367050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345173270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.866242160000000 Atomic positions (fractional): 1 O 0.29613522546486 0.55386759126250 0.20047174411389 15.999 2 O 0.20386477453514 0.44613240873750 0.70047174411389 15.999 3 O 0.79613522546486 0.94613240873750 0.29952825588611 15.999 4 O 0.70386477453514 0.05386759126250 0.79952825588611 15.999 5 O 0.70386477453514 0.44613240873750 0.79952825588611 15.999 6 O 0.79613522546486 0.55386759126250 0.29952825588611 15.999 7 O 0.20386477453514 0.05386759126250 0.70047174411389 15.999 8 O 0.29613522546486 0.94613240873750 0.20047174411389 15.999 9 O 0.04004627906048 0.25000000000000 0.10208607341307 15.999 10 O 0.45995372093952 0.75000000000000 0.60208607341307 15.999 11 O 0.54004627906048 0.25000000000000 0.39791392658693 15.999 12 O 0.95995372093952 0.75000000000000 0.89791392658693 15.999 13 Sr 0.44831890311401 0.25000000000000 0.98584050120955 87.620 14 Sr 0.05168109688599 0.75000000000000 0.48584050120955 87.620 15 Sr 0.94831890311401 0.25000000000000 0.51415949879045 87.620 16 Sr 0.55168109688599 0.75000000000000 0.01415949879045 87.620 17 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 18 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 19 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 20 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.046734100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345173270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.732484319999999 Atomic positions (fractional): 1 O 0.14806761273243 0.55386759126250 0.10023587205694 15.999 > 1 2 O 0.64806761273243 0.55386759126250 0.10023587205694 15.999 > 1 3 O 0.14806761273243 0.55386759126250 0.60023587205694 15.999 > 1 4 O 0.64806761273243 0.55386759126250 0.60023587205694 15.999 > 1 5 O 0.10193238726757 0.44613240873750 0.35023587205695 15.999 > 5 6 O 0.60193238726757 0.44613240873750 0.35023587205695 15.999 > 5 7 O 0.10193238726757 0.44613240873750 0.85023587205694 15.999 > 5 8 O 0.60193238726757 0.44613240873750 0.85023587205694 15.999 > 5 9 O 0.39806761273243 0.94613240873750 0.14976412794305 15.999 > 9 10 O 0.89806761273243 0.94613240873750 0.14976412794305 15.999 > 9 11 O 0.39806761273243 0.94613240873750 0.64976412794306 15.999 > 9 12 O 0.89806761273243 0.94613240873750 0.64976412794306 15.999 > 9 13 O 0.35193238726757 0.05386759126250 0.39976412794305 15.999 > 13 14 O 0.85193238726757 0.05386759126250 0.39976412794305 15.999 > 13 15 O 0.35193238726757 0.05386759126250 0.89976412794306 15.999 > 13 16 O 0.85193238726757 0.05386759126250 0.89976412794306 15.999 > 13 17 O 0.35193238726757 0.44613240873750 0.39976412794305 15.999 > 17 18 O 0.85193238726757 0.44613240873750 0.39976412794305 15.999 > 17 19 O 0.35193238726757 0.44613240873750 0.89976412794306 15.999 > 17 20 O 0.85193238726757 0.44613240873750 0.89976412794306 15.999 > 17 21 O 0.39806761273243 0.55386759126250 0.14976412794305 15.999 > 21 22 O 0.89806761273243 0.55386759126250 0.14976412794305 15.999 > 21 23 O 0.39806761273243 0.55386759126250 0.64976412794306 15.999 > 21 24 O 0.89806761273243 0.55386759126250 0.64976412794306 15.999 > 21 25 O 0.10193238726757 0.05386759126250 0.35023587205695 15.999 > 25 26 O 0.60193238726757 0.05386759126250 0.35023587205695 15.999 > 25 27 O 0.10193238726757 0.05386759126250 0.85023587205694 15.999 > 25 28 O 0.60193238726757 0.05386759126250 0.85023587205694 15.999 > 25 29 O 0.14806761273243 0.94613240873750 0.10023587205694 15.999 > 29 30 O 0.64806761273243 0.94613240873750 0.10023587205694 15.999 > 29 31 O 0.14806761273243 0.94613240873750 0.60023587205694 15.999 > 29 32 O 0.64806761273243 0.94613240873750 0.60023587205694 15.999 > 29 33 O 0.02002313953024 0.25000000000000 0.05104303670653 15.999 > 33 34 O 0.52002313953024 0.25000000000000 0.05104303670653 15.999 > 33 35 O 0.02002313953024 0.25000000000000 0.55104303670653 15.999 > 33 36 O 0.52002313953024 0.25000000000000 0.55104303670653 15.999 > 33 37 O 0.22997686046976 0.75000000000000 0.30104303670653 15.999 > 37 38 O 0.72997686046976 0.75000000000000 0.30104303670653 15.999 > 37 39 O 0.22997686046976 0.75000000000000 0.80104303670653 15.999 > 37 40 O 0.72997686046976 0.75000000000000 0.80104303670653 15.999 > 37 41 O 0.27002313953024 0.25000000000000 0.19895696329347 15.999 > 41 42 O 0.77002313953024 0.25000000000000 0.19895696329347 15.999 > 41 43 O 0.27002313953024 0.25000000000000 0.69895696329347 15.999 > 41 44 O 0.77002313953024 0.25000000000000 0.69895696329347 15.999 > 41 45 O 0.47997686046976 0.75000000000000 0.44895696329347 15.999 > 45 46 O 0.97997686046976 0.75000000000000 0.44895696329347 15.999 > 45 47 O 0.47997686046976 0.75000000000000 0.94895696329347 15.999 > 45 48 O 0.97997686046976 0.75000000000000 0.94895696329347 15.999 > 45 49 Sr 0.22415945155701 0.25000000000000 0.49292025060478 87.620 > 49 50 Sr 0.72415945155701 0.25000000000000 0.49292025060478 87.620 > 49 51 Sr 0.22415945155701 0.25000000000000 0.99292025060478 87.620 > 49 52 Sr 0.72415945155701 0.25000000000000 0.99292025060478 87.620 > 49 53 Sr 0.02584054844299 0.75000000000000 0.24292025060478 87.620 > 53 54 Sr 0.52584054844299 0.75000000000000 0.24292025060478 87.620 > 53 55 Sr 0.02584054844299 0.75000000000000 0.74292025060478 87.620 > 53 56 Sr 0.52584054844299 0.75000000000000 0.74292025060478 87.620 > 53 57 Sr 0.47415945155701 0.25000000000000 0.25707974939522 87.620 > 57 58 Sr 0.97415945155701 0.25000000000000 0.25707974939522 87.620 > 57 59 Sr 0.47415945155701 0.25000000000000 0.75707974939522 87.620 > 57 60 Sr 0.97415945155701 0.25000000000000 0.75707974939522 87.620 > 57 61 Sr 0.27584054844299 0.75000000000000 0.00707974939522 87.620 > 61 62 Sr 0.77584054844299 0.75000000000000 0.00707974939522 87.620 > 61 63 Sr 0.27584054844299 0.75000000000000 0.50707974939522 87.620 > 61 64 Sr 0.77584054844299 0.75000000000000 0.50707974939522 87.620 > 61 65 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 65 66 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 65 67 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 65 68 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 65 69 Pb 0.25000000000000 0.00000000000000 0.25000000000000 207.200 > 69 70 Pb 0.75000000000000 0.00000000000000 0.25000000000000 207.200 > 69 71 Pb 0.25000000000000 0.00000000000000 0.75000000000000 207.200 > 69 72 Pb 0.75000000000000 0.00000000000000 0.75000000000000 207.200 > 69 73 Pb 0.25000000000000 0.50000000000000 0.25000000000000 207.200 > 73 74 Pb 0.75000000000000 0.50000000000000 0.25000000000000 207.200 > 73 75 Pb 0.25000000000000 0.50000000000000 0.75000000000000 207.200 > 73 76 Pb 0.75000000000000 0.50000000000000 0.75000000000000 207.200 > 73 77 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 77 78 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 77 79 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 77 80 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8946750 0.0000000 0.0000000 0.0000000 6.8131129 0.0000000 0.0000000 0.0000000 6.4123364 -------------------------- Born effective charges -------------------------- 1 O -2.7360540 -0.1758507 -0.7435884 -0.1606209 -1.8376440 0.0498869 -0.7083573 -0.0091510 -2.4650223 2 O -2.7360540 -0.1758507 0.7435884 -0.1606209 -1.8376440 -0.0498869 0.7083573 0.0091510 -2.4650223 3 O -2.7360540 0.1758507 0.7435884 0.1606209 -1.8376440 0.0498869 0.7083573 -0.0091510 -2.4650223 4 O -2.7360540 0.1758507 -0.7435884 0.1606209 -1.8376440 -0.0498869 -0.7083573 0.0091510 -2.4650223 5 O -2.7360540 -0.1758507 -0.7435884 -0.1606209 -1.8376440 0.0498869 -0.7083573 -0.0091510 -2.4650223 6 O -2.7360540 -0.1758507 0.7435884 -0.1606209 -1.8376440 -0.0498869 0.7083573 0.0091510 -2.4650223 7 O -2.7360540 0.1758507 0.7435884 0.1606209 -1.8376440 0.0498869 0.7083573 -0.0091510 -2.4650223 8 O -2.7360540 0.1758507 -0.7435884 0.1606209 -1.8376440 -0.0498869 -0.7083573 0.0091510 -2.4650223 9 O -1.7418918 0.0000000 0.2319983 0.0000000 -3.2025451 0.0000000 0.0238034 0.0000000 -2.0555632 10 O -1.7418918 0.0000000 -0.2319983 0.0000000 -3.2025451 0.0000000 -0.0238034 0.0000000 -2.0555632 11 O -1.7418918 0.0000000 -0.2319983 0.0000000 -3.2025451 0.0000000 -0.0238034 0.0000000 -2.0555632 12 O -1.7418918 0.0000000 0.2319983 0.0000000 -3.2025451 0.0000000 0.0238034 0.0000000 -2.0555632 13 Sr 2.5599398 0.0000000 -0.4222082 0.0000000 2.4117140 0.0000000 -0.1228317 0.0000000 2.5219523 14 Sr 2.5599398 0.0000000 0.4222082 0.0000000 2.4117140 0.0000000 0.1228317 0.0000000 2.5219523 15 Sr 2.5599398 0.0000000 0.4222082 0.0000000 2.4117140 0.0000000 0.1228317 0.0000000 2.5219523 16 Sr 2.5599398 0.0000000 -0.4222082 0.0000000 2.4117140 0.0000000 -0.1228317 0.0000000 2.5219523 17 Pb 4.6540600 -0.0791662 -0.7892054 0.2865850 4.4661192 1.0147044 0.6135472 -1.1070958 4.4636555 18 Pb 4.6540600 -0.0791662 0.7892054 0.2865850 4.4661192 -1.0147044 -0.6135472 1.1070958 4.4636555 19 Pb 4.6540600 0.0791662 0.7892054 -0.2865850 4.4661192 1.0147044 -0.6135472 -1.1070958 4.4636555 20 Pb 4.6540600 0.0791662 -0.7892054 -0.2865850 4.4661192 -1.0147044 0.6135472 1.1070958 4.4636555 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 315, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.593 ( 0.000 0.000 0.000) 0.000 8.970 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.367 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.475 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.713 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 0.000) 0.000 11.713 ( 0.000 0.000 0.000) 0.000 14.644 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 15.050 ( 0.000 0.000 0.000) 0.000 15.112 ( 0.000 0.000 0.000) 0.000 15.441 ( 0.000 0.000 0.000) 0.000 16.340 ( 0.000 0.000 0.000) 0.000 16.970 ( 0.000 0.000 0.000) 0.000 17.180 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 27.559 0.000 0.000) 27.559 0.585 ( 27.269 0.000 0.000) 27.269 1.031 ( 48.557 0.000 0.000) 48.557 1.868 ( 7.909 0.000 0.000) 7.909 2.306 ( -0.666 0.000 0.000) 0.666 2.704 ( -6.488 0.000 0.000) 6.488 2.726 ( -4.374 0.000 0.000) 4.374 2.777 ( -1.647 0.000 0.000) 1.647 2.976 ( -4.680 0.000 0.000) 4.680 3.144 ( 0.699 0.000 0.000) 0.699 3.153 ( -8.247 0.000 0.000) 8.247 3.331 ( -3.633 0.000 0.000) 3.633 3.392 ( 3.384 0.000 0.000) 3.384 3.399 ( -0.244 0.000 0.000) 0.244 3.405 ( 0.118 0.000 0.000) 0.118 3.912 ( 7.215 0.000 0.000) 7.215 3.965 ( -9.010 0.000 0.000) 9.010 4.181 ( -20.057 0.000 0.000) 20.057 4.191 ( -2.763 0.000 0.000) 2.763 4.306 ( -3.892 0.000 0.000) 3.892 4.433 ( 7.615 0.000 0.000) 7.615 4.703 ( 11.930 0.000 0.000) 11.930 4.757 ( 4.711 0.000 0.000) 4.711 4.995 ( -4.466 0.000 0.000) 4.466 5.142 ( 0.387 0.000 0.000) 0.387 5.258 ( 2.550 0.000 0.000) 2.550 5.325 ( -7.461 0.000 0.000) 7.461 5.852 ( -0.128 0.000 0.000) 0.128 6.039 ( -0.197 0.000 0.000) 0.197 6.102 ( -1.276 0.000 0.000) 1.276 6.413 ( 0.988 0.000 0.000) 0.988 6.480 ( 1.059 0.000 0.000) 1.059 7.100 ( 9.244 0.000 0.000) 9.244 8.145 ( -6.976 0.000 0.000) 6.976 8.564 ( -2.862 0.000 0.000) 2.862 8.583 ( 0.457 0.000 0.000) 0.457 8.740 ( -14.899 0.000 0.000) 14.899 8.943 ( -2.520 0.000 0.000) 2.520 9.236 ( 4.742 0.000 0.000) 4.742 9.438 ( 17.116 0.000 0.000) 17.116 9.550 ( 3.919 0.000 0.000) 3.919 10.204 ( -7.199 0.000 0.000) 7.199 10.340 ( -1.949 0.000 0.000) 1.949 10.448 ( -3.141 0.000 0.000) 3.141 10.548 ( 4.347 0.000 0.000) 4.347 10.574 ( 5.598 0.000 0.000) 5.598 10.988 ( 25.591 0.000 0.000) 25.591 11.134 ( 8.742 0.000 0.000) 8.742 11.588 ( 23.511 0.000 0.000) 23.511 11.730 ( 1.560 0.000 0.000) 1.560 12.077 ( -0.628 0.000 0.000) 0.628 14.389 ( -22.252 0.000 0.000) 22.252 14.703 ( -1.002 0.000 0.000) 1.002 15.042 ( -0.709 0.000 0.000) 0.709 15.052 ( -5.503 0.000 0.000) 5.503 15.372 ( -6.870 0.000 0.000) 6.870 16.484 ( 11.749 0.000 0.000) 11.749 16.985 ( 1.436 0.000 0.000) 1.436 17.020 ( 1.429 0.000 0.000) 1.429 17.179 ( -0.119 0.000 0.000) 0.119 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 23.739 0.000 0.000) 23.739 1.135 ( 25.561 0.000 0.000) 25.561 1.976 ( 40.452 0.000 0.000) 40.452 2.081 ( 11.800 0.000 0.000) 11.800 2.213 ( -6.574 0.000 0.000) 6.574 2.513 ( -11.041 0.000 0.000) 11.041 2.581 ( -9.474 0.000 0.000) 9.474 2.731 ( -2.571 0.000 0.000) 2.571 2.927 ( -1.840 0.000 0.000) 1.840 2.974 ( -6.052 0.000 0.000) 6.052 2.982 ( -14.273 0.000 0.000) 14.273 3.388 ( -2.377 0.000 0.000) 2.377 3.406 ( -1.046 0.000 0.000) 1.046 3.422 ( 10.641 0.000 0.000) 10.641 3.522 ( 9.725 0.000 0.000) 9.725 3.716 ( -12.071 0.000 0.000) 12.071 3.742 ( -20.005 0.000 0.000) 20.005 4.103 ( 9.859 0.000 0.000) 9.859 4.129 ( -2.776 0.000 0.000) 2.776 4.245 ( -2.716 0.000 0.000) 2.716 4.658 ( 12.741 0.000 0.000) 12.741 4.785 ( -1.858 0.000 0.000) 1.858 4.797 ( -3.166 0.000 0.000) 3.166 4.875 ( -6.855 0.000 0.000) 6.855 5.163 ( 1.846 0.000 0.000) 1.846 5.179 ( -6.134 0.000 0.000) 6.134 5.447 ( 15.243 0.000 0.000) 15.243 5.775 ( -7.312 0.000 0.000) 7.312 5.797 ( -15.485 0.000 0.000) 15.485 6.274 ( 10.327 0.000 0.000) 10.327 6.409 ( -2.078 0.000 0.000) 2.078 6.536 ( 3.898 0.000 0.000) 3.898 7.297 ( 8.801 0.000 0.000) 8.801 7.968 ( -9.430 0.000 0.000) 9.430 8.473 ( -10.374 0.000 0.000) 10.374 8.478 ( -5.130 0.000 0.000) 5.130 8.600 ( 1.240 0.000 0.000) 1.240 8.873 ( -4.026 0.000 0.000) 4.026 9.382 ( 9.094 0.000 0.000) 9.094 9.653 ( 5.543 0.000 0.000) 5.543 9.757 ( 12.117 0.000 0.000) 12.117 10.107 ( -1.498 0.000 0.000) 1.498 10.300 ( -1.789 0.000 0.000) 1.789 10.331 ( -8.114 0.000 0.000) 8.114 10.627 ( 0.436 0.000 0.000) 0.436 10.641 ( 3.930 0.000 0.000) 3.930 11.420 ( 18.565 0.000 0.000) 18.565 11.709 ( 41.852 0.000 0.000) 41.852 11.774 ( 2.550 0.000 0.000) 2.550 12.007 ( 0.472 0.000 0.000) 0.472 12.318 ( 38.002 0.000 0.000) 38.002 13.818 ( -31.103 0.000 0.000) 31.103 14.608 ( -10.782 0.000 0.000) 10.782 14.930 ( -4.070 0.000 0.000) 4.070 15.021 ( -1.373 0.000 0.000) 1.373 15.143 ( -15.513 0.000 0.000) 15.513 16.743 ( 11.878 0.000 0.000) 11.878 17.025 ( 2.167 0.000 0.000) 2.167 17.056 ( 1.870 0.000 0.000) 1.870 17.171 ( -0.756 0.000 0.000) 0.756 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 19.743 0.000 0.000) 19.743 1.629 ( 21.633 0.000 0.000) 21.633 2.140 ( 1.412 0.000 0.000) 1.412 2.244 ( -12.638 0.000 0.000) 12.638 2.272 ( -3.560 0.000 0.000) 3.560 2.407 ( 2.876 0.000 0.000) 2.876 2.517 ( 6.298 0.000 0.000) 6.298 2.646 ( -17.054 0.000 0.000) 17.054 2.676 ( -2.909 0.000 0.000) 2.909 2.831 ( -7.664 0.000 0.000) 7.664 3.146 ( 23.044 0.000 0.000) 23.044 3.241 ( -12.776 0.000 0.000) 12.776 3.256 ( -5.194 0.000 0.000) 5.194 3.527 ( -1.006 0.000 0.000) 1.006 3.571 ( -2.386 0.000 0.000) 2.386 3.682 ( 13.196 0.000 0.000) 13.196 3.763 ( 11.554 0.000 0.000) 11.554 4.086 ( -1.371 0.000 0.000) 1.371 4.174 ( -4.454 0.000 0.000) 4.454 4.193 ( -6.357 0.000 0.000) 6.357 4.670 ( -6.680 0.000 0.000) 6.680 4.721 ( -7.470 0.000 0.000) 7.470 4.752 ( 2.672 0.000 0.000) 2.672 4.926 ( 12.447 0.000 0.000) 12.447 5.062 ( -5.548 0.000 0.000) 5.548 5.223 ( 3.946 0.000 0.000) 3.946 5.475 ( -14.427 0.000 0.000) 14.427 5.574 ( -11.072 0.000 0.000) 11.072 5.794 ( 16.561 0.000 0.000) 16.561 6.312 ( -7.414 0.000 0.000) 7.414 6.473 ( 8.228 0.000 0.000) 8.228 6.606 ( 2.025 0.000 0.000) 2.025 7.456 ( 6.860 0.000 0.000) 6.860 7.773 ( -9.079 0.000 0.000) 9.079 8.322 ( -4.074 0.000 0.000) 4.074 8.370 ( -4.754 0.000 0.000) 4.754 8.637 ( 2.412 0.000 0.000) 2.412 8.784 ( -4.314 0.000 0.000) 4.314 9.604 ( 11.999 0.000 0.000) 11.999 9.763 ( 4.631 0.000 0.000) 4.631 9.874 ( 0.084 0.000 0.000) 0.084 10.123 ( -11.569 0.000 0.000) 11.569 10.171 ( 5.784 0.000 0.000) 5.784 10.272 ( -0.881 0.000 0.000) 0.881 10.630 ( 0.633 0.000 0.000) 0.633 10.689 ( 0.488 0.000 0.000) 0.488 11.833 ( 3.113 0.000 0.000) 3.113 11.887 ( 26.023 0.000 0.000) 26.023 11.966 ( -2.878 0.000 0.000) 2.878 12.636 ( 45.361 0.000 0.000) 45.361 13.147 ( -32.727 0.000 0.000) 32.727 13.202 ( 43.601 0.000 0.000) 43.601 14.212 ( -26.725 0.000 0.000) 26.725 14.712 ( -26.287 0.000 0.000) 26.287 14.909 ( 1.055 0.000 0.000) 1.055 14.986 ( -1.901 0.000 0.000) 1.901 16.951 ( 8.042 0.000 0.000) 8.042 17.068 ( 1.834 0.000 0.000) 1.834 17.088 ( 1.021 0.000 0.000) 1.021 17.143 ( -2.063 0.000 0.000) 2.063 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -16.347 0.000 0.000) 16.347 1.941 ( 16.347 0.000 0.000) 16.347 2.013 ( -15.475 0.000 0.000) 15.475 2.013 ( 15.475 0.000 0.000) 15.475 2.306 ( -13.876 0.000 0.000) 13.876 2.306 ( 13.876 0.000 0.000) 13.876 2.595 ( -4.402 0.000 0.000) 4.402 2.595 ( 4.402 0.000 0.000) 4.402 2.627 ( -11.373 0.000 0.000) 11.373 2.627 ( 11.373 0.000 0.000) 11.373 3.106 ( -1.155 0.000 0.000) 1.155 3.106 ( 1.155 0.000 0.000) 1.155 3.538 ( -0.818 0.000 0.000) 0.818 3.538 ( 0.818 0.000 0.000) 0.818 3.800 ( -27.948 0.000 0.000) 27.948 3.800 ( 27.948 0.000 0.000) 27.948 3.890 ( -2.969 0.000 0.000) 2.969 3.890 ( 2.969 0.000 0.000) 2.969 4.078 ( -2.198 0.000 0.000) 2.198 4.078 ( 2.198 0.000 0.000) 2.198 4.608 ( -1.880 0.000 0.000) 1.880 4.608 ( 1.880 0.000 0.000) 1.880 4.907 ( -8.891 0.000 0.000) 8.891 4.907 ( 8.891 0.000 0.000) 8.891 5.184 ( -11.585 0.000 0.000) 11.585 5.184 ( 11.585 0.000 0.000) 11.585 5.365 ( -7.689 0.000 0.000) 7.689 5.365 ( 7.689 0.000 0.000) 7.689 6.101 ( -12.716 0.000 0.000) 12.716 6.101 ( 12.716 0.000 0.000) 12.716 6.596 ( -3.307 0.000 0.000) 3.307 6.596 ( 3.307 0.000 0.000) 3.307 7.600 ( -7.451 0.000 0.000) 7.451 7.600 ( 7.451 0.000 0.000) 7.451 8.300 ( -1.584 0.000 0.000) 1.584 8.300 ( 1.584 0.000 0.000) 1.584 8.700 ( -3.623 0.000 0.000) 3.623 8.700 ( 3.623 0.000 0.000) 3.623 9.839 ( -2.761 0.000 0.000) 2.761 9.839 ( 2.761 0.000 0.000) 2.761 9.865 ( -12.859 0.000 0.000) 12.859 9.865 ( 12.859 0.000 0.000) 12.859 10.252 ( -1.730 0.000 0.000) 1.730 10.252 ( 1.730 0.000 0.000) 1.730 10.665 ( -2.240 0.000 0.000) 2.240 10.665 ( 2.240 0.000 0.000) 2.240 11.901 ( -3.302 0.000 0.000) 3.302 11.901 ( 3.302 0.000 0.000) 3.302 12.481 ( -30.749 0.000 0.000) 30.749 12.481 ( 30.749 0.000 0.000) 30.749 13.525 ( -38.845 0.000 0.000) 38.845 13.525 ( 38.845 0.000 0.000) 38.845 14.051 ( -37.115 0.000 0.000) 37.115 14.051 ( 37.115 0.000 0.000) 37.115 14.944 ( -2.039 0.000 0.000) 2.039 14.944 ( 2.039 0.000 0.000) 2.039 17.078 ( -4.404 0.000 0.000) 4.404 17.078 ( 4.404 0.000 0.000) 4.404 17.094 ( -0.542 0.000 0.000) 0.542 17.094 ( 0.542 0.000 0.000) 0.542 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 24.136 0.000) 24.136 0.547 ( 0.000 27.039 0.000) 27.039 0.970 ( 0.000 47.733 0.000) 47.733 1.778 ( 0.000 -1.505 0.000) 1.505 2.280 ( 0.000 -11.973 0.000) 11.973 2.581 ( 0.000 -7.272 0.000) 7.272 2.865 ( 0.000 6.788 0.000) 6.788 2.909 ( 0.000 12.945 0.000) 12.945 3.047 ( 0.000 -17.633 0.000) 17.633 3.066 ( 0.000 -1.853 0.000) 1.853 3.375 ( 0.000 6.428 0.000) 6.428 3.382 ( 0.000 -0.992 0.000) 0.992 3.466 ( 0.000 8.040 0.000) 8.040 3.469 ( 0.000 3.954 0.000) 3.954 3.791 ( 0.000 -4.127 0.000) 4.127 3.821 ( 0.000 15.802 0.000) 15.802 3.934 ( 0.000 -11.836 0.000) 11.836 4.152 ( 0.000 -5.719 0.000) 5.719 4.175 ( 0.000 -9.792 0.000) 9.792 4.310 ( 0.000 -5.206 0.000) 5.206 4.482 ( 0.000 0.413 0.000) 0.413 4.516 ( 0.000 -11.283 0.000) 11.283 4.986 ( 0.000 -15.276 0.000) 15.276 5.060 ( 0.000 -7.686 0.000) 7.686 5.250 ( 0.000 15.237 0.000) 15.237 5.560 ( 0.000 7.539 0.000) 7.539 5.801 ( 0.000 -1.237 0.000) 1.237 5.819 ( 0.000 4.062 0.000) 4.062 6.034 ( 0.000 6.008 0.000) 6.008 6.126 ( 0.000 -5.054 0.000) 5.054 6.241 ( 0.000 -2.778 0.000) 2.778 6.417 ( 0.000 1.152 0.000) 1.152 7.002 ( 0.000 1.592 0.000) 1.592 7.108 ( 0.000 -0.233 0.000) 0.233 8.231 ( 0.000 0.861 0.000) 0.861 8.557 ( 0.000 -3.414 0.000) 3.414 8.641 ( 0.000 5.785 0.000) 5.785 9.023 ( 0.000 5.139 0.000) 5.139 9.037 ( 0.000 -1.210 0.000) 1.210 9.500 ( 0.000 -0.911 0.000) 0.911 10.255 ( 0.000 -1.047 0.000) 1.047 10.348 ( 0.000 -1.762 0.000) 1.762 10.375 ( 0.000 -2.463 0.000) 2.463 10.401 ( 0.000 -6.233 0.000) 6.233 10.640 ( 0.000 13.800 0.000) 13.800 10.764 ( 0.000 4.722 0.000) 4.722 11.018 ( 0.000 3.783 0.000) 3.783 11.270 ( 0.000 21.188 0.000) 21.188 11.314 ( 0.000 -2.623 0.000) 2.623 11.608 ( 0.000 -3.939 0.000) 3.939 11.656 ( 0.000 -5.638 0.000) 5.638 14.439 ( 0.000 -27.962 0.000) 27.962 14.653 ( 0.000 0.812 0.000) 0.812 14.758 ( 0.000 -0.787 0.000) 0.787 15.063 ( 0.000 -1.214 0.000) 1.214 15.398 ( 0.000 -4.035 0.000) 4.035 16.372 ( 0.000 3.142 0.000) 3.142 16.768 ( 0.000 -2.855 0.000) 2.855 17.091 ( 0.000 9.838 0.000) 9.838 17.222 ( 0.000 3.855 0.000) 3.855 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 18.658 13.247 0.000) 22.883 0.780 ( 18.343 17.664 0.000) 25.465 1.407 ( 34.905 31.707 0.000) 47.156 1.842 ( 5.757 -3.280 0.000) 6.626 2.220 ( -3.636 -8.881 0.000) 9.597 2.540 ( -5.344 -9.465 0.000) 10.870 2.752 ( -7.029 4.191 0.000) 8.183 2.905 ( -2.829 8.119 0.000) 8.598 3.020 ( -2.775 -18.892 0.000) 19.095 3.114 ( 0.980 0.643 0.000) 1.172 3.171 ( -12.606 6.872 0.000) 14.357 3.311 ( -4.453 -0.223 0.000) 4.459 3.488 ( 1.731 4.875 0.000) 5.173 3.507 ( 4.061 8.100 0.000) 9.061 3.537 ( -14.482 17.460 0.000) 22.684 3.870 ( 7.178 -4.119 0.000) 8.276 3.968 ( -9.494 3.577 0.000) 10.146 3.976 ( -15.739 -13.578 0.000) 20.787 4.178 ( 9.290 -13.223 0.000) 16.160 4.262 ( -1.748 3.948 0.000) 4.318 4.602 ( 4.959 1.723 0.000) 5.249 4.630 ( 5.938 -10.719 0.000) 12.254 4.885 ( -10.767 2.624 0.000) 11.082 5.063 ( 0.329 -6.359 0.000) 6.367 5.077 ( -4.303 7.015 0.000) 8.229 5.188 ( -5.575 13.436 0.000) 14.546 5.559 ( -5.525 10.821 0.000) 12.150 5.863 ( 1.468 1.894 0.000) 2.396 6.014 ( -9.144 -4.160 0.000) 10.046 6.122 ( 6.439 3.788 0.000) 7.471 6.423 ( 2.845 -5.296 0.000) 6.012 6.430 ( 0.847 1.010 0.000) 1.318 7.117 ( 9.656 1.785 0.000) 9.819 7.946 ( 32.217 -37.072 0.000) 49.114 8.158 ( -6.380 1.507 0.000) 6.556 8.525 ( -3.085 -3.682 0.000) 4.803 8.650 ( 0.904 6.032 0.000) 6.099 9.003 ( -1.903 5.767 0.000) 6.073 9.066 ( 4.052 -2.262 0.000) 4.640 9.541 ( 3.672 -1.166 0.000) 3.853 10.028 ( -11.971 8.991 0.000) 14.972 10.311 ( -2.574 -2.733 0.000) 3.755 10.413 ( -0.780 -5.224 0.000) 5.282 10.453 ( -5.445 9.537 0.000) 10.982 10.578 ( -4.923 13.086 0.000) 13.981 10.649 ( 1.354 12.424 0.000) 12.497 11.050 ( 24.678 5.676 0.000) 25.323 11.353 ( 8.019 20.210 0.000) 21.743 11.541 ( 22.833 -4.563 0.000) 23.284 11.678 ( 2.105 -4.762 0.000) 5.206 11.894 ( 8.166 -13.490 0.000) 15.769 14.405 ( -21.534 1.582 0.000) 21.592 14.455 ( 1.450 -26.982 0.000) 27.020 14.805 ( 1.229 -13.310 0.000) 13.366 14.988 ( -7.370 -1.625 0.000) 7.547 15.328 ( -6.886 -4.062 0.000) 7.995 16.518 ( 11.940 3.348 0.000) 12.400 16.959 ( 9.623 -4.447 0.000) 10.601 17.104 ( 1.145 9.585 0.000) 9.653 17.223 ( -0.021 3.963 0.000) 3.963 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 18.269 1.967 0.000) 18.374 1.203 ( 21.208 7.313 0.000) 22.434 1.998 ( 8.918 -8.194 0.000) 12.111 2.110 ( -0.170 -3.029 0.000) 3.034 2.197 ( 29.472 13.153 0.000) 32.274 2.376 ( -8.500 -8.704 0.000) 12.166 2.590 ( -9.014 3.403 0.000) 9.635 2.816 ( -5.067 3.793 0.000) 6.329 2.913 ( -5.942 -15.777 0.000) 16.859 2.943 ( -15.012 -3.607 0.000) 15.439 2.974 ( -7.816 0.824 0.000) 7.860 3.297 ( -1.153 -6.871 0.000) 6.968 3.326 ( -6.150 4.856 0.000) 7.836 3.517 ( -1.218 6.823 0.000) 6.931 3.632 ( 6.425 9.749 0.000) 11.676 3.711 ( -3.681 0.116 0.000) 3.683 3.737 ( -7.801 7.748 0.000) 10.995 4.059 ( 9.643 -3.726 0.000) 10.338 4.241 ( 0.029 8.713 0.000) 8.713 4.406 ( 9.483 -4.109 0.000) 10.335 4.622 ( 1.151 6.312 0.000) 6.416 4.704 ( 1.260 -7.016 0.000) 7.128 4.736 ( -5.882 -7.350 0.000) 9.414 4.999 ( -9.361 9.102 0.000) 13.056 5.100 ( -0.688 -1.241 0.000) 1.419 5.111 ( 1.474 -4.197 0.000) 4.449 5.564 ( 5.497 4.894 0.000) 7.360 5.739 ( -16.128 -5.362 0.000) 16.996 5.828 ( -3.135 6.816 0.000) 7.502 6.296 ( 9.178 2.152 0.000) 9.426 6.428 ( -1.516 1.448 0.000) 2.097 6.498 ( 4.491 -3.680 0.000) 5.806 7.324 ( 9.290 2.802 0.000) 9.704 7.995 ( -8.815 2.696 0.000) 9.218 8.234 ( 1.976 -19.059 0.000) 19.161 8.435 ( -5.329 -4.059 0.000) 6.699 8.681 ( 2.037 6.965 0.000) 7.257 8.949 ( -3.179 7.235 0.000) 7.903 9.240 ( 11.754 -7.142 0.000) 13.754 9.636 ( 5.018 -1.840 0.000) 5.345 9.896 ( -1.880 6.012 0.000) 6.299 10.252 ( -3.261 -4.340 0.000) 5.428 10.328 ( -3.076 16.079 0.000) 16.370 10.334 ( -6.278 -1.470 0.000) 6.448 10.605 ( 1.889 0.897 0.000) 2.092 10.702 ( 3.138 8.374 0.000) 8.942 11.585 ( 12.492 10.496 0.000) 16.316 11.756 ( 41.290 4.447 0.000) 41.528 11.757 ( 7.009 3.240 0.000) 7.722 11.899 ( 1.820 -10.234 0.000) 10.394 12.279 ( 38.278 -3.860 0.000) 38.473 13.858 ( -29.461 3.983 0.000) 29.729 14.488 ( 0.600 -21.061 0.000) 21.069 14.756 ( -14.379 -5.915 0.000) 15.549 14.796 ( -1.697 -18.282 0.000) 18.360 15.100 ( -15.495 -4.092 0.000) 16.026 16.781 ( 12.088 3.749 0.000) 12.656 17.095 ( 4.401 2.071 0.000) 4.864 17.134 ( 1.633 8.839 0.000) 8.989 17.218 ( -0.597 4.270 0.000) 4.312 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 14.026 -8.604 0.000) 16.455 1.628 ( 18.741 -1.520 0.000) 18.802 1.962 ( -8.093 -9.367 0.000) 12.379 2.197 ( 9.290 -15.449 0.000) 18.027 2.277 ( -0.319 -0.283 0.000) 0.426 2.372 ( -11.381 7.011 0.000) 13.368 2.517 ( -3.305 -6.164 0.000) 6.994 2.601 ( -15.671 -3.482 0.000) 16.053 2.704 ( -6.144 0.155 0.000) 6.146 2.774 ( -10.343 -5.017 0.000) 11.496 3.119 ( 15.681 -7.996 0.000) 17.602 3.173 ( -6.781 -12.769 0.000) 14.458 3.259 ( 8.513 7.817 0.000) 11.558 3.500 ( 0.765 12.897 0.000) 12.920 3.592 ( -1.591 12.601 0.000) 12.701 3.822 ( 9.015 5.248 0.000) 10.432 3.863 ( 10.037 7.826 0.000) 12.727 4.181 ( 0.768 2.099 0.000) 2.235 4.252 ( -2.079 10.105 0.000) 10.317 4.439 ( -5.444 15.210 0.000) 16.155 4.604 ( -3.279 -5.447 0.000) 6.358 4.717 ( 0.970 -2.564 0.000) 2.741 4.778 ( -8.559 4.748 0.000) 9.788 4.804 ( 12.258 -11.179 0.000) 16.590 5.021 ( -5.774 -2.284 0.000) 6.209 5.182 ( 4.995 -4.194 0.000) 6.522 5.393 ( -16.144 -7.404 0.000) 17.761 5.534 ( -9.046 -3.491 0.000) 9.696 5.928 ( 11.936 11.044 0.000) 16.262 6.349 ( -6.007 3.211 0.000) 6.811 6.475 ( 7.240 0.192 0.000) 7.243 6.580 ( 2.551 -2.650 0.000) 3.678 7.493 ( 7.241 3.688 0.000) 8.126 7.810 ( -8.701 3.680 0.000) 9.447 8.222 ( -0.829 -8.835 0.000) 8.874 8.322 ( -5.095 -4.476 0.000) 6.782 8.733 ( 2.921 8.502 0.000) 8.989 8.876 ( -3.681 8.671 0.000) 9.420 9.501 ( 12.596 -7.831 0.000) 14.831 9.726 ( 2.957 -3.318 0.000) 4.444 9.886 ( 0.313 1.438 0.000) 1.471 10.116 ( -9.829 -2.684 0.000) 10.188 10.247 ( -1.090 -1.378 0.000) 1.757 10.291 ( -1.419 6.422 0.000) 6.577 10.655 ( 3.144 5.159 0.000) 6.041 10.747 ( 0.621 6.822 0.000) 6.850 11.746 ( 4.346 -6.687 0.000) 7.975 11.881 ( -2.233 -8.404 0.000) 8.696 12.079 ( 22.324 16.569 0.000) 27.801 12.673 ( 44.990 3.582 0.000) 45.132 13.122 ( 22.642 -3.179 0.000) 22.864 13.264 ( -9.682 6.965 0.000) 11.927 14.239 ( -26.102 2.631 0.000) 26.234 14.612 ( 0.891 -26.524 0.000) 26.539 14.672 ( -25.226 -4.590 0.000) 25.640 14.745 ( -2.983 -21.276 0.000) 21.484 16.994 ( 8.161 4.035 0.000) 9.104 17.161 ( 2.074 5.366 0.000) 5.753 17.163 ( 0.656 7.081 0.000) 7.111 17.195 ( -1.426 5.269 0.000) 5.458 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -9.613 -17.732 0.000) 20.170 1.714 ( 9.613 -17.732 0.000) 20.170 2.062 ( -16.194 4.399 0.000) 16.781 2.062 ( 16.194 4.399 0.000) 16.781 2.307 ( -2.247 -8.106 0.000) 8.412 2.307 ( 2.247 -8.106 0.000) 8.412 2.466 ( -2.129 -6.267 0.000) 6.619 2.466 ( 2.129 -6.267 0.000) 6.619 2.604 ( -1.223 -0.561 0.000) 1.346 2.604 ( 1.223 -0.561 0.000) 1.346 3.117 ( -1.140 -8.074 0.000) 8.154 3.117 ( 1.140 -8.074 0.000) 8.154 3.514 ( -0.292 12.129 0.000) 12.133 3.514 ( 0.292 12.129 0.000) 12.133 3.835 ( -19.374 4.658 0.000) 19.926 3.835 ( 19.374 4.658 0.000) 19.926 4.012 ( -5.088 7.947 0.000) 9.436 4.012 ( 5.088 7.947 0.000) 9.436 4.283 ( -6.474 11.651 0.000) 13.329 4.283 ( 6.474 11.651 0.000) 13.329 4.612 ( -3.890 2.614 0.000) 4.687 4.612 ( 3.890 2.614 0.000) 4.687 4.869 ( -8.180 -3.756 0.000) 9.001 4.869 ( 8.180 -3.756 0.000) 9.001 5.081 ( -13.732 -9.683 0.000) 16.803 5.081 ( 13.732 -9.683 0.000) 16.803 5.329 ( -9.016 -3.344 0.000) 9.616 5.329 ( 9.016 -3.344 0.000) 9.616 6.175 ( -10.620 6.460 0.000) 12.430 6.175 ( 10.620 6.460 0.000) 12.430 6.581 ( -2.635 -1.475 0.000) 3.020 6.581 ( 2.635 -1.475 0.000) 3.020 7.642 ( -7.484 4.075 0.000) 8.521 7.642 ( 7.484 4.075 0.000) 8.521 8.239 ( -2.569 -5.530 0.000) 6.097 8.239 ( 2.569 -5.530 0.000) 6.097 8.800 ( -3.540 9.228 0.000) 9.884 8.800 ( 3.540 9.228 0.000) 9.884 9.715 ( -5.776 -7.215 0.000) 9.242 9.715 ( 5.776 -7.215 0.000) 9.242 9.930 ( -5.704 1.233 0.000) 5.836 9.930 ( 5.704 1.233 0.000) 5.836 10.257 ( -1.550 -0.308 0.000) 1.581 10.257 ( 1.550 -0.308 0.000) 1.581 10.722 ( -2.730 6.845 0.000) 7.370 10.722 ( 2.730 6.845 0.000) 7.370 11.822 ( -3.263 -7.560 0.000) 8.234 11.822 ( 3.263 -7.560 0.000) 8.234 12.608 ( -27.857 12.164 0.000) 30.397 12.608 ( 27.857 12.164 0.000) 30.397 13.556 ( -38.658 3.039 0.000) 38.777 13.556 ( 38.658 3.039 0.000) 38.777 14.012 ( -36.860 -3.820 0.000) 37.058 14.012 ( 36.860 -3.820 0.000) 37.058 14.677 ( -3.439 -24.249 0.000) 24.492 14.677 ( 3.439 -24.249 0.000) 24.492 17.121 ( -4.288 4.175 0.000) 5.985 17.121 ( 4.288 4.175 0.000) 5.985 17.184 ( -0.299 7.037 0.000) 7.043 17.184 ( 0.299 7.037 0.000) 7.043 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 22.439 0.000) 22.439 1.073 ( 0.000 25.414 0.000) 25.414 1.666 ( 0.000 -10.478 0.000) 10.478 1.877 ( 0.000 35.571 0.000) 35.571 1.982 ( 0.000 -10.338 0.000) 10.338 2.461 ( 0.000 -3.453 0.000) 3.453 2.716 ( 0.000 -13.940 0.000) 13.940 3.043 ( 0.000 9.909 0.000) 9.909 3.072 ( 0.000 4.765 0.000) 4.765 3.268 ( 0.000 18.582 0.000) 18.582 3.368 ( 0.000 0.186 0.000) 0.186 3.391 ( 0.000 -23.722 0.000) 23.722 3.512 ( 0.000 0.500 0.000) 0.500 3.535 ( 0.000 8.417 0.000) 8.417 3.675 ( 0.000 -7.028 0.000) 7.028 3.737 ( 0.000 -0.665 0.000) 0.665 3.876 ( 0.000 -14.524 0.000) 14.524 4.104 ( 0.000 12.313 0.000) 12.313 4.131 ( 0.000 4.385 0.000) 4.385 4.214 ( 0.000 -18.106 0.000) 18.106 4.374 ( 0.000 8.153 0.000) 8.153 4.448 ( 0.000 -3.858 0.000) 3.858 4.663 ( 0.000 -16.427 0.000) 16.427 4.851 ( 0.000 -12.523 0.000) 12.523 5.549 ( 0.000 13.993 0.000) 13.993 5.670 ( 0.000 3.792 0.000) 3.792 5.770 ( 0.000 -1.838 0.000) 1.838 5.930 ( 0.000 6.486 0.000) 6.486 5.992 ( 0.000 -8.228 0.000) 8.228 6.166 ( 0.000 -4.689 0.000) 4.689 6.183 ( 0.000 8.132 0.000) 8.132 6.413 ( 0.000 -1.999 0.000) 1.999 7.041 ( 0.000 2.086 0.000) 2.086 7.099 ( 0.000 -0.709 0.000) 0.709 8.270 ( 0.000 3.219 0.000) 3.219 8.466 ( 0.000 -5.342 0.000) 5.342 8.780 ( 0.000 7.358 0.000) 7.358 8.997 ( 0.000 -3.007 0.000) 3.007 9.162 ( 0.000 8.308 0.000) 8.308 9.455 ( 0.000 -4.079 0.000) 4.079 10.242 ( 0.000 0.009 0.000) 0.009 10.293 ( 0.000 -3.678 0.000) 3.678 10.303 ( 0.000 -2.470 0.000) 2.470 10.316 ( 0.000 -3.145 0.000) 3.145 10.885 ( 0.000 6.985 0.000) 6.985 10.952 ( 0.000 15.937 0.000) 15.937 11.091 ( 0.000 1.367 0.000) 1.367 11.267 ( 0.000 -0.078 0.000) 0.078 11.494 ( 0.000 -10.370 0.000) 10.370 11.499 ( 0.000 -6.738 0.000) 6.738 11.873 ( 0.000 38.420 0.000) 38.420 13.683 ( 0.000 -44.751 0.000) 44.751 14.676 ( 0.000 1.391 0.000) 1.391 14.736 ( 0.000 -1.366 0.000) 1.366 15.091 ( 0.000 3.369 0.000) 3.369 15.296 ( 0.000 -5.804 0.000) 5.804 16.459 ( 0.000 5.321 0.000) 5.321 16.687 ( 0.000 -5.037 0.000) 5.037 17.273 ( 0.000 6.942 0.000) 6.942 17.307 ( 0.000 3.843 0.000) 3.843 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 8.345 18.063 0.000) 19.897 1.190 ( 9.841 21.854 0.000) 23.968 1.704 ( 3.219 -10.957 0.000) 11.420 1.969 ( 1.509 -13.441 0.000) 13.526 2.121 ( 18.290 34.001 0.000) 38.608 2.394 ( -6.026 -2.984 0.000) 6.724 2.642 ( -6.749 -16.625 0.000) 17.942 2.858 ( -10.937 6.062 0.000) 12.504 3.054 ( -5.018 7.624 0.000) 9.127 3.146 ( -11.650 -0.853 0.000) 11.681 3.249 ( -10.383 -3.736 0.000) 11.035 3.371 ( -4.230 3.236 0.000) 5.326 3.556 ( 3.669 2.298 0.000) 4.329 3.570 ( 3.161 -3.456 0.000) 4.684 3.664 ( -7.707 -4.117 0.000) 8.738 3.739 ( 1.221 -6.608 0.000) 6.720 3.792 ( 3.995 -1.426 0.000) 4.242 4.033 ( 0.818 5.678 0.000) 5.736 4.159 ( -2.040 13.491 0.000) 13.644 4.353 ( 8.356 -15.583 0.000) 17.682 4.394 ( 2.266 8.546 0.000) 8.841 4.524 ( 3.473 -8.987 0.000) 9.635 4.662 ( 0.220 -12.903 0.000) 12.905 4.873 ( 2.053 -11.803 0.000) 11.980 5.394 ( -12.608 13.119 0.000) 18.196 5.467 ( -7.716 13.289 0.000) 15.367 5.659 ( -7.153 -0.664 0.000) 7.184 5.888 ( -9.723 -7.884 0.000) 12.518 5.971 ( 3.628 8.258 0.000) 9.020 6.234 ( 4.613 6.569 0.000) 8.027 6.291 ( 4.891 -7.384 0.000) 8.857 6.427 ( 1.109 -1.702 0.000) 2.031 7.174 ( 11.261 3.945 0.000) 11.932 7.473 ( 24.719 -14.119 0.000) 28.467 8.212 ( -5.200 3.913 0.000) 6.508 8.429 ( -3.567 -5.708 0.000) 6.731 8.794 ( 1.455 7.587 0.000) 7.726 9.016 ( 2.405 -3.222 0.000) 4.021 9.158 ( -0.468 9.224 0.000) 9.236 9.487 ( 2.894 -4.729 0.000) 5.544 10.130 ( -6.739 4.512 0.000) 8.110 10.251 ( -2.946 -2.257 0.000) 3.711 10.312 ( -0.603 -4.314 0.000) 4.356 10.375 ( 1.900 -6.816 0.000) 7.076 10.951 ( 0.067 16.059 0.000) 16.059 10.963 ( -4.453 15.691 0.000) 16.311 11.196 ( 21.380 8.452 0.000) 22.990 11.416 ( 18.392 -7.310 0.000) 19.791 11.496 ( 0.417 -9.705 0.000) 9.714 11.640 ( 10.271 -11.721 0.000) 15.585 11.960 ( 8.064 36.344 0.000) 37.228 13.714 ( 3.007 -43.878 0.000) 43.981 14.450 ( -19.334 2.893 0.000) 19.549 14.620 ( -8.820 -6.327 0.000) 10.855 15.015 ( -7.430 3.506 0.000) 8.216 15.225 ( -6.975 -5.883 0.000) 9.125 16.611 ( 12.391 5.678 0.000) 13.630 16.858 ( 12.555 -5.705 0.000) 13.790 17.280 ( 0.623 6.698 0.000) 6.727 17.311 ( 0.282 4.017 0.000) 4.026 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 7.029 8.799 0.000) 11.261 1.426 ( 11.707 14.500 0.000) 18.636 1.773 ( 2.934 -13.845 0.000) 14.153 1.971 ( -2.564 -7.115 0.000) 7.563 2.181 ( -5.975 -8.343 0.000) 10.262 2.419 ( -11.939 -17.426 0.000) 21.124 2.664 ( -7.184 2.250 0.000) 7.528 2.678 ( 23.493 18.753 0.000) 30.059 2.834 ( -16.466 -6.390 0.000) 17.662 2.893 ( -9.812 6.095 0.000) 11.551 3.043 ( -8.891 2.776 0.000) 9.315 3.173 ( -11.789 -5.520 0.000) 13.017 3.405 ( -8.093 3.091 0.000) 8.663 3.660 ( 5.989 5.198 0.000) 7.930 3.789 ( 4.701 5.044 0.000) 6.895 3.797 ( 12.961 -0.698 0.000) 12.980 3.994 ( -4.975 13.020 0.000) 13.938 4.003 ( 11.774 1.945 0.000) 11.934 4.218 ( 8.575 -0.776 0.000) 8.610 4.446 ( 3.432 11.580 0.000) 12.078 4.508 ( 5.495 -12.384 0.000) 13.548 4.513 ( -3.748 -12.940 0.000) 13.472 4.670 ( 0.419 -6.226 0.000) 6.240 4.934 ( 3.723 -10.214 0.000) 10.871 5.230 ( -6.385 11.451 0.000) 13.111 5.242 ( -13.597 10.971 0.000) 17.471 5.563 ( -3.574 -3.749 0.000) 5.180 5.606 ( -16.855 -7.547 0.000) 18.467 6.032 ( 3.807 11.480 0.000) 12.095 6.353 ( 6.284 3.310 0.000) 7.103 6.396 ( 5.554 -6.483 0.000) 8.537 6.444 ( 0.154 -0.228 0.000) 0.275 7.414 ( 10.710 6.434 0.000) 12.494 7.861 ( 11.770 -16.627 0.000) 20.371 8.075 ( -7.527 5.241 0.000) 9.172 8.328 ( -5.737 -6.270 0.000) 8.498 8.846 ( 3.584 8.713 0.000) 9.421 9.124 ( 8.245 -5.356 0.000) 9.832 9.141 ( -1.232 11.384 0.000) 11.451 9.561 ( 3.728 -6.410 0.000) 7.415 10.012 ( -4.300 6.809 0.000) 8.053 10.172 ( -4.750 -2.253 0.000) 5.257 10.267 ( -3.572 -4.400 0.000) 5.668 10.358 ( -3.186 -7.711 0.000) 8.343 10.888 ( -0.830 20.736 0.000) 20.752 10.961 ( 0.824 15.578 0.000) 15.600 11.518 ( 1.714 -10.114 0.000) 10.258 11.631 ( 2.703 -15.855 0.000) 16.084 11.875 ( 40.075 7.090 0.000) 40.698 12.172 ( 38.660 -6.594 0.000) 39.218 12.192 ( 13.944 32.796 0.000) 35.637 13.804 ( 5.471 -41.370 0.000) 41.730 13.974 ( -24.856 7.602 0.000) 25.993 14.436 ( -8.564 -16.191 0.000) 18.317 14.772 ( -16.390 3.931 0.000) 16.855 14.995 ( -15.573 -6.061 0.000) 16.711 16.882 ( 12.360 5.981 0.000) 13.731 17.092 ( 9.101 -2.600 0.000) 9.465 17.292 ( 0.329 5.842 0.000) 5.852 17.316 ( 0.209 4.618 0.000) 4.623 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 2.982 -2.398 0.000) 3.827 1.552 ( -3.752 -2.212 0.000) 4.355 1.816 ( 1.339 -21.137 0.000) 21.179 1.926 ( 5.888 3.660 0.000) 6.933 2.120 ( -14.488 -23.335 0.000) 27.467 2.227 ( 8.316 -6.437 0.000) 10.516 2.494 ( -13.508 2.375 0.000) 13.716 2.585 ( -3.023 2.184 0.000) 3.729 2.682 ( -10.144 0.687 0.000) 10.168 2.803 ( -8.390 5.186 0.000) 9.864 2.966 ( -6.453 -7.815 0.000) 10.135 2.999 ( -1.548 -4.486 0.000) 4.746 3.547 ( 22.781 18.857 0.000) 29.573 3.772 ( 4.277 10.429 0.000) 11.272 3.906 ( -3.269 15.277 0.000) 15.623 3.918 ( 7.331 4.312 0.000) 8.505 4.066 ( 10.720 10.676 0.000) 15.129 4.211 ( 6.862 3.877 0.000) 7.882 4.411 ( -5.249 -9.630 0.000) 10.967 4.446 ( 13.201 -14.387 0.000) 19.526 4.476 ( -2.944 9.419 0.000) 9.868 4.625 ( 6.950 -4.844 0.000) 8.471 4.683 ( 1.172 -4.892 0.000) 5.030 4.916 ( -13.145 7.226 0.000) 15.000 5.045 ( 3.551 -9.337 0.000) 9.989 5.067 ( -9.216 8.851 0.000) 12.779 5.229 ( -17.488 -7.746 0.000) 19.127 5.436 ( -8.858 -6.427 0.000) 10.944 6.163 ( 8.012 11.444 0.000) 13.970 6.415 ( -2.646 3.001 0.000) 4.001 6.476 ( 4.576 -0.202 0.000) 4.580 6.500 ( 3.842 -5.345 0.000) 6.582 7.605 ( 7.891 7.525 0.000) 10.904 7.914 ( -7.755 6.509 0.000) 10.124 8.012 ( 4.477 -11.484 0.000) 12.326 8.206 ( -5.760 -6.876 0.000) 8.969 8.937 ( 4.840 11.061 0.000) 12.074 9.103 ( -2.529 13.289 0.000) 13.527 9.336 ( 11.200 -8.669 0.000) 14.163 9.614 ( 0.464 -8.791 0.000) 8.803 9.952 ( -1.535 5.530 0.000) 5.739 10.055 ( -6.130 -0.962 0.000) 6.205 10.197 ( -2.169 -4.190 0.000) 4.718 10.272 ( -4.417 -6.712 0.000) 8.035 10.912 ( 2.283 18.180 0.000) 18.322 10.974 ( 0.105 14.917 0.000) 14.918 11.562 ( 2.367 -11.650 0.000) 11.888 11.641 ( -0.842 -15.184 0.000) 15.207 12.529 ( 18.403 28.081 0.000) 33.574 12.771 ( 44.046 5.936 0.000) 44.444 13.028 ( 39.082 -5.872 0.000) 39.521 13.474 ( -20.469 13.837 0.000) 24.707 13.935 ( 6.886 -37.595 0.000) 38.221 14.263 ( -8.116 -24.666 0.000) 25.967 14.322 ( -27.111 4.839 0.000) 27.539 14.565 ( -26.093 -6.216 0.000) 26.823 17.097 ( 8.168 5.785 0.000) 10.009 17.234 ( 4.804 1.070 0.000) 4.922 17.282 ( -1.518 5.136 0.000) 5.356 17.318 ( -0.139 4.768 0.000) 4.770 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -6.027 -8.970 0.000) 10.807 1.410 ( 6.027 -8.970 0.000) 10.807 1.881 ( -6.771 -25.532 0.000) 26.414 1.881 ( 6.771 -25.532 0.000) 26.414 2.185 ( -15.068 7.106 0.000) 16.660 2.185 ( 15.068 7.106 0.000) 16.660 2.450 ( -11.928 -2.774 0.000) 12.247 2.450 ( 11.928 -2.774 0.000) 12.247 2.635 ( -6.501 5.135 0.000) 8.284 2.635 ( 6.501 5.135 0.000) 8.284 2.934 ( -2.312 -8.272 0.000) 8.589 2.934 ( 2.312 -8.272 0.000) 8.589 3.841 ( -2.599 14.908 0.000) 15.133 3.841 ( 2.599 14.908 0.000) 15.133 3.986 ( -8.511 9.778 0.000) 12.963 3.986 ( 8.511 9.778 0.000) 12.963 4.208 ( -6.614 11.301 0.000) 13.094 4.208 ( 6.614 11.301 0.000) 13.094 4.352 ( -1.580 -0.415 0.000) 1.633 4.352 ( 1.580 -0.415 0.000) 1.633 4.674 ( -4.455 -5.988 0.000) 7.463 4.674 ( 4.455 -5.988 0.000) 7.463 4.806 ( -10.807 -9.636 0.000) 14.479 4.806 ( 10.807 -9.636 0.000) 14.479 4.879 ( -4.028 3.662 0.000) 5.444 4.879 ( 4.028 3.662 0.000) 5.444 5.234 ( -9.438 -6.271 0.000) 11.331 5.234 ( 9.438 -6.271 0.000) 11.331 6.320 ( -6.422 7.326 0.000) 9.743 6.320 ( 6.422 7.326 0.000) 9.743 6.535 ( -0.687 -3.225 0.000) 3.298 6.535 ( 0.687 -3.225 0.000) 3.298 7.758 ( -7.260 7.401 0.000) 10.368 7.758 ( 7.260 7.401 0.000) 10.368 8.098 ( -4.498 -8.195 0.000) 9.349 8.098 ( 4.498 -8.195 0.000) 9.349 9.033 ( -4.156 13.233 0.000) 13.870 9.033 ( 4.156 13.233 0.000) 13.870 9.543 ( -7.512 -10.449 0.000) 12.869 9.543 ( 7.512 -10.449 0.000) 12.869 9.957 ( -2.463 3.013 0.000) 3.892 9.957 ( 2.463 3.013 0.000) 3.892 10.198 ( -2.228 -5.608 0.000) 6.035 10.198 ( 2.228 -5.608 0.000) 6.035 10.957 ( -1.721 15.743 0.000) 15.837 10.957 ( 1.721 15.743 0.000) 15.837 11.610 ( -2.033 -13.484 0.000) 13.637 11.610 ( 2.033 -13.484 0.000) 13.637 12.946 ( -21.334 21.320 0.000) 30.161 12.946 ( 21.334 21.320 0.000) 30.161 13.636 ( -37.820 4.312 0.000) 38.065 13.636 ( 37.820 4.312 0.000) 38.065 13.908 ( -35.488 -6.419 0.000) 36.063 13.908 ( 35.488 -6.419 0.000) 36.063 14.100 ( -7.019 -30.342 0.000) 31.143 14.100 ( 7.019 -30.342 0.000) 31.143 17.224 ( -4.242 5.393 0.000) 6.861 17.224 ( 4.242 5.393 0.000) 6.861 17.300 ( -1.839 3.448 0.000) 3.908 17.300 ( 1.839 3.448 0.000) 3.908 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 -18.445 0.000) 18.445 1.369 ( 0.000 18.445 0.000) 18.445 1.554 ( 0.000 -22.582 0.000) 22.582 1.554 ( 0.000 22.582 0.000) 22.582 2.463 ( 0.000 -1.503 0.000) 1.503 2.463 ( 0.000 1.503 0.000) 1.503 2.763 ( 0.000 -33.580 0.000) 33.580 2.763 ( 0.000 33.580 0.000) 33.580 3.158 ( 0.000 -0.899 0.000) 0.899 3.158 ( 0.000 0.899 0.000) 0.899 3.437 ( 0.000 -6.153 0.000) 6.153 3.437 ( 0.000 6.153 0.000) 6.153 3.545 ( 0.000 -5.202 0.000) 5.202 3.545 ( 0.000 5.202 0.000) 5.202 3.683 ( 0.000 -5.780 0.000) 5.780 3.683 ( 0.000 5.780 0.000) 5.780 3.846 ( 0.000 -15.441 0.000) 15.441 3.846 ( 0.000 15.441 0.000) 15.441 4.284 ( 0.000 -0.222 0.000) 0.222 4.284 ( 0.000 0.222 0.000) 0.222 4.375 ( 0.000 -6.247 0.000) 6.247 4.375 ( 0.000 6.247 0.000) 6.247 4.590 ( 0.000 -12.768 0.000) 12.768 4.590 ( 0.000 12.768 0.000) 12.768 5.729 ( 0.000 -2.349 0.000) 2.349 5.729 ( 0.000 2.349 0.000) 2.349 5.799 ( 0.000 -11.047 0.000) 11.047 5.799 ( 0.000 11.047 0.000) 11.047 6.058 ( 0.000 -6.025 0.000) 6.025 6.058 ( 0.000 6.025 0.000) 6.025 6.331 ( 0.000 -6.126 0.000) 6.126 6.331 ( 0.000 6.126 0.000) 6.126 7.078 ( 0.000 -1.503 0.000) 1.503 7.078 ( 0.000 1.503 0.000) 1.503 8.357 ( 0.000 -5.258 0.000) 5.258 8.357 ( 0.000 5.258 0.000) 5.258 8.912 ( 0.000 -5.518 0.000) 5.518 8.912 ( 0.000 5.518 0.000) 5.518 9.332 ( 0.000 -7.956 0.000) 7.956 9.332 ( 0.000 7.956 0.000) 7.956 10.262 ( 0.000 -1.994 0.000) 1.994 10.262 ( 0.000 1.994 0.000) 1.994 10.266 ( 0.000 -0.723 0.000) 0.723 10.266 ( 0.000 0.723 0.000) 0.723 11.024 ( 0.000 -6.380 0.000) 6.380 11.024 ( 0.000 6.380 0.000) 6.380 11.251 ( 0.000 -13.760 0.000) 13.760 11.251 ( 0.000 13.760 0.000) 13.760 11.355 ( 0.000 -7.056 0.000) 7.056 11.355 ( 0.000 7.056 0.000) 7.056 12.746 ( 0.000 -47.161 0.000) 47.161 12.746 ( 0.000 47.161 0.000) 47.161 14.706 ( 0.000 -1.588 0.000) 1.588 14.706 ( 0.000 1.588 0.000) 1.588 15.181 ( 0.000 -5.381 0.000) 5.381 15.181 ( 0.000 5.381 0.000) 5.381 16.575 ( 0.000 -5.972 0.000) 5.972 16.575 ( 0.000 5.972 0.000) 5.972 17.347 ( 0.000 -0.500 0.000) 0.500 17.347 ( 0.000 0.500 0.000) 0.500 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 3.720 -17.124 0.000) 17.523 1.416 ( 3.720 17.124 0.000) 17.523 1.616 ( 5.339 -20.169 0.000) 20.863 1.616 ( 5.339 20.169 0.000) 20.863 2.396 ( -8.408 -6.844 0.000) 10.841 2.396 ( -8.408 6.844 0.000) 10.841 2.844 ( 9.244 -31.395 0.000) 32.728 2.844 ( 9.244 31.395 0.000) 32.728 3.004 ( -13.232 -7.838 0.000) 15.379 3.004 ( -13.232 7.838 0.000) 15.379 3.278 ( -10.365 -9.385 0.000) 13.983 3.278 ( -10.365 9.385 0.000) 13.983 3.579 ( -7.581 -4.181 0.000) 8.658 3.579 ( -7.581 4.181 0.000) 8.658 3.620 ( 5.384 -4.962 0.000) 7.322 3.620 ( 5.384 4.962 0.000) 7.322 4.003 ( 11.055 -17.466 0.000) 20.670 4.003 ( 11.055 17.466 0.000) 20.670 4.266 ( -0.533 -13.770 0.000) 13.780 4.266 ( -0.533 13.770 0.000) 13.780 4.427 ( 2.078 -11.636 0.000) 11.821 4.427 ( 2.078 11.636 0.000) 11.821 4.620 ( 2.755 -12.762 0.000) 13.056 4.620 ( 2.755 12.762 0.000) 13.056 5.583 ( -8.439 -6.484 0.000) 10.642 5.583 ( -8.439 6.484 0.000) 10.642 5.705 ( -8.927 -10.507 0.000) 13.788 5.705 ( -8.927 10.507 0.000) 13.788 6.138 ( 4.661 -8.016 0.000) 9.272 6.138 ( 4.661 8.016 0.000) 9.272 6.357 ( 2.340 -5.203 0.000) 5.705 6.357 ( 2.340 5.203 0.000) 5.705 7.278 ( 15.648 -6.783 0.000) 17.054 7.278 ( 15.648 6.783 0.000) 17.054 8.311 ( -4.226 -5.745 0.000) 7.132 8.311 ( -4.226 5.745 0.000) 7.132 8.929 ( 1.891 -5.596 0.000) 5.907 8.929 ( 1.891 5.596 0.000) 5.907 9.346 ( 1.308 -8.943 0.000) 9.038 9.346 ( 1.308 8.943 0.000) 9.038 10.239 ( -2.173 -6.413 0.000) 6.771 10.239 ( -2.173 6.413 0.000) 6.771 10.247 ( -1.908 -1.871 0.000) 2.673 10.247 ( -1.908 1.871 0.000) 2.673 11.211 ( 11.103 -9.523 0.000) 14.627 11.211 ( 11.103 9.523 0.000) 14.627 11.255 ( 0.390 -13.951 0.000) 13.957 11.255 ( 0.390 13.951 0.000) 13.957 11.421 ( 12.608 -9.878 0.000) 16.017 11.421 ( 12.608 9.878 0.000) 16.017 12.800 ( 5.133 -45.772 0.000) 46.059 12.800 ( 5.133 45.772 0.000) 46.059 14.520 ( -15.446 -4.082 0.000) 15.976 14.520 ( -15.446 4.082 0.000) 15.976 15.108 ( -7.167 -5.508 0.000) 9.039 15.108 ( -7.167 5.508 0.000) 9.039 16.735 ( 12.792 -6.428 0.000) 14.316 16.735 ( 12.792 6.428 0.000) 14.316 17.352 ( 0.418 -0.518 0.000) 0.666 17.352 ( 0.418 0.518 0.000) 0.666 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.826 -14.770 0.000) 14.793 1.475 ( 0.826 14.770 0.000) 14.793 1.747 ( 6.015 -16.005 0.000) 17.098 1.747 ( 6.015 16.005 0.000) 17.098 2.141 ( -13.576 -6.372 0.000) 14.997 2.141 ( -13.576 6.372 0.000) 14.997 2.718 ( -11.904 -4.307 0.000) 12.659 2.718 ( -11.904 4.307 0.000) 12.659 3.013 ( 0.964 -8.577 0.000) 8.631 3.013 ( 0.964 8.577 0.000) 8.631 3.046 ( -11.963 -7.554 0.000) 14.148 3.046 ( -11.963 7.554 0.000) 14.148 3.553 ( 10.451 -13.915 0.000) 17.403 3.553 ( 10.451 13.915 0.000) 17.403 3.755 ( 7.367 -4.920 0.000) 8.859 3.755 ( 7.367 4.920 0.000) 8.859 4.223 ( 9.560 -15.151 0.000) 17.915 4.223 ( 9.560 15.151 0.000) 17.915 4.242 ( -2.380 -13.345 0.000) 13.556 4.242 ( -2.380 13.345 0.000) 13.556 4.450 ( 1.048 -14.309 0.000) 14.347 4.450 ( 1.048 14.309 0.000) 14.347 4.697 ( 4.390 -12.860 0.000) 13.589 4.697 ( 4.390 12.860 0.000) 13.589 5.439 ( -6.583 -8.555 0.000) 10.795 5.439 ( -6.583 8.555 0.000) 10.795 5.442 ( -15.958 -8.993 0.000) 18.317 5.442 ( -15.958 8.993 0.000) 18.317 6.240 ( 5.654 -9.104 0.000) 10.717 6.240 ( 5.654 9.104 0.000) 10.717 6.415 ( 2.900 -2.541 0.000) 3.855 6.415 ( 2.900 2.541 0.000) 3.855 7.587 ( 12.471 -11.003 0.000) 16.631 7.587 ( 12.471 11.003 0.000) 16.631 8.196 ( -6.415 -6.640 0.000) 9.232 8.196 ( -6.415 6.640 0.000) 9.232 9.005 ( 5.554 -6.897 0.000) 8.856 9.005 ( 5.554 6.897 0.000) 8.856 9.376 ( 1.234 -11.395 0.000) 11.462 9.376 ( 1.234 11.395 0.000) 11.462 10.177 ( -3.578 -9.337 0.000) 9.999 10.177 ( -3.578 9.337 0.000) 9.999 10.185 ( -3.979 -3.096 0.000) 5.041 10.185 ( -3.979 3.096 0.000) 5.041 11.269 ( 0.926 -14.441 0.000) 14.471 11.269 ( 0.926 14.441 0.000) 14.471 11.285 ( 0.623 -18.640 0.000) 18.651 11.285 ( 0.623 18.640 0.000) 18.651 12.026 ( 39.209 -7.733 0.000) 39.964 12.026 ( 39.209 7.733 0.000) 39.964 12.952 ( 9.384 -41.975 0.000) 43.011 12.952 ( 9.384 41.975 0.000) 43.011 14.162 ( -17.673 -11.359 0.000) 21.009 14.162 ( -17.673 11.359 0.000) 21.009 14.873 ( -15.873 -5.854 0.000) 16.918 14.873 ( -15.873 5.854 0.000) 16.918 17.004 ( 11.756 -5.726 0.000) 13.076 17.004 ( 11.756 5.726 0.000) 13.076 17.359 ( 0.176 -0.707 0.000) 0.729 17.359 ( 0.176 0.707 0.000) 0.729 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -2.662 -13.900 0.000) 14.153 1.442 ( -2.662 13.900 0.000) 14.153 1.674 ( -12.876 -15.090 0.000) 19.837 1.674 ( -12.876 15.090 0.000) 19.837 2.083 ( 9.391 -7.846 0.000) 12.237 2.083 ( 9.391 7.846 0.000) 12.237 2.543 ( -6.648 -3.440 0.000) 7.486 2.543 ( -6.648 3.440 0.000) 7.486 2.812 ( -8.623 -8.272 0.000) 11.950 2.812 ( -8.623 8.272 0.000) 11.950 2.908 ( -7.447 -4.934 0.000) 8.933 2.908 ( -7.447 4.934 0.000) 8.933 3.912 ( 7.349 -4.443 0.000) 8.587 3.912 ( 7.349 4.443 0.000) 8.587 3.946 ( 21.861 -19.105 0.000) 29.032 3.946 ( 21.861 19.105 0.000) 29.032 4.180 ( -2.079 -12.134 0.000) 12.311 4.180 ( -2.079 12.134 0.000) 12.311 4.386 ( 5.885 -11.160 0.000) 12.617 4.386 ( 5.885 11.160 0.000) 12.617 4.477 ( 1.178 -12.997 0.000) 13.050 4.477 ( 1.178 12.997 0.000) 13.050 4.778 ( 0.761 -13.439 0.000) 13.461 4.778 ( 0.761 13.439 0.000) 13.461 5.087 ( -14.867 -7.089 0.000) 16.470 5.087 ( -14.867 7.089 0.000) 16.470 5.274 ( -9.371 -9.795 0.000) 13.556 5.274 ( -9.371 9.795 0.000) 13.556 6.363 ( 5.572 -8.457 0.000) 10.128 6.363 ( 5.572 8.457 0.000) 10.128 6.461 ( 1.119 -1.478 0.000) 1.854 6.461 ( 1.119 1.478 0.000) 1.854 7.787 ( 7.461 -10.520 0.000) 12.897 7.787 ( 7.461 10.520 0.000) 12.897 8.058 ( -6.660 -7.614 0.000) 10.116 8.058 ( -6.660 7.614 0.000) 10.116 9.150 ( 7.907 -10.039 0.000) 12.779 9.150 ( 7.907 10.039 0.000) 12.779 9.379 ( -1.431 -13.693 0.000) 13.768 9.379 ( -1.431 13.693 0.000) 13.768 10.100 ( -3.535 -4.582 0.000) 5.788 10.100 ( -3.535 4.582 0.000) 5.788 10.103 ( -3.185 -8.991 0.000) 9.538 10.103 ( -3.185 8.991 0.000) 9.538 11.288 ( 0.806 -15.429 0.000) 15.450 11.288 ( 0.806 15.429 0.000) 15.450 11.294 ( 0.382 -19.007 0.000) 19.011 11.294 ( 0.382 19.007 0.000) 19.011 12.900 ( 42.535 -6.725 0.000) 43.064 12.900 ( 42.535 6.725 0.000) 43.064 13.180 ( 12.315 -36.334 0.000) 38.364 13.180 ( 12.315 36.334 0.000) 38.364 13.812 ( -15.664 -19.981 0.000) 25.389 13.812 ( -15.664 19.981 0.000) 25.389 14.436 ( -26.357 -6.332 0.000) 27.107 14.436 ( -26.357 6.332 0.000) 27.107 17.201 ( 7.196 -3.978 0.000) 8.222 17.201 ( 7.196 3.978 0.000) 8.222 17.352 ( -1.025 -1.332 0.000) 1.681 17.352 ( -1.025 1.332 0.000) 1.681 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -5.743 -13.826 0.000) 14.971 1.456 ( 5.743 -13.826 0.000) 14.971 1.456 ( -5.743 13.826 0.000) 14.971 1.456 ( 5.743 13.826 0.000) 14.971 2.336 ( -12.849 -7.419 0.000) 14.837 2.336 ( 12.849 -7.419 0.000) 14.837 2.336 ( -12.849 7.419 0.000) 14.837 2.336 ( 12.849 7.419 0.000) 14.837 2.776 ( -4.136 -7.826 0.000) 8.852 2.776 ( 4.136 -7.826 0.000) 8.852 2.776 ( -4.136 7.826 0.000) 8.852 2.776 ( 4.136 7.826 0.000) 8.852 4.046 ( -5.251 -5.736 0.000) 7.776 4.046 ( 5.251 -5.736 0.000) 7.776 4.046 ( -5.251 5.736 0.000) 7.776 4.046 ( 5.251 5.736 0.000) 7.776 4.433 ( -8.003 -9.149 0.000) 12.155 4.433 ( 8.003 -9.149 0.000) 12.155 4.433 ( -8.003 9.149 0.000) 12.155 4.433 ( 8.003 9.149 0.000) 12.155 4.525 ( -12.994 -10.102 0.000) 16.459 4.525 ( 12.994 -10.102 0.000) 16.459 4.525 ( -12.994 10.102 0.000) 16.459 4.525 ( 12.994 10.102 0.000) 16.459 5.075 ( -8.563 -9.628 0.000) 12.885 5.075 ( 8.563 -9.628 0.000) 12.885 5.075 ( -8.563 9.628 0.000) 12.885 5.075 ( 8.563 9.628 0.000) 12.885 6.449 ( -2.391 -5.422 0.000) 5.925 6.449 ( 2.391 -5.422 0.000) 5.925 6.449 ( -2.391 5.422 0.000) 5.925 6.449 ( 2.391 5.422 0.000) 5.925 7.925 ( -6.261 -8.877 0.000) 10.863 7.925 ( 6.261 -8.877 0.000) 10.863 7.925 ( -6.261 8.877 0.000) 10.863 7.925 ( 6.261 8.877 0.000) 10.863 9.302 ( -5.992 -13.211 0.000) 14.506 9.302 ( 5.992 -13.211 0.000) 14.506 9.302 ( -5.992 13.211 0.000) 14.506 9.302 ( 5.992 13.211 0.000) 14.506 10.063 ( -0.230 -6.930 0.000) 6.934 10.063 ( 0.230 -6.930 0.000) 6.934 10.063 ( -0.230 6.930 0.000) 6.934 10.063 ( 0.230 6.930 0.000) 6.934 11.298 ( -0.095 -17.181 0.000) 17.181 11.298 ( 0.095 -17.181 0.000) 17.181 11.298 ( -0.095 17.181 0.000) 17.181 11.298 ( 0.095 17.181 0.000) 17.181 13.439 ( -9.647 -26.791 0.000) 28.474 13.439 ( 9.647 -26.791 0.000) 28.474 13.439 ( -9.647 26.791 0.000) 28.474 13.439 ( 9.647 26.791 0.000) 28.474 13.796 ( -32.110 -4.950 0.000) 32.490 13.796 ( -32.110 4.950 0.000) 32.490 13.796 ( 32.110 -4.950 0.000) 32.490 13.796 ( 32.110 4.950 0.000) 32.490 17.308 ( -3.420 -2.419 0.000) 4.189 17.308 ( 3.420 -2.419 0.000) 4.189 17.308 ( -3.420 2.419 0.000) 4.189 17.308 ( 3.420 2.419 0.000) 4.189 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 0.000 23.275) 23.275 0.521 ( 0.000 0.000 26.862) 26.862 0.899 ( 0.000 0.000 46.785) 46.785 1.871 ( 0.000 0.000 8.318) 8.318 2.356 ( 0.000 0.000 6.391) 6.391 2.658 ( 0.000 0.000 -1.736) 1.736 2.692 ( 0.000 0.000 -8.221) 8.221 2.732 ( 0.000 0.000 -6.061) 6.061 2.985 ( 0.000 0.000 -9.701) 9.701 3.046 ( 0.000 0.000 -1.281) 1.281 3.161 ( 0.000 0.000 -20.563) 20.563 3.295 ( 0.000 0.000 4.792) 4.792 3.339 ( 0.000 0.000 -5.092) 5.092 3.391 ( 0.000 0.000 -2.656) 2.656 3.434 ( 0.000 0.000 6.021) 6.021 3.834 ( 0.000 0.000 -7.589) 7.589 4.126 ( 0.000 0.000 7.454) 7.454 4.176 ( 0.000 0.000 -1.689) 1.689 4.359 ( 0.000 0.000 5.421) 5.421 4.456 ( 0.000 0.000 2.365) 2.365 4.501 ( 0.000 0.000 5.054) 5.054 4.668 ( 0.000 0.000 16.595) 16.595 4.877 ( 0.000 0.000 -11.158) 11.158 5.015 ( 0.000 0.000 -2.460) 2.460 5.201 ( 0.000 0.000 -4.864) 4.864 5.482 ( 0.000 0.000 3.974) 3.974 5.773 ( 0.000 0.000 -4.483) 4.483 5.784 ( 0.000 0.000 -3.857) 3.857 5.920 ( 0.000 0.000 -5.805) 5.805 6.196 ( 0.000 0.000 -6.634) 6.634 6.254 ( 0.000 0.000 0.734) 0.734 6.377 ( 0.000 0.000 -2.166) 2.166 7.109 ( 0.000 0.000 12.302) 12.302 7.137 ( 0.000 0.000 2.871) 2.871 8.279 ( 0.000 0.000 -4.827) 4.827 8.604 ( 0.000 0.000 0.945) 0.945 8.621 ( 0.000 0.000 4.243) 4.243 9.031 ( 0.000 0.000 6.138) 6.138 9.054 ( 0.000 0.000 0.483) 0.483 9.176 ( 0.000 0.000 -1.151) 1.151 10.129 ( 0.000 0.000 -11.805) 11.805 10.330 ( 0.000 0.000 -10.728) 10.728 10.357 ( 0.000 0.000 -3.111) 3.111 10.515 ( 0.000 0.000 3.021) 3.021 10.554 ( 0.000 0.000 12.068) 12.068 10.877 ( 0.000 0.000 17.233) 17.233 11.042 ( 0.000 0.000 0.522) 0.522 11.546 ( 0.000 0.000 18.255) 18.255 11.685 ( 0.000 0.000 4.298) 4.298 11.769 ( 0.000 0.000 4.530) 4.530 11.936 ( 0.000 0.000 3.391) 3.391 14.580 ( 0.000 0.000 -6.786) 6.786 14.598 ( 0.000 0.000 -15.777) 15.777 14.707 ( 0.000 0.000 -6.314) 6.314 14.950 ( 0.000 0.000 -9.585) 9.585 15.042 ( 0.000 0.000 -0.806) 0.806 16.505 ( 0.000 0.000 14.162) 14.162 16.975 ( 0.000 0.000 0.507) 0.507 17.061 ( 0.000 0.000 0.302) 0.302 17.181 ( 0.000 0.000 0.072) 0.072 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 18.657 0.000 13.725) 23.162 0.721 ( 21.069 0.000 13.278) 24.904 1.405 ( 36.173 0.000 31.229) 47.788 1.944 ( 6.946 0.000 7.152) 9.970 2.360 ( -1.917 0.000 4.942) 5.301 2.637 ( -3.953 0.000 -4.898) 6.294 2.675 ( -2.146 0.000 -5.253) 5.675 2.727 ( -0.700 0.000 -4.975) 5.024 2.919 ( -3.058 0.000 -6.611) 7.284 3.044 ( -9.874 0.000 -10.638) 14.514 3.078 ( 2.736 0.000 -4.341) 5.131 3.191 ( -10.415 0.000 -7.286) 12.711 3.311 ( 0.508 0.000 -6.744) 6.763 3.356 ( 0.486 0.000 -1.444) 1.524 3.539 ( 7.120 0.000 8.322) 10.953 3.807 ( -2.290 0.000 -7.970) 8.293 4.061 ( -5.972 0.000 5.938) 8.422 4.170 ( -0.814 0.000 -0.669) 1.054 4.239 ( -13.591 0.000 2.596) 13.836 4.350 ( -6.752 0.000 2.490) 7.197 4.585 ( 8.330 0.000 10.701) 13.561 4.814 ( 5.930 0.000 9.810) 11.463 4.839 ( -2.601 0.000 -3.921) 4.705 4.947 ( -3.150 0.000 -4.316) 5.343 5.216 ( -12.005 0.000 11.759) 16.805 5.259 ( 6.092 0.000 0.527) 6.114 5.351 ( -9.499 0.000 1.596) 9.632 5.793 ( -1.309 0.000 -6.618) 6.747 6.043 ( -6.670 0.000 -5.678) 8.760 6.093 ( 7.306 0.000 4.176) 8.415 6.398 ( 1.477 0.000 -1.666) 2.226 6.478 ( 5.965 0.000 -0.295) 5.972 7.145 ( 7.190 0.000 5.150) 8.844 7.874 ( 22.919 0.000 -27.051) 35.454 8.248 ( -1.368 0.000 -9.994) 10.087 8.571 ( -3.342 0.000 -1.942) 3.866 8.629 ( 0.744 0.000 4.609) 4.668 9.008 ( -2.163 0.000 6.448) 6.801 9.123 ( 8.200 0.000 -1.958) 8.431 9.230 ( 5.015 0.000 -0.604) 5.051 10.041 ( -5.490 0.000 -4.508) 7.103 10.241 ( -7.142 0.000 0.908) 7.199 10.396 ( 2.500 0.000 -10.972) 11.254 10.453 ( -4.841 0.000 0.905) 4.925 10.639 ( 5.548 0.000 10.745) 12.093 10.931 ( 6.551 0.000 -3.677) 7.513 10.942 ( -24.920 0.000 41.624) 48.513 11.349 ( 26.463 0.000 19.996) 33.169 11.756 ( 2.146 0.000 3.354) 3.982 11.779 ( 19.688 0.000 16.725) 25.833 12.059 ( 2.280 0.000 -0.329) 2.304 14.169 ( -26.139 0.000 -21.127) 33.609 14.718 ( 1.804 0.000 -0.149) 1.810 14.977 ( -0.340 0.000 -5.431) 5.441 15.049 ( 0.521 0.000 -0.744) 0.909 15.151 ( 13.569 0.000 -17.100) 21.830 16.586 ( 7.164 0.000 9.460) 11.866 16.940 ( -3.146 0.000 -2.831) 4.233 17.000 ( 0.138 0.000 -0.099) 0.170 17.178 ( -0.299 0.000 -0.128) 0.325 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 22.417 0.000 3.040) 22.622 1.189 ( 22.768 0.000 5.751) 23.483 2.141 ( 11.243 0.000 5.773) 12.639 2.178 ( 34.433 0.000 18.967) 39.311 2.237 ( -7.870 0.000 1.622) 8.035 2.493 ( -8.501 0.000 -2.391) 8.831 2.563 ( -8.413 0.000 -1.331) 8.518 2.694 ( -2.378 0.000 -3.630) 4.339 2.842 ( -7.562 0.000 -10.612) 13.031 2.909 ( -9.709 0.000 -3.210) 10.226 2.948 ( -3.217 0.000 -3.480) 4.740 3.186 ( 8.026 0.000 -12.648) 14.980 3.301 ( -1.721 0.000 -8.797) 8.963 3.371 ( -0.741 0.000 -0.032) 0.742 3.689 ( -8.410 0.000 -5.403) 9.996 3.720 ( 10.120 0.000 11.094) 15.017 3.813 ( -16.784 0.000 2.729) 17.004 4.111 ( 4.407 0.000 3.572) 5.673 4.134 ( -2.770 0.000 -1.478) 3.140 4.216 ( -5.787 0.000 -1.596) 6.003 4.725 ( 1.125 0.000 2.728) 2.951 4.738 ( -7.118 0.000 -3.497) 7.931 4.855 ( 7.096 0.000 5.759) 9.139 4.944 ( -2.500 0.000 4.343) 5.011 5.131 ( -3.648 0.000 0.701) 3.715 5.155 ( -6.052 0.000 -2.758) 6.650 5.501 ( 16.143 0.000 5.770) 17.143 5.705 ( -7.270 0.000 -7.552) 10.483 5.792 ( -13.920 0.000 -1.423) 13.993 6.319 ( 11.447 0.000 4.596) 12.335 6.408 ( -1.157 0.000 -0.111) 1.163 6.599 ( 5.715 0.000 6.116) 8.370 7.310 ( 7.807 0.000 1.725) 7.995 7.946 ( -6.626 0.000 -2.986) 7.268 8.244 ( -1.120 0.000 -16.198) 16.237 8.458 ( -6.972 0.000 -4.051) 8.064 8.653 ( 1.637 0.000 5.439) 5.680 8.945 ( -3.798 0.000 7.288) 8.218 9.378 ( 9.057 0.000 -0.367) 9.064 9.381 ( 14.044 0.000 -9.481) 16.944 9.955 ( -2.873 0.000 0.664) 2.949 10.153 ( -1.262 0.000 -0.074) 1.264 10.318 ( -8.389 0.000 -1.140) 8.467 10.379 ( -3.089 0.000 -1.805) 3.578 10.724 ( -2.187 0.000 20.649) 20.765 10.742 ( 4.089 0.000 10.902) 11.643 11.179 ( 17.306 0.000 -15.318) 23.111 11.798 ( 2.346 0.000 2.488) 3.420 12.001 ( -0.619 0.000 -0.888) 1.082 12.052 ( 39.638 0.000 25.972) 47.389 12.473 ( 37.795 0.000 15.753) 40.946 13.558 ( -31.786 0.000 -23.876) 39.755 14.688 ( -6.564 0.000 5.340) 8.462 14.925 ( -3.074 0.000 -0.703) 3.153 15.035 ( -1.668 0.000 1.393) 2.173 15.152 ( -10.323 0.000 0.079) 10.323 16.765 ( 9.150 0.000 2.310) 9.437 16.937 ( 2.138 0.000 -9.613) 9.848 17.020 ( 1.210 0.000 -1.246) 1.737 17.165 ( -1.069 0.000 -0.675) 1.264 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 19.522 0.000 0.458) 19.528 1.636 ( 19.670 0.000 1.028) 19.697 2.121 ( -2.444 0.000 -2.353) 3.392 2.246 ( -12.425 0.000 -0.146) 12.426 2.305 ( -4.834 0.000 3.397) 5.908 2.446 ( 7.182 0.000 3.731) 8.094 2.548 ( -1.544 0.000 1.206) 1.959 2.604 ( -14.965 0.000 -3.499) 15.368 2.634 ( -3.395 0.000 -4.360) 5.526 2.882 ( -6.759 0.000 4.161) 7.937 3.031 ( 22.489 0.000 -4.978) 23.033 3.206 ( -6.654 0.000 -2.503) 7.109 3.292 ( -4.296 0.000 2.679) 5.063 3.427 ( 13.928 0.000 -16.672) 21.725 3.537 ( -6.079 0.000 -2.866) 6.721 3.636 ( 3.549 0.000 4.891) 6.043 3.888 ( 1.181 0.000 1.901) 2.238 4.059 ( -1.324 0.000 -5.305) 5.468 4.139 ( -1.736 0.000 1.978) 2.632 4.212 ( -0.397 0.000 1.633) 1.680 4.627 ( -2.251 0.000 -0.115) 2.254 4.680 ( -2.196 0.000 -2.750) 3.519 4.831 ( -7.454 0.000 5.847) 9.474 4.919 ( -9.338 0.000 -11.307) 14.665 5.065 ( 9.923 0.000 8.855) 13.299 5.191 ( 4.072 0.000 -3.013) 5.065 5.502 ( -11.349 0.000 -3.441) 11.859 5.528 ( -10.904 0.000 -0.268) 10.907 5.848 ( 16.054 0.000 5.554) 16.987 6.332 ( -6.413 0.000 2.008) 6.720 6.539 ( 9.170 0.000 6.518) 11.250 6.691 ( 2.467 0.000 8.464) 8.816 7.457 ( 6.593 0.000 0.184) 6.595 7.774 ( -8.841 0.000 -0.042) 8.841 8.211 ( -0.978 0.000 -9.836) 9.885 8.319 ( -5.863 0.000 -5.218) 7.849 8.699 ( 2.799 0.000 6.340) 6.931 8.857 ( -4.415 0.000 7.516) 8.717 9.597 ( 11.813 0.000 -0.642) 11.831 9.636 ( 10.093 0.000 -8.335) 13.090 9.896 ( -3.415 0.000 -0.502) 3.452 10.109 ( -11.468 0.000 -1.390) 11.551 10.166 ( 2.113 0.000 -3.215) 3.847 10.308 ( -3.572 0.000 -0.765) 3.653 10.732 ( 2.029 0.000 14.253) 14.396 10.797 ( 0.948 0.000 10.951) 10.992 11.630 ( 25.601 0.000 -20.749) 32.954 11.851 ( 2.707 0.000 1.773) 3.236 11.964 ( -2.418 0.000 -0.281) 2.434 12.876 ( -24.834 0.000 -19.079) 31.316 12.928 ( 34.450 0.000 18.798) 39.245 13.331 ( 42.294 0.000 13.172) 44.298 14.372 ( -23.475 0.000 12.975) 26.822 14.786 ( -24.443 0.000 7.178) 25.475 14.910 ( 1.204 0.000 0.152) 1.214 14.994 ( -2.140 0.000 0.914) 2.327 16.938 ( 7.226 0.000 -1.272) 7.337 16.994 ( 2.703 0.000 -8.910) 9.311 17.040 ( 0.522 0.000 -3.226) 3.268 17.130 ( -2.410 0.000 -1.414) 2.794 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -16.620 0.000 0.081) 16.620 1.941 ( 16.620 0.000 0.081) 16.620 1.981 ( -13.118 0.000 -2.978) 13.451 1.981 ( 13.118 0.000 -2.978) 13.451 2.314 ( -10.168 0.000 1.006) 10.218 2.314 ( 10.168 0.000 1.006) 10.218 2.555 ( -3.188 0.000 -4.135) 5.221 2.555 ( 3.188 0.000 -4.135) 5.221 2.687 ( -11.355 0.000 5.372) 12.561 2.687 ( 11.355 0.000 5.372) 12.561 3.132 ( -1.271 0.000 2.471) 2.779 3.132 ( 1.271 0.000 2.471) 2.779 3.425 ( -6.748 0.000 -7.190) 9.860 3.425 ( 6.748 0.000 -7.190) 9.860 3.716 ( -13.017 0.000 -15.548) 20.278 3.716 ( 13.017 0.000 -15.548) 20.278 3.943 ( -21.305 0.000 9.736) 23.424 3.943 ( 21.305 0.000 9.736) 23.424 4.108 ( -2.120 0.000 2.949) 3.632 4.108 ( 2.120 0.000 2.949) 3.632 4.675 ( -6.291 0.000 5.062) 8.075 4.675 ( 6.291 0.000 5.062) 8.075 4.749 ( -7.170 0.000 -11.846) 13.847 4.749 ( 7.170 0.000 -11.846) 13.847 5.264 ( -7.283 0.000 3.021) 7.885 5.264 ( 7.283 0.000 3.021) 7.885 5.334 ( -5.448 0.000 -1.358) 5.615 5.334 ( 5.448 0.000 -1.358) 5.615 6.141 ( -11.873 0.000 4.020) 12.535 6.141 ( 11.873 0.000 4.020) 12.535 6.679 ( -3.859 0.000 8.250) 9.108 6.679 ( 3.859 0.000 8.250) 9.108 7.601 ( -7.569 0.000 -0.032) 7.569 7.601 ( 7.569 0.000 -0.032) 7.569 8.228 ( -2.679 0.000 -6.795) 7.304 8.228 ( 2.679 0.000 -6.795) 7.304 8.769 ( -3.921 0.000 7.099) 8.110 8.769 ( 3.921 0.000 7.099) 8.110 9.800 ( -5.994 0.000 -4.000) 7.206 9.800 ( 5.994 0.000 -4.000) 7.206 9.855 ( -12.658 0.000 -1.075) 12.704 9.855 ( 12.658 0.000 -1.075) 12.704 10.230 ( -3.753 0.000 -3.128) 4.886 10.230 ( 3.753 0.000 -3.128) 4.886 10.782 ( -2.110 0.000 12.286) 12.466 10.782 ( 2.110 0.000 12.286) 12.466 11.908 ( -2.806 0.000 0.769) 2.910 11.908 ( 2.806 0.000 0.769) 2.910 12.218 ( -30.580 0.000 -23.104) 38.326 12.218 ( 30.580 0.000 -23.104) 38.326 13.748 ( -35.909 0.000 18.956) 40.605 13.748 ( 35.909 0.000 18.956) 40.605 14.155 ( -35.868 0.000 10.504) 37.374 14.155 ( 35.868 0.000 10.504) 37.374 14.949 ( -2.184 0.000 0.472) 2.235 14.949 ( 2.184 0.000 0.472) 2.235 17.035 ( -1.127 0.000 -5.970) 6.075 17.035 ( 1.127 0.000 -5.970) 6.075 17.060 ( -4.498 0.000 -1.950) 4.902 17.060 ( 4.498 0.000 -1.950) 4.902 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.000 16.733 13.835) 21.712 0.753 ( 0.000 19.435 18.345) 26.725 1.317 ( 0.000 33.732 30.797) 45.676 1.858 ( 0.000 -2.414 7.299) 7.688 2.307 ( 0.000 -9.396 3.282) 9.953 2.556 ( 0.000 -7.881 -2.656) 8.317 2.799 ( 0.000 5.527 -6.026) 8.177 2.813 ( 0.000 10.496 -10.060) 14.539 2.900 ( 0.000 -3.328 -14.281) 14.664 3.020 ( 0.000 -18.497 -3.220) 18.776 3.288 ( 0.000 7.610 -12.969) 15.037 3.339 ( 0.000 7.834 -11.688) 14.070 3.410 ( 0.000 8.997 -0.917) 9.043 3.427 ( 0.000 10.058 -4.296) 10.937 3.535 ( 0.000 8.594 5.897) 10.423 3.740 ( 0.000 -5.510 -8.310) 9.971 4.079 ( 0.000 -5.667 9.245) 10.844 4.146 ( 0.000 -6.468 -1.353) 6.608 4.213 ( 0.000 -9.816 -1.741) 9.970 4.286 ( 0.000 -11.618 10.095) 15.391 4.656 ( 0.000 -3.492 1.112) 3.665 4.719 ( 0.000 1.692 17.068) 17.152 4.952 ( 0.000 9.508 -5.968) 11.226 5.019 ( 0.000 -13.032 0.893) 13.063 5.216 ( 0.000 15.204 -3.349) 15.568 5.586 ( 0.000 -7.954 -0.348) 7.961 5.642 ( 0.000 7.592 -7.889) 10.948 5.758 ( 0.000 -1.474 -4.601) 4.831 5.973 ( 0.000 4.548 -7.031) 8.374 6.136 ( 0.000 -6.815 0.767) 6.858 6.183 ( 0.000 -0.846 -4.844) 4.917 6.444 ( 0.000 1.446 -0.932) 1.720 7.107 ( 0.000 0.355 11.099) 11.105 7.139 ( 0.000 0.166 3.261) 3.265 8.251 ( 0.000 -0.558 -0.900) 1.059 8.566 ( 0.000 -3.480 0.860) 3.584 8.684 ( 0.000 5.630 4.114) 6.973 9.039 ( 0.000 -1.089 0.303) 1.130 9.078 ( 0.000 4.516 5.505) 7.120 9.348 ( 0.000 9.056 -7.894) 12.014 10.134 ( 0.000 0.448 -11.928) 11.937 10.248 ( 0.000 -6.882 -9.183) 11.476 10.326 ( 0.000 -2.639 -2.117) 3.383 10.499 ( 0.000 -3.121 5.649) 6.454 10.659 ( 0.000 10.932 5.334) 12.164 10.917 ( 0.000 3.660 15.918) 16.334 11.225 ( 0.000 14.018 3.750) 14.511 11.448 ( 0.000 -7.079 18.775) 20.065 11.615 ( 0.000 -6.235 24.648) 25.425 11.652 ( 0.000 -3.288 5.132) 6.095 11.715 ( 0.000 -5.204 4.726) 7.030 14.426 ( 0.000 -23.576 -2.756) 23.736 14.590 ( 0.000 0.877 -6.766) 6.823 14.699 ( 0.000 -0.842 -6.353) 6.409 14.819 ( 0.000 -4.199 -21.153) 21.565 15.130 ( 0.000 1.324 -15.382) 15.439 16.528 ( 0.000 2.440 13.257) 13.479 16.925 ( 0.000 -6.407 7.246) 9.672 17.100 ( 0.000 10.096 0.972) 10.142 17.259 ( 0.000 4.129 2.916) 5.055 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 15.881 12.060 10.087) 22.347 0.887 ( 13.473 15.350 10.774) 23.092 1.665 ( 27.449 23.173 23.621) 42.993 1.918 ( 5.981 -2.850 7.088) 9.702 2.261 ( -3.574 -9.144 4.086) 10.634 2.517 ( -4.946 -9.383 -2.721) 10.950 2.677 ( -6.131 3.157 -7.716) 10.348 2.809 ( -3.304 1.999 -10.186) 10.893 2.984 ( -2.535 -17.428 -4.590) 18.200 3.001 ( 5.120 6.384 -8.126) 11.533 3.197 ( -8.844 7.336 -3.043) 11.887 3.235 ( -7.182 9.212 -10.627) 15.791 3.277 ( -9.615 4.773 -3.275) 11.223 3.404 ( 1.820 7.254 -7.115) 10.323 3.610 ( 6.016 6.067 7.462) 11.344 3.756 ( 0.953 -4.514 -9.989) 11.003 4.016 ( -12.094 -9.919 0.581) 15.652 4.051 ( -6.989 -2.169 6.678) 9.907 4.205 ( 1.223 1.082 -2.725) 3.177 4.346 ( 7.953 -10.922 13.197) 18.886 4.696 ( 3.243 -1.606 2.978) 4.687 4.761 ( -0.374 -0.924 5.847) 5.931 4.852 ( -12.270 2.143 -4.384) 13.205 5.035 ( 5.983 0.893 4.633) 7.620 5.143 ( -12.290 0.301 4.116) 12.965 5.208 ( -3.555 5.567 1.745) 6.832 5.540 ( -4.051 9.262 -1.742) 10.258 5.808 ( 0.352 2.370 -6.155) 6.605 5.999 ( -9.261 -4.449 -3.681) 10.914 6.125 ( 8.799 3.492 1.888) 9.653 6.353 ( 5.449 -4.209 -3.723) 7.827 6.481 ( 3.270 -0.071 1.696) 3.685 7.160 ( 7.451 1.560 4.863) 9.033 7.680 ( 27.399 -15.034 -15.417) 34.848 8.193 ( -4.947 -1.233 -0.610) 5.135 8.522 ( -4.083 -3.994 -0.652) 5.749 8.694 ( 1.036 5.921 4.404) 7.452 9.062 ( -1.022 4.292 5.095) 6.740 9.076 ( 3.750 -1.156 1.604) 4.240 9.395 ( 4.409 8.108 -7.639) 11.981 10.044 ( -5.488 0.276 -3.921) 6.750 10.231 ( -4.472 -1.353 -4.863) 6.744 10.294 ( -0.512 -6.138 -8.045) 10.132 10.537 ( 0.361 -2.360 0.382) 2.418 10.666 ( 2.253 10.190 6.732) 12.419 10.971 ( -8.513 6.441 22.193) 24.627 11.112 ( 1.468 10.999 10.501) 15.277 11.459 ( 20.173 10.705 13.490) 26.524 11.709 ( 5.133 -4.545 5.813) 8.989 11.747 ( 15.501 -1.596 14.759) 21.463 11.932 ( 8.825 -9.558 5.272) 14.036 14.190 ( -23.984 1.269 -19.571) 30.982 14.494 ( 0.290 -25.203 1.740) 25.264 14.764 ( 1.856 -14.113 -4.415) 14.903 14.919 ( 1.922 -2.158 -6.860) 7.444 15.199 ( 2.422 -1.357 -11.122) 11.464 16.612 ( 7.480 2.748 8.626) 11.744 16.939 ( 1.788 -1.041 -0.978) 2.289 17.112 ( 0.982 9.636 0.752) 9.715 17.245 ( -1.039 4.824 1.583) 5.182 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 17.272 4.881 5.597) 18.801 1.247 ( 19.381 5.738 4.507) 20.709 2.023 ( 8.245 -9.011 4.167) 12.905 2.149 ( -6.267 -7.217 2.943) 10.001 2.348 ( 28.934 11.464 12.580) 33.568 2.365 ( -7.944 -8.244 -1.720) 11.577 2.541 ( -7.740 2.308 -5.307) 9.665 2.705 ( -6.018 -1.785 -8.071) 10.225 2.858 ( -9.217 -8.345 -3.507) 12.919 2.957 ( -8.336 8.421 -2.224) 12.056 3.019 ( -10.706 -7.916 1.796) 13.435 3.130 ( -3.051 -5.408 -5.880) 8.551 3.223 ( 7.417 8.206 -12.013) 16.330 3.452 ( 2.090 9.246 -5.357) 10.888 3.629 ( -6.888 -2.343 -0.107) 7.276 3.728 ( -8.947 1.579 -1.095) 9.151 3.846 ( 6.510 4.819 5.814) 9.970 4.017 ( 5.408 -2.130 -0.208) 5.816 4.226 ( 0.702 6.031 -0.511) 6.093 4.476 ( -1.773 6.799 -0.372) 7.036 4.612 ( -3.568 -6.928 0.911) 7.846 4.719 ( -3.859 -1.770 1.008) 4.364 4.785 ( 5.846 -4.849 5.413) 9.327 5.021 ( -4.728 3.137 0.367) 5.686 5.104 ( -0.758 1.088 3.446) 3.692 5.114 ( -4.921 -1.420 -0.155) 5.124 5.568 ( 3.338 1.294 -0.311) 3.593 5.738 ( -13.025 -3.982 -0.900) 13.650 5.787 ( -0.378 9.170 -3.074) 9.679 6.333 ( 10.219 1.319 3.731) 10.958 6.413 ( 0.488 -0.016 -0.839) 0.971 6.574 ( 5.285 -2.280 6.708) 8.839 7.333 ( 8.226 2.374 1.258) 8.654 7.943 ( -1.953 -1.732 -6.531) 7.033 8.118 ( 0.194 -9.038 -7.814) 11.949 8.407 ( -6.514 -4.244 -2.951) 8.316 8.728 ( 2.249 6.783 4.970) 8.704 9.016 ( -2.998 6.692 6.709) 9.939 9.237 ( 10.983 -5.662 -0.395) 12.363 9.518 ( 6.966 4.829 -6.955) 10.964 9.958 ( -2.826 0.370 1.708) 3.323 10.162 ( -2.055 0.516 -6.837) 7.157 10.228 ( -5.578 -6.770 -5.083) 10.138 10.476 ( -5.354 2.361 -0.570) 5.879 10.739 ( 2.985 5.564 8.756) 10.795 10.812 ( -1.586 8.606 20.683) 22.458 11.374 ( 17.034 17.022 -12.417) 27.094 11.729 ( 4.043 -6.385 2.580) 7.985 11.907 ( 0.830 -8.871 0.540) 8.926 12.134 ( 36.020 7.801 24.485) 44.247 12.433 ( 37.157 -3.840 15.590) 40.478 13.614 ( -29.869 5.506 -22.363) 37.717 14.526 ( 2.012 -24.187 2.613) 24.411 14.736 ( -5.490 -14.761 -2.799) 15.996 14.844 ( -7.415 -8.360 4.293) 11.971 15.114 ( -10.836 -3.664 0.631) 11.456 16.798 ( 9.498 3.343 1.728) 10.216 17.001 ( 3.759 4.099 -7.825) 9.600 17.133 ( 0.907 9.131 -0.451) 9.187 17.221 ( -1.344 4.913 -0.006) 5.094 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 13.522 -5.258 3.623) 14.954 1.642 ( 17.781 -1.408 1.479) 17.898 1.983 ( -8.649 -8.926 1.971) 12.584 2.180 ( 4.033 -14.451 -1.063) 15.040 2.268 ( 0.907 -1.794 -1.880) 2.752 2.364 ( -7.453 3.630 -0.976) 8.347 2.529 ( -10.464 -5.416 1.253) 11.850 2.578 ( -8.611 -4.820 -5.833) 11.463 2.664 ( -6.769 -0.084 -1.180) 6.872 2.800 ( -9.619 -7.781 2.041) 12.539 3.055 ( 8.853 -2.194 -4.118) 10.007 3.132 ( 8.605 -5.461 0.761) 10.220 3.302 ( -2.466 1.534 -0.344) 2.924 3.524 ( 11.304 13.757 -5.086) 18.517 3.550 ( -6.595 9.035 -3.425) 11.698 3.650 ( 8.689 4.236 -4.066) 10.487 4.002 ( 4.115 6.583 5.504) 9.516 4.132 ( 2.567 2.605 -4.830) 6.058 4.252 ( -0.214 8.793 -0.033) 8.796 4.308 ( -6.645 3.750 -10.969) 13.362 4.616 ( -1.317 -0.522 2.420) 2.804 4.655 ( -2.170 1.711 -0.252) 2.775 4.840 ( -7.531 0.732 -0.172) 7.569 4.967 ( 8.449 -7.116 8.433) 13.897 4.980 ( -6.404 3.047 2.449) 7.503 5.146 ( 4.601 -4.201 -3.162) 6.987 5.432 ( -12.145 -6.723 1.650) 13.979 5.496 ( -10.177 -2.765 -3.268) 11.041 5.965 ( 12.630 10.294 3.993) 16.776 6.362 ( -4.912 2.655 1.387) 5.754 6.535 ( 8.285 -0.369 5.948) 10.205 6.665 ( 2.629 -2.603 8.420) 9.197 7.489 ( 6.956 3.204 -0.330) 7.666 7.804 ( -8.335 3.037 -0.654) 8.895 8.136 ( 0.951 -6.968 -8.083) 10.714 8.274 ( -5.828 -4.081 -4.581) 8.462 8.786 ( 3.281 7.988 5.643) 10.316 8.944 ( -3.864 8.128 6.867) 11.320 9.491 ( 12.649 -7.224 -1.435) 14.637 9.659 ( 5.948 0.239 -4.916) 7.721 9.907 ( -2.524 0.465 0.552) 2.625 10.051 ( -9.353 -4.211 -5.783) 11.774 10.173 ( 1.520 -1.193 -4.530) 4.925 10.354 ( -5.885 1.782 -0.159) 6.151 10.782 ( 2.298 6.247 12.950) 14.561 10.835 ( 1.195 5.832 10.566) 12.128 11.736 ( 10.782 0.908 -5.100) 11.962 11.859 ( 15.688 9.418 -11.830) 21.790 11.887 ( -1.903 -7.464 0.387) 7.713 12.948 ( 2.077 6.288 -1.725) 6.843 12.974 ( 11.845 4.963 3.727) 13.372 13.299 ( 38.640 -2.707 11.223) 40.328 14.389 ( -22.367 1.175 11.572) 25.211 14.614 ( 0.817 -26.196 0.234) 26.209 14.685 ( -14.466 -16.815 1.793) 22.254 14.804 ( -12.098 -9.466 5.812) 16.425 16.978 ( 7.472 3.854 -1.551) 8.549 17.078 ( 3.341 6.247 -7.546) 10.350 17.144 ( -0.087 8.182 -2.417) 8.532 17.183 ( -2.396 5.051 -1.330) 5.747 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -9.608 -15.450 2.793) 18.407 1.742 ( 9.608 -15.450 2.793) 18.407 2.031 ( -13.914 3.467 -2.985) 14.647 2.031 ( 13.914 3.467 -2.985) 14.647 2.336 ( -5.163 -5.091 2.096) 7.547 2.336 ( 5.163 -5.091 2.096) 7.547 2.409 ( -8.761 -8.572 -4.463) 13.044 2.409 ( 8.761 -8.572 -4.463) 13.044 2.634 ( -5.375 -1.979 2.383) 6.204 2.634 ( 5.375 -1.979 2.383) 6.204 3.136 ( -4.477 -8.928 1.186) 10.058 3.136 ( 4.477 -8.928 1.186) 10.058 3.415 ( -7.018 11.086 -6.624) 14.698 3.415 ( 7.018 11.086 -6.624) 14.698 3.800 ( -7.135 5.945 -10.198) 13.793 3.800 ( 7.135 5.945 -10.198) 13.793 4.051 ( -13.062 10.078 6.558) 17.753 4.051 ( 13.062 10.078 6.558) 17.753 4.212 ( -2.691 4.357 -3.214) 6.046 4.212 ( 2.691 4.357 -3.214) 6.046 4.622 ( -1.919 0.645 -5.193) 5.574 4.622 ( 1.919 0.645 -5.193) 5.574 4.822 ( -5.394 2.907 2.735) 6.711 4.822 ( 5.394 2.907 2.735) 6.711 5.192 ( -10.998 -7.841 7.026) 15.225 5.192 ( 10.998 -7.841 7.026) 15.225 5.289 ( -8.791 -3.259 -3.750) 10.098 5.289 ( 8.791 -3.259 -3.750) 10.098 6.206 ( -9.911 5.993 3.250) 12.029 6.206 ( 9.911 5.993 3.250) 12.029 6.660 ( -3.307 -1.878 7.838) 8.712 6.660 ( 3.307 -1.878 7.838) 8.712 7.636 ( -7.566 3.564 -0.552) 8.382 7.636 ( 7.566 3.564 -0.552) 8.382 8.177 ( -3.321 -4.712 -5.923) 8.265 8.177 ( 3.321 -4.712 -5.923) 8.265 8.862 ( -3.904 8.626 6.366) 11.409 8.862 ( 3.904 8.626 6.366) 11.409 9.708 ( -4.818 -6.470 -1.190) 8.154 9.708 ( 4.818 -6.470 -1.190) 8.154 9.880 ( -3.125 0.362 -4.488) 5.481 9.880 ( 3.125 0.362 -4.488) 5.481 10.242 ( -4.719 -0.164 -2.347) 5.273 10.242 ( 4.719 -0.164 -2.347) 5.273 10.829 ( -1.658 5.876 11.067) 12.639 10.829 ( 1.658 5.876 11.067) 12.639 11.834 ( -3.004 -6.983 1.149) 7.688 11.834 ( 3.004 -6.983 1.149) 7.688 12.360 ( -27.790 13.397 -21.444) 37.571 12.360 ( 27.790 13.397 -21.444) 37.571 13.773 ( -35.241 2.245 18.056) 39.661 13.773 ( 35.241 2.245 18.056) 39.661 14.101 ( -34.874 -5.578 9.127) 36.478 14.101 ( 34.874 -5.578 9.127) 36.478 14.687 ( -3.819 -23.035 1.164) 23.379 14.687 ( 3.819 -23.035 1.164) 23.379 17.101 ( -4.060 4.330 -2.214) 6.335 17.101 ( 4.060 4.330 -2.214) 6.335 17.135 ( -1.643 7.538 -4.847) 9.111 17.135 ( 1.643 7.538 -4.847) 9.111 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 20.746 5.780) 21.536 1.187 ( 0.000 22.692 11.293) 25.347 1.725 ( 0.000 -11.327 5.149) 12.443 1.985 ( 0.000 3.684 8.492) 9.257 2.089 ( 0.000 15.630 12.870) 20.247 2.416 ( 0.000 -4.644 -5.005) 6.827 2.633 ( 0.000 -14.774 -7.110) 16.395 2.861 ( 0.000 0.346 -15.349) 15.353 2.998 ( 0.000 9.558 -4.496) 10.562 3.113 ( 0.000 15.510 -14.015) 20.904 3.332 ( 0.000 -5.139 -4.143) 6.601 3.349 ( 0.000 -0.085 -2.432) 2.434 3.568 ( 0.000 1.379 -7.748) 7.870 3.604 ( 0.000 1.257 -5.506) 5.648 3.673 ( 0.000 -1.404 9.412) 9.516 3.732 ( 0.000 9.043 -7.902) 12.009 3.852 ( 0.000 -10.655 0.391) 10.662 3.888 ( 0.000 -10.224 11.450) 15.350 4.145 ( 0.000 0.665 -4.030) 4.084 4.235 ( 0.000 4.314 3.409) 5.498 4.444 ( 0.000 -13.309 2.737) 13.588 4.714 ( 0.000 -15.253 5.323) 16.155 4.741 ( 0.000 1.312 16.740) 16.792 4.973 ( 0.000 -7.787 11.550) 13.930 5.516 ( 0.000 13.892 -3.423) 14.307 5.544 ( 0.000 4.170 -12.006) 12.710 5.717 ( 0.000 -2.517 -5.267) 5.838 5.824 ( 0.000 7.708 -8.004) 11.112 5.985 ( 0.000 -8.288 -0.437) 8.299 6.031 ( 0.000 -0.602 -10.190) 10.208 6.211 ( 0.000 4.868 -0.239) 4.874 6.426 ( 0.000 -2.959 -0.405) 2.987 7.122 ( 0.000 0.916 8.495) 8.544 7.142 ( 0.000 0.028 4.389) 4.389 8.277 ( 0.000 3.065 0.084) 3.066 8.474 ( 0.000 -5.381 0.713) 5.428 8.818 ( 0.000 6.950 3.603) 7.829 9.006 ( 0.000 -2.349 0.901) 2.516 9.200 ( 0.000 7.383 3.943) 8.370 9.435 ( 0.000 -0.333 -1.965) 1.993 10.122 ( 0.000 -4.302 -11.469) 12.249 10.134 ( 0.000 -1.018 -13.701) 13.739 10.284 ( 0.000 -0.403 1.434) 1.489 10.417 ( 0.000 -4.733 5.111) 6.966 10.902 ( 0.000 11.429 0.731) 11.453 11.002 ( 0.000 4.170 12.139) 12.835 11.270 ( 0.000 1.028 14.195) 14.232 11.499 ( 0.000 -1.098 19.017) 19.048 11.548 ( 0.000 -7.949 6.495) 10.265 11.588 ( 0.000 -5.835 7.394) 9.419 11.929 ( 0.000 36.710 6.328) 37.252 13.706 ( 0.000 -43.893 2.435) 43.961 14.614 ( 0.000 1.433 -6.657) 6.809 14.676 ( 0.000 -1.401 -6.524) 6.673 14.844 ( 0.000 4.374 -22.906) 23.320 15.076 ( 0.000 -5.308 -18.405) 19.155 16.601 ( 0.000 4.727 12.056) 12.950 16.816 ( 0.000 -5.256 9.437) 10.802 17.286 ( 0.000 7.208 1.514) 7.366 17.337 ( 0.000 3.291 3.043) 4.483 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 8.348 16.877 5.420) 19.593 1.260 ( 6.975 20.492 7.476) 22.901 1.756 ( 2.415 -11.107 4.751) 12.320 2.011 ( 0.317 -13.506 4.210) 14.150 2.243 ( 11.117 21.966 9.654) 26.444 2.370 ( -0.955 1.211 -1.003) 1.840 2.589 ( -4.237 -16.253 -4.645) 17.427 2.762 ( -8.476 2.518 -9.238) 12.788 2.896 ( -5.493 7.927 -12.540) 15.820 3.125 ( -7.048 0.312 -2.171) 7.381 3.232 ( -5.633 0.739 -10.426) 11.873 3.350 ( -8.664 3.784 4.855) 10.628 3.467 ( -4.565 5.376 -6.417) 9.535 3.516 ( -0.649 0.771 -6.019) 6.102 3.652 ( 1.231 -4.904 -7.207) 8.804 3.682 ( -0.604 -2.474 1.859) 3.153 3.844 ( 1.276 0.011 2.424) 2.739 4.104 ( 9.340 -0.301 4.781) 10.497 4.161 ( -1.056 2.741 10.033) 10.455 4.250 ( 5.390 2.671 -6.179) 8.623 4.496 ( 3.468 -12.017 3.127) 12.892 4.642 ( -5.196 -11.327 4.531) 13.260 4.787 ( 1.459 -3.172 10.622) 11.181 4.939 ( -2.950 -9.420 7.875) 12.627 5.324 ( -9.177 12.697 -6.041) 16.791 5.451 ( -6.226 12.952 -1.778) 14.481 5.613 ( -5.452 -1.531 -4.709) 7.365 5.863 ( -7.551 -6.341 -2.976) 10.299 5.939 ( 3.367 6.969 -3.365) 8.439 6.198 ( 8.620 -0.281 -3.387) 9.265 6.274 ( 5.457 0.329 -0.422) 5.484 6.456 ( 2.522 -2.719 1.646) 4.058 7.208 ( 8.776 3.198 3.842) 10.100 7.429 ( 19.857 -9.332 -2.643) 22.099 8.219 ( -5.253 3.293 0.100) 6.200 8.424 ( -4.538 -5.580 -0.393) 7.203 8.834 ( 1.603 7.187 3.848) 8.309 9.030 ( 2.655 -2.675 1.268) 3.977 9.203 ( 0.079 8.284 4.500) 9.428 9.469 ( 3.138 -0.847 -1.875) 3.753 10.050 ( -4.060 0.360 -7.428) 8.473 10.153 ( -0.466 -4.240 -13.396) 14.058 10.242 ( -3.628 0.203 -0.493) 3.667 10.424 ( -0.063 -6.801 2.770) 7.343 10.941 ( 2.829 14.369 2.018) 14.783 11.130 ( 1.498 8.144 13.465) 15.808 11.296 ( 10.853 6.266 9.622) 15.800 11.543 ( 2.978 -3.029 7.435) 8.562 11.572 ( 8.142 -8.506 10.014) 15.457 11.736 ( 12.699 -7.980 10.787) 18.474 12.052 ( 11.820 31.853 10.089) 35.441 13.736 ( 2.793 -42.601 2.184) 42.748 14.291 ( -22.578 4.191 -15.993) 27.984 14.543 ( -9.241 -8.524 -7.718) 14.752 14.940 ( 1.454 3.049 -7.539) 8.261 15.125 ( 0.626 -5.055 -9.520) 10.797 16.692 ( 7.980 4.976 7.368) 11.947 16.892 ( 6.466 -3.714 2.851) 7.984 17.292 ( 0.465 6.946 1.255) 7.074 17.334 ( -0.334 3.647 2.305) 4.328 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 8.136 8.035 6.233) 13.024 1.452 ( 10.179 14.271 3.075) 17.797 1.795 ( 1.023 -13.206 2.342) 13.451 2.004 ( -1.984 -7.207 3.405) 8.214 2.159 ( -6.562 -8.764 -2.541) 11.239 2.446 ( -10.209 -21.320 0.346) 23.641 2.587 ( 0.050 2.463 -6.079) 6.559 2.633 ( 0.847 7.587 -3.451) 8.378 2.750 ( -8.854 3.343 -10.226) 13.933 2.902 ( -7.426 0.817 2.014) 7.737 3.090 ( -5.008 3.797 -2.103) 6.627 3.146 ( -8.174 4.720 6.010) 11.190 3.354 ( -3.936 2.812 -5.709) 7.482 3.616 ( 2.158 2.466 -4.918) 5.910 3.652 ( 7.273 2.857 -1.986) 8.063 3.772 ( 3.642 2.732 -14.808) 15.492 3.969 ( 9.653 6.224 3.574) 12.029 4.074 ( -0.238 7.655 5.792) 9.602 4.332 ( 6.730 -5.164 5.995) 10.387 4.365 ( 6.056 5.110 -3.049) 8.490 4.485 ( -7.748 -7.324 -1.617) 10.783 4.590 ( 4.696 -10.451 4.537) 12.323 4.785 ( -0.922 -2.095 8.573) 8.874 4.918 ( 1.866 -8.491 -1.139) 8.768 5.191 ( -7.902 9.109 -1.443) 12.145 5.275 ( -9.359 10.466 1.238) 14.094 5.521 ( -5.915 -4.973 -3.788) 8.606 5.621 ( -13.068 -6.873 0.542) 14.775 6.037 ( 6.306 12.881 0.874) 14.368 6.358 ( 6.599 -0.857 0.270) 6.659 6.398 ( 5.849 0.123 1.531) 6.048 6.517 ( 3.290 -3.248 6.189) 7.725 7.410 ( 9.561 5.462 -0.170) 11.013 7.773 ( 11.624 -12.116 -7.418) 18.356 8.081 ( -7.467 3.575 -0.136) 8.280 8.304 ( -6.559 -5.864 -2.212) 9.072 8.887 ( 3.583 8.198 4.136) 9.857 9.133 ( 7.102 -3.799 1.100) 8.128 9.198 ( -0.280 9.615 5.285) 10.975 9.551 ( 4.247 -2.427 -1.411) 5.091 9.977 ( -2.871 1.591 -2.993) 4.442 10.108 ( -4.170 -3.463 -10.546) 11.857 10.158 ( -3.652 -0.603 -3.598) 5.162 10.388 ( -3.483 -8.027 0.489) 8.764 10.992 ( 1.805 15.766 4.496) 16.494 11.058 ( -2.663 14.913 14.749) 21.142 11.550 ( 2.486 -10.553 3.347) 11.347 11.672 ( 1.987 -13.471 3.278) 14.006 11.776 ( 23.634 19.341 -6.018) 31.127 12.275 ( 35.352 -4.053 12.543) 37.729 12.444 ( 26.939 17.185 19.974) 37.682 13.757 ( -17.728 0.825 -14.688) 23.037 13.850 ( -1.964 -30.973 -0.906) 31.049 14.355 ( -8.887 -18.965 -7.554) 22.264 14.837 ( -11.286 2.943 4.544) 12.518 15.021 ( -10.929 -5.267 1.647) 12.243 16.889 ( 9.948 5.287 0.665) 11.286 17.042 ( 7.222 -0.379 -4.370) 8.450 17.299 ( 0.019 6.203 0.424) 6.217 17.322 ( -0.825 4.370 0.623) 4.491 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 2.712 -2.037 7.841) 8.543 1.577 ( -1.664 -1.350 2.327) 3.163 1.816 ( 1.735 -18.059 0.279) 18.145 1.943 ( 3.087 2.656 1.729) 4.424 2.145 ( -8.907 -21.371 -1.041) 23.176 2.207 ( 0.849 -9.206 0.573) 9.262 2.445 ( -12.468 1.905 -4.643) 13.440 2.580 ( -0.469 5.222 -2.860) 5.972 2.597 ( -6.670 -4.647 -5.642) 9.895 2.754 ( -5.251 1.120 -3.558) 6.441 2.974 ( -5.774 -1.575 1.893) 6.278 3.085 ( -4.916 -3.077 5.302) 7.858 3.462 ( 12.578 12.154 -4.835) 18.147 3.693 ( 2.343 4.422 -13.150) 14.070 3.807 ( 2.428 10.485 -11.483) 15.738 3.831 ( 11.025 9.152 -1.040) 14.366 4.134 ( 3.878 3.018 1.252) 5.071 4.172 ( 7.498 6.080 -0.308) 9.658 4.291 ( -6.755 0.864 -9.322) 11.545 4.445 ( 3.065 8.543 -3.264) 9.645 4.505 ( 5.774 -6.703 4.654) 9.996 4.720 ( 6.845 -7.857 9.806) 14.309 4.781 ( -0.364 -4.652 4.096) 6.209 4.912 ( -9.330 5.741 1.793) 11.101 5.031 ( 3.312 -5.931 -1.786) 7.024 5.097 ( -8.923 7.777 3.474) 12.335 5.273 ( -14.138 -8.292 3.929) 16.855 5.413 ( -9.371 -5.625 -2.268) 11.163 6.200 ( 8.464 12.036 3.825) 15.203 6.420 ( -0.638 2.636 1.101) 2.927 6.523 ( 5.604 -0.926 4.577) 7.295 6.587 ( 2.762 -5.134 8.030) 9.923 7.588 ( 7.673 6.693 -1.707) 10.324 7.883 ( -4.200 2.962 -3.266) 6.090 7.971 ( 1.544 -7.164 -3.780) 8.246 8.168 ( -6.211 -6.261 -3.526) 9.498 8.978 ( 4.922 10.249 4.225) 12.129 9.154 ( -2.626 12.261 5.140) 13.551 9.340 ( 10.708 -7.721 0.153) 13.202 9.618 ( 1.138 -6.020 -0.106) 6.128 9.922 ( -2.543 1.376 -3.347) 4.423 9.993 ( -5.695 1.481 -5.096) 7.784 10.121 ( 0.429 -4.189 -5.648) 7.045 10.289 ( -5.611 -7.337 -0.202) 9.239 11.016 ( 1.039 15.709 8.401) 17.844 11.045 ( 0.255 14.120 8.963) 16.726 11.595 ( 2.207 -10.928 3.293) 11.625 11.672 ( -1.050 -13.622 2.851) 13.957 12.262 ( 22.446 25.762 -16.771) 38.063 13.040 ( 30.456 -2.932 5.500) 31.087 13.100 ( 24.401 8.046 13.391) 28.974 13.321 ( -3.541 9.839 -7.768) 13.026 13.971 ( 7.831 -34.338 3.816) 35.425 14.161 ( -10.182 -25.713 -7.408) 28.630 14.479 ( -22.948 2.911 12.558) 26.320 14.679 ( -21.364 -5.705 9.366) 24.014 17.076 ( 7.729 5.337 -2.125) 9.630 17.173 ( 5.190 2.477 -5.508) 7.963 17.279 ( -2.091 5.016 -0.715) 5.482 17.302 ( -1.149 5.059 -1.633) 5.439 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -4.659 -8.064 6.081) 11.123 1.472 ( 4.659 -8.064 6.081) 11.123 1.902 ( -8.065 -22.762 1.130) 24.175 1.902 ( 8.065 -22.762 1.130) 24.175 2.158 ( -13.589 4.801 -1.977) 14.547 2.158 ( 13.589 4.801 -1.977) 14.547 2.388 ( -10.619 -3.045 -5.335) 12.268 2.388 ( 10.619 -3.045 -5.335) 12.268 2.663 ( -5.713 5.467 2.231) 8.216 2.663 ( 5.713 5.467 2.231) 8.216 2.963 ( -4.703 -7.664 2.100) 9.234 2.963 ( 4.703 -7.664 2.100) 9.234 3.651 ( -5.369 10.314 -12.118) 16.794 3.651 ( 5.369 10.314 -12.118) 16.794 3.923 ( -5.658 2.314 -12.715) 14.108 3.923 ( 5.658 2.314 -12.715) 14.108 4.233 ( -2.446 4.736 -7.314) 9.050 4.233 ( 2.446 4.736 -7.314) 9.050 4.320 ( -12.504 14.894 10.111) 21.919 4.320 ( 12.504 14.894 10.111) 21.919 4.638 ( -6.013 -4.496 -6.161) 9.713 4.638 ( 6.013 -4.496 -6.161) 9.713 4.885 ( -10.319 2.572 9.865) 14.506 4.885 ( 10.319 2.572 9.865) 14.506 4.984 ( -9.717 -8.880 7.155) 14.982 4.984 ( 9.717 -8.880 7.155) 14.982 5.212 ( -8.933 -4.889 -1.832) 10.347 5.212 ( 8.933 -4.889 -1.832) 10.347 6.352 ( -5.629 7.865 3.232) 10.198 6.352 ( 5.629 7.865 3.232) 10.198 6.602 ( -1.638 -4.008 6.640) 7.927 6.602 ( 1.638 -4.008 6.640) 7.927 7.741 ( -7.326 6.711 -1.787) 10.094 7.741 ( 7.326 6.711 -1.787) 10.094 8.053 ( -4.850 -7.424 -4.454) 9.924 8.053 ( 4.850 -7.424 -4.454) 9.924 9.079 ( -4.495 12.264 4.618) 13.854 9.079 ( 4.495 12.264 4.618) 13.854 9.548 ( -7.948 -9.773 0.001) 12.597 9.548 ( 7.948 -9.773 0.001) 12.597 9.908 ( -2.032 3.602 -4.436) 6.065 9.908 ( 2.032 3.602 -4.436) 6.065 10.178 ( -4.592 -6.191 -2.149) 8.002 10.178 ( 4.592 -6.191 -2.149) 8.002 11.039 ( -0.895 14.376 8.184) 16.566 11.039 ( 0.895 14.376 8.184) 16.566 11.639 ( -1.946 -12.371 2.892) 12.852 11.639 ( 1.946 -12.371 2.892) 12.852 12.727 ( -22.709 22.923 -18.207) 37.049 12.727 ( 22.709 22.923 -18.207) 37.049 13.761 ( -19.683 -12.892 2.117) 23.624 13.761 ( 19.683 -12.892 2.117) 23.624 13.938 ( -21.798 -4.290 11.504) 25.018 13.938 ( 21.798 -4.290 11.504) 25.018 14.229 ( -17.328 -17.046 11.149) 26.742 14.229 ( 17.328 -17.046 11.149) 26.742 17.203 ( -4.328 5.244 -2.145) 7.130 17.203 ( 4.328 5.244 -2.145) 7.130 17.264 ( -2.524 4.064 -3.685) 6.039 17.264 ( 2.524 4.064 -3.685) 6.039 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 -17.748 3.845) 18.160 1.412 ( 0.000 17.748 3.845) 18.160 1.638 ( 0.000 -20.453 8.093) 21.996 1.638 ( 0.000 20.453 8.093) 21.996 2.415 ( 0.000 -4.786 -6.210) 7.841 2.415 ( 0.000 4.786 -6.210) 7.841 2.696 ( 0.000 -22.269 -2.836) 22.449 2.696 ( 0.000 22.269 -2.836) 22.449 3.158 ( 0.000 -6.696 -0.918) 6.759 3.158 ( 0.000 6.696 -0.918) 6.759 3.359 ( 0.000 -5.217 -13.259) 14.249 3.359 ( 0.000 5.217 -13.259) 14.249 3.493 ( 0.000 -4.830 -3.943) 6.235 3.493 ( 0.000 4.830 -3.943) 6.235 3.736 ( 0.000 -5.559 6.605) 8.633 3.736 ( 0.000 5.559 6.605) 8.633 3.820 ( 0.000 -0.564 2.872) 2.927 3.820 ( 0.000 0.564 2.872) 2.927 4.230 ( 0.000 -6.973 -4.978) 8.567 4.230 ( 0.000 6.973 -4.978) 8.567 4.420 ( 0.000 -13.511 6.152) 14.846 4.420 ( 0.000 13.511 6.152) 14.846 4.810 ( 0.000 -6.328 15.386) 16.637 4.810 ( 0.000 6.328 15.386) 16.637 5.638 ( 0.000 -3.880 -8.389) 9.243 5.638 ( 0.000 3.880 -8.389) 9.243 5.777 ( 0.000 -10.550 -2.613) 10.869 5.777 ( 0.000 10.550 -2.613) 10.869 5.967 ( 0.000 -4.843 -7.843) 9.218 5.967 ( 0.000 4.843 -7.843) 9.218 6.333 ( 0.000 -6.043 -0.546) 6.067 6.333 ( 0.000 6.043 -0.546) 6.067 7.137 ( 0.000 -0.492 6.169) 6.189 7.137 ( 0.000 0.492 6.169) 6.189 8.364 ( 0.000 -5.294 0.501) 5.317 8.364 ( 0.000 5.294 0.501) 5.317 8.937 ( 0.000 -4.722 2.334) 5.268 8.937 ( 0.000 4.722 2.334) 5.268 9.352 ( 0.000 -6.969 2.235) 7.319 9.352 ( 0.000 6.969 2.235) 7.319 10.099 ( 0.000 -1.424 -13.949) 14.021 10.099 ( 0.000 1.424 -13.949) 14.021 10.325 ( 0.000 -3.920 3.819) 5.472 10.325 ( 0.000 3.920 3.819) 5.472 11.043 ( 0.000 -1.631 4.436) 4.727 11.043 ( 0.000 1.631 4.436) 4.727 11.367 ( 0.000 -8.326 9.498) 12.631 11.367 ( 0.000 8.326 9.498) 12.631 11.503 ( 0.000 -2.384 14.331) 14.528 11.503 ( 0.000 2.384 14.331) 14.528 12.784 ( 0.000 -46.446 4.085) 46.626 12.784 ( 0.000 46.446 4.085) 46.626 14.645 ( 0.000 -1.623 -6.574) 6.771 14.645 ( 0.000 1.623 -6.574) 6.771 14.955 ( 0.000 -6.256 -20.582) 21.512 14.955 ( 0.000 6.256 -20.582) 21.512 16.707 ( 0.000 -5.566 10.863) 12.206 16.707 ( 0.000 5.566 10.863) 12.206 17.367 ( 0.000 -0.899 2.173) 2.351 17.367 ( 0.000 0.899 2.173) 2.351 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 3.718 -16.454 3.707) 17.271 1.458 ( 3.718 16.454 3.707) 17.271 1.673 ( 3.359 -18.883 5.691) 20.006 1.673 ( 3.359 18.883 5.691) 20.006 2.345 ( -6.956 -6.505 -5.107) 10.806 2.345 ( -6.956 6.505 -5.107) 10.806 2.745 ( 1.034 -11.148 -5.920) 12.665 2.745 ( 1.034 11.148 -5.920) 12.665 3.051 ( -8.837 -7.835 -3.905) 12.439 3.051 ( -8.837 7.835 -3.905) 12.439 3.246 ( -2.941 -7.174 1.542) 7.906 3.246 ( -2.941 7.174 1.542) 7.906 3.532 ( -9.462 -0.973 -0.973) 9.562 3.532 ( -9.462 0.973 -0.973) 9.562 3.597 ( 3.834 -2.617 -6.615) 8.081 3.597 ( 3.834 2.617 -6.615) 8.081 4.007 ( 10.218 -11.364 4.495) 15.930 4.007 ( 10.218 11.364 4.495) 15.930 4.278 ( 2.671 -1.995 -2.513) 4.175 4.278 ( 2.671 1.995 -2.513) 4.175 4.417 ( 0.525 -8.152 3.694) 8.965 4.417 ( 0.525 8.152 3.694) 8.965 4.785 ( -2.064 -4.124 11.381) 12.280 4.785 ( -2.064 4.124 11.381) 12.280 5.522 ( -6.729 -7.116 -5.772) 11.368 5.522 ( -6.729 7.116 -5.772) 11.368 5.686 ( -8.088 -10.373 -2.052) 13.313 5.686 ( -8.088 10.373 -2.052) 13.313 6.093 ( 7.846 -7.094 -3.904) 11.275 6.093 ( 7.846 7.094 -3.904) 11.275 6.371 ( 3.290 -5.554 0.913) 6.519 6.371 ( 3.290 5.554 0.913) 6.519 7.290 ( 12.531 -5.179 1.783) 13.676 7.290 ( 12.531 5.179 1.783) 13.676 8.310 ( -4.845 -5.484 -0.133) 7.319 8.310 ( -4.845 5.484 -0.133) 7.319 8.957 ( 2.047 -4.863 2.583) 5.875 8.957 ( 2.047 4.863 2.583) 5.875 9.373 ( 1.790 -7.847 2.647) 8.473 9.373 ( 1.790 7.847 2.647) 8.473 10.081 ( -1.647 -2.973 -12.702) 13.149 10.081 ( -1.647 2.973 -12.702) 13.149 10.298 ( -2.494 -5.143 2.422) 6.207 10.298 ( -2.494 5.143 2.422) 6.207 11.179 ( 8.955 -7.201 2.009) 11.666 11.179 ( 8.955 7.201 2.009) 11.666 11.386 ( 0.790 -7.493 8.953) 11.701 11.386 ( 0.790 7.493 8.953) 11.701 11.585 ( 12.277 -6.414 15.280) 20.624 11.585 ( 12.277 6.414 15.280) 20.624 12.844 ( 5.765 -44.413 4.732) 45.035 12.844 ( 5.765 44.413 4.732) 45.035 14.399 ( -17.590 -6.258 -12.249) 22.330 14.399 ( -17.590 6.258 -12.249) 22.330 15.021 ( 0.897 -4.907 -8.463) 9.824 15.021 ( 0.897 4.907 -8.463) 9.824 16.798 ( 7.979 -5.343 5.657) 11.145 16.798 ( 7.979 5.343 5.657) 11.145 17.368 ( 0.084 -0.723 1.772) 1.916 17.368 ( 0.084 0.723 1.772) 1.916 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.945 -13.360 3.639) 13.879 1.519 ( 0.945 13.360 3.639) 13.879 1.772 ( 5.356 -16.069 2.781) 17.165 1.772 ( 5.356 16.069 2.781) 17.165 2.137 ( -11.817 -7.621 -0.449) 14.068 2.137 ( -11.817 7.621 -0.449) 14.068 2.627 ( -8.232 -3.177 -7.873) 11.825 2.627 ( -8.232 3.177 -7.873) 11.825 2.877 ( -9.318 -5.769 -9.002) 14.182 2.877 ( -9.318 5.769 -9.002) 14.182 3.193 ( -7.099 -2.575 7.621) 10.729 3.193 ( -7.099 2.575 7.621) 10.729 3.483 ( 8.471 -12.117 -1.212) 14.834 3.483 ( 8.471 12.117 -1.212) 14.834 3.725 ( 8.700 -6.352 -7.901) 13.359 3.725 ( 8.700 6.352 -7.901) 13.359 4.138 ( 1.295 -7.709 -1.823) 8.027 4.138 ( 1.295 7.709 -1.823) 8.027 4.344 ( 5.231 -7.596 3.682) 9.931 4.344 ( 5.231 7.596 3.682) 9.931 4.455 ( 2.606 -3.210 1.895) 4.548 4.455 ( 2.606 3.210 1.895) 4.548 4.762 ( 0.725 -4.519 5.221) 6.944 4.762 ( 0.725 4.519 5.221) 6.944 5.381 ( -9.123 -8.306 -3.720) 12.887 5.381 ( -9.123 8.306 -3.720) 12.887 5.469 ( -11.107 -8.210 0.816) 13.836 5.469 ( -11.107 8.210 0.816) 13.836 6.253 ( 7.761 -8.365 1.355) 11.491 6.253 ( 7.761 8.365 1.355) 11.491 6.449 ( 3.707 -3.432 3.344) 6.058 6.449 ( 3.707 3.432 3.344) 6.058 7.556 ( 11.518 -9.171 -2.768) 14.981 7.556 ( 11.518 9.171 -2.768) 14.981 8.183 ( -6.981 -5.975 -1.302) 9.281 8.183 ( -6.981 5.975 -1.302) 9.281 9.031 ( 5.308 -6.078 2.563) 8.467 9.031 ( 5.308 6.078 2.563) 8.467 9.412 ( 1.585 -10.255 3.407) 10.921 9.412 ( 1.585 10.255 3.407) 10.921 10.035 ( -2.516 -4.067 -10.442) 11.485 10.035 ( -2.516 4.067 -10.442) 11.485 10.226 ( -4.429 -7.072 0.842) 8.387 10.226 ( -4.429 7.072 0.842) 8.387 11.291 ( 2.809 -11.907 3.508) 12.727 11.291 ( 2.809 11.907 3.508) 12.727 11.379 ( -0.880 -13.452 7.853) 15.601 11.379 ( -0.880 13.452 7.853) 15.601 12.095 ( 33.013 -12.169 6.770) 35.830 12.095 ( 33.013 12.169 6.770) 35.830 13.027 ( 12.181 -37.543 8.006) 40.273 13.027 ( 12.181 37.543 8.006) 40.273 14.021 ( -18.004 -14.364 -13.200) 26.547 14.021 ( -18.004 14.364 -13.200) 26.547 14.918 ( -11.055 -4.820 3.065) 12.443 14.918 ( -11.055 4.820 3.065) 12.443 16.990 ( 9.487 -4.359 -1.235) 10.513 16.990 ( 9.487 4.359 -1.235) 10.513 17.366 ( -0.460 -0.479 0.654) 0.933 17.366 ( -0.460 0.479 0.654) 0.933 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -2.252 -10.833 4.437) 11.921 1.490 ( -2.252 10.833 4.437) 11.921 1.725 ( -11.646 -15.267 4.560) 19.736 1.725 ( -11.646 15.267 4.560) 19.736 2.061 ( 7.610 -7.138 -1.849) 10.596 2.061 ( 7.610 7.138 -1.849) 10.596 2.497 ( -7.067 -4.032 -5.116) 9.611 2.497 ( -7.067 4.032 -5.116) 9.611 2.715 ( -2.410 -5.416 -5.577) 8.139 2.715 ( -2.410 5.416 -5.577) 8.139 3.008 ( -9.738 -3.954 5.679) 11.946 3.008 ( -9.738 3.954 5.679) 11.946 3.681 ( 8.529 -7.457 -11.152) 15.897 3.681 ( 8.529 7.457 -11.152) 15.897 3.901 ( 2.758 -1.307 -12.998) 13.351 3.901 ( 2.758 1.307 -12.998) 13.351 4.197 ( 9.822 -5.073 0.723) 11.078 4.197 ( 9.822 5.073 0.723) 11.078 4.445 ( 3.142 -8.123 -0.307) 8.715 4.445 ( 3.142 8.123 -0.307) 8.715 4.520 ( 3.684 -3.357 8.278) 9.662 4.520 ( 3.684 3.357 8.278) 9.662 4.806 ( 1.437 -9.470 2.334) 9.859 4.806 ( 1.437 9.470 2.334) 9.859 5.113 ( -12.777 -8.058 3.259) 15.453 5.113 ( -12.777 8.058 3.259) 15.453 5.271 ( -9.261 -8.419 -0.087) 12.516 5.271 ( -9.261 8.419 -0.087) 12.516 6.404 ( 6.303 -7.031 3.970) 10.243 6.404 ( 6.303 7.031 3.970) 10.243 6.507 ( 1.475 -0.727 4.693) 4.972 6.507 ( 1.475 0.727 4.693) 4.972 7.751 ( 7.614 -9.291 -3.656) 12.557 7.751 ( 7.614 9.291 -3.656) 12.557 8.035 ( -7.060 -6.778 -2.299) 10.053 8.035 ( -7.060 6.778 -2.299) 10.053 9.171 ( 7.713 -8.878 1.978) 11.925 9.171 ( 7.713 8.878 1.978) 11.925 9.415 ( -1.858 -12.635 3.251) 13.178 9.415 ( -1.858 12.635 3.251) 13.178 9.997 ( -0.523 -5.221 -7.276) 8.971 9.997 ( -0.523 5.221 -7.276) 8.971 10.122 ( -5.194 -7.769 -0.449) 9.356 10.122 ( -5.194 7.769 -0.449) 9.356 11.332 ( 1.384 -12.575 4.619) 13.468 11.332 ( 1.384 12.575 4.619) 13.468 11.364 ( -0.541 -14.458 6.450) 15.841 11.364 ( -0.541 14.458 6.450) 15.841 12.778 ( 29.046 -22.145 -8.223) 37.439 12.778 ( 29.046 22.145 -8.223) 37.439 13.368 ( 19.224 -20.203 13.607) 31.031 13.368 ( 19.224 20.203 13.607) 31.031 13.676 ( -12.766 -20.913 -10.143) 26.518 13.676 ( -12.766 20.913 -10.143) 26.518 14.567 ( -22.451 -5.304 10.918) 25.522 14.567 ( -22.451 5.304 10.918) 25.522 17.166 ( 7.118 -2.986 -3.452) 8.456 17.166 ( 7.118 2.986 -3.452) 8.456 17.343 ( -1.863 -0.933 -0.964) 2.296 17.343 ( -1.863 0.933 -0.964) 2.296 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -5.787 -12.520 5.395) 14.810 1.514 ( 5.419 -12.479 5.395) 14.635 1.514 ( -5.419 12.479 5.395) 14.635 1.514 ( 5.787 12.520 5.395) 14.810 2.282 ( -11.778 -6.486 -4.832) 14.287 2.282 ( 4.719 -3.600 -4.832) 7.653 2.282 ( -4.719 3.600 -4.832) 7.653 2.282 ( 11.778 6.486 -4.832) 14.287 2.809 ( -7.053 -7.529 2.615) 10.643 2.809 ( 0.347 -6.655 2.615) 7.158 2.809 ( -0.347 6.655 2.615) 7.158 2.809 ( 7.053 7.529 2.615) 10.643 3.835 ( -4.737 -7.921 -15.676) 18.191 3.835 ( 1.418 -7.592 -15.676) 17.475 3.835 ( -1.418 7.592 -15.676) 17.475 3.835 ( 4.737 7.921 -15.676) 18.191 4.438 ( -5.635 -12.123 -5.843) 14.590 4.438 ( 4.955 -12.048 -5.843) 14.278 4.438 ( -4.955 12.048 -5.843) 14.278 4.438 ( 5.635 12.123 -5.843) 14.590 4.650 ( -11.446 -15.862 13.297) 23.652 4.650 ( 10.949 -15.774 13.297) 23.355 4.650 ( -10.949 15.774 13.297) 23.355 4.650 ( 11.446 15.862 13.297) 23.652 5.084 ( -7.571 -7.826 1.272) 10.963 5.084 ( 7.481 -7.804 1.272) 10.885 5.084 ( -7.481 7.804 1.272) 10.885 5.084 ( 7.571 7.826 1.272) 10.963 6.498 ( -1.776 -6.350 4.844) 8.182 6.498 ( 1.170 -6.315 4.844) 8.044 6.498 ( -1.170 6.315 4.844) 8.044 6.498 ( 1.776 6.350 4.844) 8.182 7.893 ( -6.506 -8.195 -3.123) 10.920 7.893 ( 6.076 -8.112 -3.123) 10.605 7.893 ( -6.076 8.112 -3.123) 10.605 7.893 ( 6.506 8.195 -3.123) 10.920 9.326 ( -6.450 -12.062 2.094) 13.837 9.326 ( 6.360 -12.050 2.094) 13.785 9.326 ( -6.360 12.050 2.094) 13.785 9.326 ( 6.450 12.062 2.094) 13.837 10.028 ( -3.200 -7.697 -3.148) 8.910 10.028 ( 2.941 -7.671 -3.148) 8.798 10.028 ( -2.941 7.671 -3.148) 8.798 10.028 ( 3.200 7.697 -3.148) 8.910 11.352 ( -0.594 -15.851 5.354) 16.741 11.352 ( 0.585 -15.851 5.354) 16.741 11.352 ( -0.585 15.851 5.354) 16.741 11.352 ( 0.594 15.851 5.354) 16.741 13.254 ( -17.632 -28.763 -13.671) 36.402 13.254 ( 15.966 -28.519 -13.671) 35.428 13.254 ( -15.966 28.519 -13.671) 35.428 13.254 ( 17.632 28.763 -13.671) 36.402 14.013 ( -29.408 -7.167 16.859) 34.647 14.013 ( -29.090 6.835 16.859) 34.310 14.013 ( 29.090 -6.835 16.859) 34.310 14.013 ( 29.408 7.167 16.859) 34.647 17.282 ( -4.057 -1.971 -2.669) 5.241 17.282 ( -1.188 -0.353 -2.669) 2.943 17.282 ( 1.188 0.353 -2.669) 2.943 17.282 ( 4.057 1.971 -2.669) 5.241 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 0.000 22.053) 22.053 1.008 ( 0.000 0.000 24.364) 24.364 1.749 ( 0.000 0.000 41.602) 41.602 2.031 ( 0.000 0.000 6.656) 6.656 2.485 ( 0.000 0.000 -11.618) 11.618 2.496 ( 0.000 0.000 6.993) 6.993 2.587 ( 0.000 0.000 -8.456) 8.456 2.595 ( 0.000 0.000 -7.401) 7.401 2.794 ( 0.000 0.000 -12.899) 12.899 2.836 ( 0.000 0.000 -5.604) 5.604 2.991 ( 0.000 0.000 -5.384) 5.384 3.243 ( 0.000 0.000 -12.458) 12.458 3.261 ( 0.000 0.000 -0.825) 0.825 3.399 ( 0.000 0.000 2.560) 2.560 3.565 ( 0.000 0.000 7.777) 7.777 3.713 ( 0.000 0.000 -1.597) 1.597 4.179 ( 0.000 0.000 1.551) 1.551 4.283 ( 0.000 0.000 7.122) 7.122 4.383 ( 0.000 0.000 0.766) 0.766 4.504 ( 0.000 0.000 2.187) 2.187 4.645 ( 0.000 0.000 6.384) 6.384 4.664 ( 0.000 0.000 -10.135) 10.135 4.841 ( 0.000 0.000 -3.007) 3.007 5.071 ( 0.000 0.000 -8.589) 8.589 5.112 ( 0.000 0.000 16.734) 16.734 5.521 ( 0.000 0.000 -1.106) 1.106 5.598 ( 0.000 0.000 -16.740) 16.740 5.699 ( 0.000 0.000 -3.963) 3.963 5.767 ( 0.000 0.000 -6.933) 6.933 6.095 ( 0.000 0.000 -2.948) 2.948 6.262 ( 0.000 0.000 -0.144) 0.144 6.313 ( 0.000 0.000 -4.758) 4.758 7.219 ( 0.000 0.000 5.714) 5.714 7.404 ( 0.000 0.000 17.369) 17.369 8.161 ( 0.000 0.000 -6.941) 6.941 8.615 ( 0.000 0.000 -0.235) 0.235 8.725 ( 0.000 0.000 6.261) 6.261 9.068 ( 0.000 0.000 1.062) 1.062 9.144 ( 0.000 0.000 -2.200) 2.200 9.188 ( 0.000 0.000 10.189) 10.189 9.871 ( 0.000 0.000 -14.735) 14.735 10.127 ( 0.000 0.000 -9.343) 9.343 10.252 ( 0.000 0.000 -7.168) 7.168 10.508 ( 0.000 0.000 -5.525) 5.525 10.867 ( 0.000 0.000 19.459) 19.459 11.150 ( 0.000 0.000 12.709) 12.709 11.351 ( 0.000 0.000 31.973) 31.973 11.797 ( 0.000 0.000 6.420) 6.420 11.847 ( 0.000 0.000 3.319) 3.319 11.872 ( 0.000 0.000 10.493) 10.493 12.112 ( 0.000 0.000 19.681) 19.681 14.093 ( 0.000 0.000 -33.620) 33.620 14.380 ( 0.000 0.000 -14.588) 14.588 14.524 ( 0.000 0.000 -13.132) 13.132 14.877 ( 0.000 0.000 -0.329) 0.329 15.021 ( 0.000 0.000 -1.411) 1.411 16.777 ( 0.000 0.000 13.240) 13.240 16.989 ( 0.000 0.000 0.964) 0.964 17.067 ( 0.000 0.000 0.237) 0.237 17.182 ( 0.000 0.000 0.025) 0.025 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 12.875 0.000 17.590) 21.799 1.038 ( 5.841 0.000 21.714) 22.486 2.044 ( 24.057 0.000 33.330) 41.105 2.080 ( 4.937 0.000 5.100) 7.099 2.412 ( -5.294 0.000 -2.882) 6.028 2.503 ( -5.050 0.000 -10.519) 11.669 2.580 ( 4.193 0.000 -1.079) 4.329 2.636 ( 0.612 0.000 -3.561) 3.613 2.788 ( -1.312 0.000 -12.126) 12.197 2.799 ( -2.697 0.000 -4.095) 4.903 3.000 ( 0.061 0.000 -5.423) 5.423 3.087 ( -11.324 0.000 -2.201) 11.536 3.217 ( -5.234 0.000 -7.437) 9.094 3.310 ( -1.944 0.000 -2.930) 3.517 3.680 ( -3.566 0.000 -2.474) 4.340 3.691 ( 9.277 0.000 7.601) 11.994 4.162 ( -12.197 0.000 1.778) 12.326 4.171 ( -2.346 0.000 0.237) 2.357 4.289 ( -6.367 0.000 5.733) 8.568 4.380 ( -8.591 0.000 1.051) 8.655 4.659 ( 0.007 0.000 -8.375) 8.375 4.769 ( 9.047 0.000 4.264) 10.001 4.830 ( -6.723 0.000 -5.589) 8.743 4.976 ( 1.926 0.000 1.944) 2.737 5.305 ( -12.341 0.000 -1.348) 12.415 5.339 ( 13.775 0.000 10.062) 17.059 5.443 ( -11.828 0.000 3.559) 12.352 5.581 ( -2.626 0.000 -14.223) 14.463 5.900 ( -2.707 0.000 -8.222) 8.656 6.168 ( 9.431 0.000 3.330) 10.002 6.347 ( 2.805 0.000 -3.874) 4.783 6.464 ( 13.933 0.000 -1.258) 13.990 7.276 ( 4.149 0.000 6.900) 8.051 7.619 ( 15.541 0.000 0.374) 15.546 8.118 ( -4.099 0.000 -6.575) 7.748 8.541 ( -6.423 0.000 -1.446) 6.584 8.744 ( 1.768 0.000 7.089) 7.306 9.114 ( 4.786 0.000 0.376) 4.800 9.150 ( -0.174 0.000 5.533) 5.536 9.231 ( 4.538 0.000 3.222) 5.566 9.862 ( -0.441 0.000 -12.292) 12.300 10.168 ( 1.708 0.000 -10.120) 10.264 10.207 ( -2.434 0.000 -5.243) 5.780 10.451 ( -5.454 0.000 -3.465) 6.462 10.913 ( 3.643 0.000 17.674) 18.046 10.925 ( -7.073 0.000 5.936) 9.234 11.516 ( -17.795 0.000 20.422) 27.087 11.835 ( 0.802 0.000 4.995) 5.059 11.844 ( 32.685 0.000 31.333) 45.278 11.961 ( 2.238 0.000 -0.250) 2.252 12.287 ( 18.897 0.000 25.421) 31.675 13.656 ( -28.843 0.000 -31.596) 42.781 14.629 ( 10.765 0.000 -10.701) 15.178 14.824 ( 20.286 0.000 -17.770) 26.968 14.895 ( 1.389 0.000 -1.854) 2.317 15.027 ( 0.957 0.000 -1.448) 1.735 16.787 ( 1.019 0.000 10.600) 10.648 16.925 ( -8.725 0.000 0.691) 8.752 17.002 ( -0.985 0.000 0.147) 0.996 17.174 ( -0.817 0.000 -0.350) 0.889 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 15.075 0.000 11.516) 18.971 1.345 ( 16.668 0.000 10.176) 19.529 2.199 ( -1.266 0.000 -4.248) 4.432 2.289 ( 1.674 0.000 6.222) 6.444 2.376 ( -6.498 0.000 -8.240) 10.494 2.559 ( -6.084 0.000 1.337) 6.229 2.572 ( 14.192 0.000 7.722) 16.157 2.619 ( 1.030 0.000 -4.323) 4.444 2.724 ( 1.376 0.000 10.906) 10.993 2.760 ( -9.249 0.000 -9.511) 13.267 2.884 ( 3.515 0.000 -2.474) 4.298 3.051 ( 1.338 0.000 -3.315) 3.575 3.120 ( -1.418 0.000 -9.089) 9.199 3.351 ( 4.131 0.000 -6.324) 7.554 3.553 ( -8.269 0.000 -3.540) 8.995 3.837 ( -16.681 0.000 -0.223) 16.682 3.903 ( 9.470 0.000 3.032) 9.944 4.002 ( -12.020 0.000 -5.168) 13.084 4.215 ( 0.095 0.000 6.518) 6.518 4.267 ( -2.632 0.000 5.359) 5.970 4.632 ( -1.887 0.000 -9.043) 9.238 4.685 ( -5.430 0.000 -2.361) 5.921 4.965 ( 7.027 0.000 1.401) 7.165 4.989 ( -2.057 0.000 -0.190) 2.066 5.124 ( -7.179 0.000 0.398) 7.190 5.206 ( -8.652 0.000 4.217) 9.625 5.494 ( -5.537 0.000 -12.435) 13.612 5.662 ( 16.550 0.000 10.841) 19.785 5.741 ( -9.819 0.000 -3.800) 10.529 6.398 ( 1.332 0.000 -1.223) 1.809 6.425 ( 13.485 0.000 5.956) 14.742 6.728 ( 10.827 0.000 6.022) 12.389 7.371 ( 4.678 0.000 4.451) 6.457 7.845 ( 3.873 0.000 -5.349) 6.604 8.014 ( -4.169 0.000 -8.063) 9.077 8.378 ( -8.655 0.000 -3.649) 9.393 8.794 ( 3.013 0.000 9.050) 9.539 9.124 ( -2.404 0.000 10.622) 10.891 9.273 ( 10.075 0.000 -3.188) 10.568 9.372 ( 8.736 0.000 0.023) 8.736 9.859 ( -0.171 0.000 -9.267) 9.268 10.112 ( -3.326 0.000 -3.932) 5.150 10.226 ( 0.574 0.000 -9.491) 9.508 10.293 ( -9.374 0.000 -1.885) 9.561 10.935 ( 7.882 0.000 -9.066) 12.014 10.989 ( 3.256 0.000 16.003) 16.331 11.236 ( -8.608 0.000 25.093) 26.529 11.861 ( 1.468 0.000 3.703) 3.983 11.971 ( -0.517 0.000 -2.242) 2.301 12.598 ( 38.665 0.000 30.740) 49.395 12.875 ( 35.646 0.000 25.601) 43.887 13.017 ( -31.797 0.000 -31.462) 44.732 14.736 ( -0.334 0.000 -1.292) 1.334 14.905 ( -0.353 0.000 -0.875) 0.944 15.054 ( 0.460 0.000 0.018) 0.460 15.099 ( 3.508 0.000 -6.806) 7.657 16.776 ( -3.480 0.000 -5.639) 6.626 16.827 ( 3.017 0.000 4.122) 5.108 16.989 ( -0.863 0.000 -2.085) 2.256 17.146 ( -1.962 0.000 -1.367) 2.392 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 16.606 0.000 4.025) 17.087 1.675 ( 14.420 0.000 3.002) 14.730 2.049 ( -6.788 0.000 -4.989) 8.424 2.213 ( -9.951 0.000 -4.257) 10.823 2.395 ( -6.003 0.000 5.628) 8.229 2.470 ( -0.245 0.000 -3.635) 3.643 2.501 ( -6.241 0.000 -4.906) 7.939 2.535 ( -4.543 0.000 -4.474) 6.376 2.572 ( 1.466 0.000 2.059) 2.527 2.947 ( -3.307 0.000 1.942) 3.835 3.054 ( 8.844 0.000 2.413) 9.168 3.140 ( 9.666 0.000 -12.178) 15.548 3.170 ( 7.319 0.000 0.583) 7.342 3.340 ( -8.465 0.000 1.774) 8.649 3.487 ( -4.649 0.000 -1.426) 4.863 3.630 ( 11.014 0.000 -3.372) 11.519 3.689 ( -14.981 0.000 -17.205) 22.813 4.107 ( 6.983 0.000 7.371) 10.153 4.224 ( -1.638 0.000 6.257) 6.468 4.267 ( 2.515 0.000 3.957) 4.689 4.594 ( -1.961 0.000 -8.276) 8.505 4.639 ( 1.517 0.000 0.211) 1.532 4.750 ( -18.684 0.000 -5.783) 19.558 4.895 ( -6.576 0.000 0.621) 6.605 5.126 ( 1.932 0.000 -3.685) 4.161 5.218 ( 7.498 0.000 7.126) 10.344 5.358 ( -7.356 0.000 -7.971) 10.847 5.546 ( -8.514 0.000 0.118) 8.515 5.990 ( 14.367 0.000 8.912) 16.907 6.377 ( -3.659 0.000 2.427) 4.391 6.692 ( 11.626 0.000 8.964) 14.680 6.891 ( 4.154 0.000 11.295) 12.035 7.467 ( 4.943 0.000 0.951) 5.033 7.765 ( -8.058 0.000 -0.943) 8.113 8.012 ( 2.230 0.000 -10.026) 10.271 8.207 ( -7.400 0.000 -5.732) 9.360 8.867 ( 3.976 0.000 11.031) 11.726 9.053 ( -4.282 0.000 12.431) 13.148 9.496 ( 10.626 0.000 -6.384) 12.396 9.582 ( 11.262 0.000 -0.887) 11.296 9.824 ( -3.959 0.000 -7.223) 8.236 10.075 ( -11.421 0.000 -2.045) 11.603 10.080 ( 0.765 0.000 -5.048) 5.106 10.203 ( -2.609 0.000 -7.882) 8.303 11.046 ( 2.312 0.000 16.647) 16.807 11.130 ( -2.653 0.000 21.613) 21.775 11.231 ( 19.913 0.000 -19.957) 28.193 11.892 ( 1.540 0.000 2.195) 2.681 11.952 ( -1.203 0.000 -1.062) 1.605 12.349 ( -31.427 0.000 -30.367) 43.701 13.411 ( 37.792 0.000 26.540) 46.180 13.672 ( 39.021 0.000 21.939) 44.766 14.584 ( -14.961 0.000 7.744) 16.846 14.918 ( 1.729 0.000 0.745) 1.882 14.946 ( -17.467 0.000 8.362) 19.365 15.025 ( -2.739 0.000 2.233) 3.534 16.790 ( 3.769 0.000 -11.165) 11.784 16.909 ( 4.665 0.000 -1.541) 4.913 16.956 ( -2.468 0.000 -5.523) 6.049 17.091 ( -3.342 0.000 -2.676) 4.281 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -8.120 0.000 -4.061) 9.079 1.913 ( 8.120 0.000 -4.061) 9.079 1.943 ( -15.372 0.000 -0.218) 15.374 1.943 ( 15.372 0.000 -0.218) 15.374 2.347 ( -3.397 0.000 2.471) 4.200 2.347 ( 3.397 0.000 2.471) 4.200 2.458 ( -1.903 0.000 -4.942) 5.296 2.458 ( 1.903 0.000 -4.942) 5.296 2.786 ( -10.884 0.000 4.170) 11.655 2.786 ( 10.884 0.000 4.170) 11.655 3.173 ( -6.321 0.000 0.277) 6.327 3.173 ( 6.321 0.000 0.277) 6.327 3.330 ( -6.969 0.000 -2.255) 7.324 3.330 ( 6.969 0.000 -2.255) 7.324 3.390 ( -13.546 0.000 -17.277) 21.954 3.390 ( 13.546 0.000 -17.277) 21.954 4.076 ( -22.161 0.000 3.791) 22.483 4.076 ( 22.161 0.000 3.791) 22.483 4.192 ( -1.976 0.000 5.930) 6.251 4.192 ( 1.976 0.000 5.930) 6.251 4.550 ( -0.929 0.000 -8.464) 8.515 4.550 ( 0.929 0.000 -8.464) 8.515 4.742 ( -7.342 0.000 1.382) 7.470 4.742 ( 7.342 0.000 1.382) 7.470 5.207 ( -6.028 0.000 -5.161) 7.935 5.207 ( 6.028 0.000 -5.161) 7.935 5.383 ( -7.570 0.000 3.486) 8.334 5.383 ( 7.570 0.000 3.486) 8.334 6.240 ( -9.497 0.000 5.992) 11.229 6.240 ( 9.497 0.000 5.992) 11.229 6.877 ( -5.404 0.000 11.786) 12.966 6.877 ( 5.404 0.000 11.786) 12.966 7.595 ( -7.538 0.000 -0.659) 7.567 7.595 ( 7.538 0.000 -0.659) 7.567 8.081 ( -4.614 0.000 -7.804) 9.066 8.081 ( 4.614 0.000 -7.804) 9.066 8.958 ( -4.642 0.000 12.319) 13.165 8.958 ( 4.642 0.000 12.319) 13.165 9.694 ( -8.179 0.000 -6.964) 10.742 9.694 ( 8.179 0.000 -6.964) 10.742 9.828 ( -12.154 0.000 -1.665) 12.267 9.828 ( 12.154 0.000 -1.665) 12.267 10.133 ( -3.604 0.000 -6.384) 7.331 10.133 ( 3.604 0.000 -6.384) 7.331 11.088 ( -1.864 0.000 18.381) 18.475 11.088 ( 1.864 0.000 18.381) 18.475 11.731 ( -27.566 0.000 -26.670) 38.356 11.731 ( 27.566 0.000 -26.670) 38.356 11.924 ( -1.484 0.000 0.572) 1.591 11.924 ( 1.484 0.000 0.572) 1.591 14.119 ( -29.223 0.000 18.512) 34.593 14.119 ( 29.223 0.000 18.512) 34.593 14.422 ( -31.880 0.000 16.767) 36.020 14.422 ( 31.880 0.000 16.767) 36.020 14.965 ( -2.706 0.000 1.425) 3.058 14.965 ( 2.706 0.000 1.425) 3.058 16.884 ( -4.423 0.000 -9.468) 10.450 16.884 ( 4.423 0.000 -9.468) 10.450 17.008 ( -4.548 0.000 -3.364) 5.657 17.008 ( 4.548 0.000 -3.364) 5.657 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 7.168 18.151) 19.515 1.142 ( 0.000 12.521 21.314) 24.720 1.965 ( 0.000 19.280 34.592) 39.602 1.992 ( 0.000 -4.879 5.473) 7.332 2.382 ( 0.000 -9.536 3.119) 10.033 2.430 ( 0.000 -8.872 -15.411) 17.782 2.580 ( 0.000 0.321 -8.784) 8.790 2.662 ( 0.000 2.598 -7.986) 8.398 2.667 ( 0.000 4.201 -7.182) 8.320 2.949 ( 0.000 -15.045 -2.997) 15.341 3.061 ( 0.000 2.799 -14.644) 14.909 3.096 ( 0.000 13.317 -6.934) 15.014 3.387 ( 0.000 2.628 -1.057) 2.833 3.504 ( 0.000 8.260 1.178) 8.344 3.602 ( 0.000 -1.864 0.236) 1.879 3.665 ( 0.000 8.694 7.673) 11.596 4.125 ( 0.000 -15.371 -2.857) 15.634 4.155 ( 0.000 -3.575 0.866) 3.679 4.285 ( 0.000 -2.891 10.105) 10.511 4.507 ( 0.000 -10.600 9.690) 14.362 4.576 ( 0.000 -5.217 -6.428) 8.278 4.812 ( 0.000 14.740 -7.758) 16.657 5.003 ( 0.000 3.033 8.468) 8.995 5.034 ( 0.000 -0.770 -1.332) 1.539 5.156 ( 0.000 10.306 0.503) 10.318 5.518 ( 0.000 -12.109 -2.380) 12.341 5.572 ( 0.000 2.046 -4.920) 5.329 5.595 ( 0.000 -0.682 -14.749) 14.765 5.805 ( 0.000 3.092 -6.563) 7.255 6.112 ( 0.000 2.026 -2.284) 3.054 6.155 ( 0.000 -7.071 0.986) 7.139 6.382 ( 0.000 2.293 -4.944) 5.449 7.230 ( 0.000 1.098 6.283) 6.379 7.383 ( 0.000 -1.767 16.663) 16.756 8.182 ( 0.000 2.183 -5.541) 5.956 8.577 ( 0.000 -3.570 -0.156) 3.573 8.782 ( 0.000 5.209 5.886) 7.860 9.052 ( 0.000 -1.016 1.168) 1.548 9.220 ( 0.000 3.097 9.278) 9.781 9.239 ( 0.000 7.436 -4.500) 8.692 9.868 ( 0.000 -0.450 -15.062) 15.069 10.078 ( 0.000 -4.760 -7.929) 9.248 10.245 ( 0.000 -0.333 -6.166) 6.175 10.492 ( 0.000 -2.219 -5.668) 6.087 10.904 ( 0.000 4.628 17.792) 18.384 11.360 ( 0.000 0.601 29.817) 29.823 11.374 ( 0.000 20.725 12.970) 24.449 11.745 ( 0.000 -9.802 12.019) 15.509 11.790 ( 0.000 -0.551 8.931) 8.948 11.795 ( 0.000 -4.885 3.093) 5.782 12.067 ( 0.000 -2.690 24.870) 25.015 14.128 ( 0.000 2.399 -29.865) 29.961 14.390 ( 0.000 0.968 -14.559) 14.591 14.515 ( 0.000 -0.896 -13.166) 13.196 14.575 ( 0.000 -26.784 -1.690) 26.837 14.928 ( 0.000 -8.204 -7.267) 10.960 16.773 ( 0.000 0.863 11.099) 11.132 16.998 ( 0.000 -3.042 1.708) 3.489 17.133 ( 0.000 11.003 2.645) 11.316 17.304 ( 0.000 7.021 1.673) 7.218 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 11.465 5.363 15.100) 19.703 1.169 ( 4.627 11.781 18.190) 22.160 2.028 ( 3.390 -5.674 5.528) 8.617 2.191 ( 17.140 12.285 25.685) 33.233 2.353 ( -3.101 -8.429 4.199) 9.914 2.399 ( -3.054 -9.508 -11.381) 15.141 2.476 ( -6.148 1.910 -11.464) 13.147 2.602 ( -1.149 -3.547 -6.863) 7.810 2.842 ( 8.247 4.035 -7.116) 11.616 2.906 ( -2.173 -6.854 -3.264) 7.896 2.992 ( -4.980 1.155 -10.488) 11.668 3.144 ( -0.351 13.431 -6.217) 14.804 3.262 ( -8.687 4.500 0.198) 9.785 3.382 ( -7.373 6.201 2.290) 9.903 3.577 ( -1.174 -4.656 -5.658) 7.421 3.760 ( 6.895 5.633 7.978) 11.955 3.984 ( -11.696 -14.328 -3.557) 18.834 4.170 ( -5.358 0.783 2.605) 6.009 4.224 ( 0.225 -0.414 7.471) 7.486 4.536 ( 1.030 -4.789 3.199) 5.851 4.636 ( -1.684 -2.322 -7.309) 7.851 4.727 ( -0.127 1.170 -1.000) 1.545 4.882 ( -6.958 3.316 2.755) 8.185 5.050 ( -0.846 5.805 -3.001) 6.590 5.224 ( -1.357 1.635 0.576) 2.201 5.321 ( -6.206 -8.315 9.911) 14.349 5.489 ( -1.359 2.701 -6.152) 6.855 5.631 ( 2.592 7.333 -9.309) 12.130 5.880 ( -3.948 -1.888 -6.893) 8.164 6.182 ( 9.403 1.543 2.987) 9.986 6.295 ( 7.502 -4.316 -2.458) 8.997 6.479 ( 9.779 0.457 -1.887) 9.970 7.285 ( 4.147 0.999 6.885) 8.099 7.556 ( 13.527 -5.260 3.081) 14.837 8.134 ( -4.494 1.820 -5.049) 7.000 8.505 ( -6.355 -3.483 -1.167) 7.340 8.803 ( 1.947 5.374 6.659) 8.776 9.089 ( 3.714 -1.508 1.059) 4.146 9.207 ( -0.527 4.323 7.562) 8.726 9.298 ( 4.720 5.809 -2.340) 7.842 9.865 ( 0.049 0.126 -13.038) 13.039 10.103 ( 1.387 -6.515 -8.027) 10.431 10.187 ( -4.591 -0.268 -3.978) 6.081 10.468 ( -2.462 -0.533 -6.495) 6.966 10.918 ( 0.072 5.016 17.239) 17.954 11.137 ( -2.485 16.021 8.568) 18.337 11.501 ( -13.981 -0.806 18.659) 23.329 11.746 ( 6.137 -5.209 9.781) 12.668 11.865 ( 6.920 -5.580 5.554) 10.482 11.972 ( 21.528 6.441 20.683) 30.541 12.257 ( 18.964 -2.298 26.040) 32.295 13.710 ( -27.478 5.193 -29.733) 40.818 14.520 ( 3.019 -21.717 0.198) 21.927 14.627 ( 5.553 -14.239 -10.155) 18.350 14.738 ( 12.201 -5.130 -12.074) 17.915 14.989 ( 6.000 -3.499 -9.866) 12.066 16.787 ( 1.495 1.192 8.573) 8.784 16.937 ( -4.733 0.708 0.568) 4.819 17.134 ( -0.097 10.579 1.737) 10.721 17.269 ( -2.581 7.066 0.997) 7.588 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 12.207 7.580 12.028) 18.739 1.370 ( 15.230 2.017 8.285) 17.455 2.103 ( 2.398 -12.197 1.951) 12.582 2.231 ( -6.867 -3.785 4.628) 9.105 2.279 ( -5.725 -10.046 -8.116) 14.128 2.374 ( -2.329 -1.503 -7.413) 7.914 2.456 ( -0.611 -6.064 -6.132) 8.646 2.649 ( 2.985 -1.145 1.211) 3.419 2.849 ( -7.436 3.486 -1.661) 8.378 2.879 ( 2.422 -5.117 2.243) 6.089 3.023 ( -2.282 7.052 -1.606) 7.584 3.040 ( 4.032 0.072 -4.021) 5.695 3.113 ( -2.937 10.849 1.481) 11.336 3.359 ( 4.043 6.207 -4.046) 8.441 3.521 ( -4.871 -2.340 -7.247) 9.040 3.711 ( -11.975 -7.721 -2.015) 14.390 3.947 ( 9.282 1.700 5.340) 10.842 4.031 ( -4.392 6.023 -2.032) 7.726 4.255 ( -0.566 3.409 3.832) 5.160 4.359 ( -11.908 2.223 -5.215) 13.189 4.590 ( -0.155 -4.533 -5.758) 7.330 4.778 ( -2.164 8.067 4.719) 9.593 4.895 ( 8.666 -6.651 4.305) 11.742 4.989 ( -3.322 -1.930 -2.926) 4.830 5.117 ( -7.427 1.971 0.671) 7.713 5.213 ( -5.441 0.757 4.767) 7.273 5.469 ( -3.351 -2.151 -9.634) 10.424 5.689 ( -7.944 -2.092 -3.756) 9.033 5.813 ( 10.236 10.999 6.316) 16.299 6.394 ( 2.550 -0.481 -0.964) 2.768 6.425 ( 12.684 0.166 5.210) 13.713 6.709 ( 10.256 -2.012 6.137) 12.120 7.382 ( 4.875 1.228 3.888) 6.355 7.791 ( 7.174 -5.441 -5.979) 10.808 8.011 ( -6.460 0.617 -4.929) 8.149 8.344 ( -8.498 -3.261 -3.198) 9.648 8.859 ( 3.345 5.856 8.377) 10.754 9.174 ( -0.655 3.884 8.123) 9.027 9.230 ( 7.490 -2.137 0.640) 7.815 9.425 ( 7.259 3.875 -2.915) 8.730 9.874 ( 0.439 1.006 -10.501) 10.558 10.074 ( -4.769 -4.979 -2.055) 7.195 10.109 ( -2.243 -4.319 -6.630) 8.224 10.391 ( -4.775 2.490 -6.620) 8.534 10.938 ( 3.153 5.586 11.141) 12.856 11.211 ( 7.542 16.944 0.213) 18.548 11.269 ( -7.392 4.387 20.194) 21.947 11.799 ( 1.839 -5.963 4.178) 7.509 11.908 ( -0.014 -6.031 -0.590) 6.060 12.645 ( 37.082 3.763 28.986) 47.217 12.819 ( 30.133 -3.882 21.659) 37.312 13.119 ( -25.531 9.133 -25.945) 37.528 14.571 ( 2.565 -24.960 2.309) 25.198 14.657 ( -2.208 -19.089 -5.521) 19.994 14.883 ( 0.679 -6.110 -1.513) 6.331 15.085 ( -0.129 -2.730 -4.417) 5.194 16.841 ( 3.709 2.199 2.386) 4.928 16.867 ( -0.779 6.332 -4.998) 8.104 17.122 ( -1.196 10.259 -0.582) 10.345 17.214 ( -2.798 6.055 -0.664) 6.704 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 11.239 0.350 6.597) 13.037 1.688 ( 14.443 -1.714 3.508) 14.961 2.017 ( -8.562 -6.557 1.049) 10.835 2.129 ( -5.713 -5.232 -4.596) 9.008 2.202 ( -0.403 -11.553 -5.941) 12.998 2.349 ( -1.528 -5.659 -2.216) 6.266 2.419 ( -0.765 -4.892 -4.888) 6.958 2.553 ( -6.669 -3.743 -0.265) 7.652 2.655 ( -8.094 2.223 1.117) 8.467 2.834 ( -5.757 -12.094 0.728) 13.414 3.025 ( 1.070 -5.551 -3.769) 6.794 3.138 ( 5.087 4.689 -0.051) 6.918 3.229 ( 5.795 3.390 -3.890) 7.759 3.404 ( -0.861 7.402 -5.934) 9.526 3.487 ( -9.281 0.414 -2.383) 9.591 3.599 ( 13.643 5.464 -3.432) 15.092 3.887 ( -7.450 11.593 -13.823) 19.519 4.143 ( 7.339 2.027 3.516) 8.386 4.191 ( 0.110 -7.239 -0.718) 7.275 4.284 ( 0.148 6.068 3.981) 7.259 4.570 ( -2.423 0.133 -4.703) 5.292 4.720 ( -12.397 7.738 2.968) 14.912 4.818 ( -1.191 5.488 0.384) 5.629 5.005 ( 0.228 3.597 -2.225) 4.236 5.113 ( -2.901 0.121 1.590) 3.310 5.138 ( 8.313 -6.730 7.144) 12.863 5.354 ( -7.409 -0.305 -6.831) 10.082 5.489 ( -9.213 -4.955 0.479) 10.472 6.076 ( 12.325 8.356 7.368) 16.614 6.398 ( -2.425 2.051 2.108) 3.812 6.677 ( 10.891 -1.515 8.413) 13.845 6.862 ( 3.833 -2.931 11.169) 12.166 7.485 ( 5.372 1.943 0.173) 5.716 7.783 ( -7.122 1.765 -1.530) 7.495 7.965 ( 2.517 -4.408 -9.021) 10.351 8.175 ( -7.409 -3.112 -5.314) 9.634 8.938 ( 4.214 6.469 9.971) 12.611 9.118 ( -3.753 6.119 10.828) 12.991 9.439 ( 11.108 -4.906 -3.844) 12.736 9.584 ( 7.646 0.581 -2.684) 8.124 9.844 ( -4.158 0.866 -8.544) 9.541 9.953 ( -7.263 -6.135 -2.671) 9.875 10.084 ( 1.507 -1.555 -4.584) 5.069 10.281 ( -5.613 2.971 -6.049) 8.771 11.028 ( 4.414 2.861 12.554) 13.612 11.160 ( -3.221 3.565 19.624) 20.204 11.465 ( 16.570 19.296 -14.351) 29.203 11.838 ( 1.978 -5.198 2.262) 6.004 11.893 ( -1.243 -5.701 -0.077) 5.836 12.473 ( -28.602 11.980 -27.858) 41.685 13.426 ( 36.665 0.555 24.346) 44.016 13.620 ( 37.406 -4.831 21.306) 43.318 14.526 ( -11.778 -12.236 1.415) 17.042 14.634 ( 3.267 -23.831 2.338) 24.168 14.770 ( -11.117 -14.100 6.868) 19.224 14.933 ( -12.781 -3.542 6.662) 14.842 16.907 ( 4.155 8.675 -9.081) 13.228 16.940 ( 5.394 3.526 -2.656) 6.971 17.081 ( -2.805 9.620 -3.889) 10.749 17.147 ( -3.828 5.212 -2.444) 6.913 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -8.676 -9.712 3.652) 13.525 1.808 ( 8.676 -9.712 3.652) 13.525 1.969 ( -9.538 1.506 -2.995) 10.110 1.969 ( 9.538 1.506 -2.995) 10.110 2.256 ( -5.088 -7.972 -7.690) 12.190 2.256 ( 5.088 -7.972 -7.690) 12.190 2.433 ( -3.699 -3.866 4.439) 6.952 2.433 ( 3.699 -3.866 4.439) 6.952 2.680 ( -7.744 -5.312 2.252) 9.657 2.680 ( 7.744 -5.312 2.252) 9.657 3.114 ( -5.563 -8.563 -4.560) 11.183 3.114 ( 5.563 -8.563 -4.560) 11.183 3.329 ( -5.868 6.752 -2.607) 9.318 3.329 ( 5.868 6.752 -2.607) 9.318 3.532 ( -10.656 7.738 -15.163) 20.084 3.532 ( 10.656 7.738 -15.163) 20.084 4.097 ( -14.361 0.059 -2.151) 14.522 4.097 ( 14.361 0.059 -2.151) 14.522 4.250 ( -4.232 4.638 5.370) 8.262 4.250 ( 4.232 4.638 5.370) 8.262 4.512 ( -0.818 4.337 -3.072) 5.377 4.512 ( 0.818 4.337 -3.072) 5.377 4.914 ( -6.527 8.973 4.512) 11.978 4.914 ( 6.527 8.973 4.512) 11.978 5.184 ( -7.465 -2.110 -5.437) 9.473 5.184 ( 7.465 -2.110 -5.437) 9.473 5.315 ( -8.039 -5.896 4.585) 10.973 5.315 ( 8.039 -5.896 4.585) 10.973 6.290 ( -7.928 4.952 5.205) 10.699 6.290 ( 7.928 4.952 5.205) 10.699 6.849 ( -5.001 -2.820 11.296) 12.672 6.849 ( 5.001 -2.820 11.296) 12.672 7.619 ( -7.589 2.465 -1.283) 8.082 7.619 ( 7.589 2.465 -1.283) 8.082 8.045 ( -5.033 -3.539 -7.362) 9.594 8.045 ( 5.033 -3.539 -7.362) 9.594 9.030 ( -4.518 6.688 10.886) 13.552 9.030 ( 4.518 6.688 10.886) 13.552 9.647 ( -6.803 -4.568 -5.444) 9.838 9.647 ( 6.803 -4.568 -5.444) 9.838 9.798 ( -5.535 -1.373 -3.380) 6.629 9.798 ( 5.535 -1.373 -3.380) 6.629 10.165 ( -5.310 1.260 -5.231) 7.560 10.165 ( 5.310 1.260 -5.231) 7.560 11.102 ( -2.844 2.866 16.163) 16.660 11.102 ( 2.844 2.866 16.163) 16.660 11.837 ( -8.445 -0.510 -5.995) 10.369 11.837 ( 8.445 -0.510 -5.995) 10.369 11.938 ( -17.684 11.656 -16.467) 26.828 11.938 ( 17.684 11.656 -16.467) 26.828 14.105 ( -26.757 -3.617 15.009) 30.892 14.105 ( 26.757 -3.617 15.009) 30.892 14.339 ( -28.577 -8.445 15.278) 33.487 14.339 ( 28.577 -8.445 15.278) 33.487 14.731 ( -5.863 -17.842 3.900) 19.181 14.731 ( 5.863 -17.842 3.900) 19.181 17.003 ( -4.383 9.326 -7.764) 12.902 17.003 ( 4.383 9.326 -7.764) 12.902 17.054 ( -4.986 4.339 -3.494) 7.476 17.054 ( 4.986 4.339 -3.494) 7.476 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.000 14.384 9.599) 17.293 1.459 ( 0.000 17.984 16.343) 24.300 1.807 ( 0.000 -13.325 2.433) 13.545 2.128 ( 0.000 -12.492 5.648) 13.710 2.260 ( 0.000 -5.606 -11.577) 12.863 2.404 ( 0.000 14.453 12.595) 19.171 2.531 ( 0.000 -11.179 1.248) 11.248 2.596 ( 0.000 3.077 -13.033) 13.391 2.845 ( 0.000 10.736 -10.399) 14.947 2.892 ( 0.000 8.937 -5.869) 10.692 3.085 ( 0.000 -1.486 -22.075) 22.125 3.266 ( 0.000 1.219 -3.193) 3.418 3.371 ( 0.000 0.167 -0.322) 0.363 3.687 ( 0.000 10.411 1.030) 10.462 3.740 ( 0.000 10.384 8.061) 13.146 3.788 ( 0.000 -14.158 1.484) 14.236 3.862 ( 0.000 8.109 3.691) 8.909 4.086 ( 0.000 -4.312 1.627) 4.609 4.160 ( 0.000 -11.929 12.764) 17.471 4.367 ( 0.000 2.059 7.031) 7.327 4.407 ( 0.000 -11.295 -3.940) 11.962 4.758 ( 0.000 -11.355 -1.719) 11.484 4.986 ( 0.000 -0.999 7.560) 7.626 5.176 ( 0.000 -3.629 7.449) 8.286 5.305 ( 0.000 3.495 -11.564) 12.081 5.426 ( 0.000 11.977 -6.359) 13.561 5.572 ( 0.000 -0.527 -10.346) 10.359 5.671 ( 0.000 5.366 -8.135) 9.745 5.849 ( 0.000 0.646 -5.792) 5.827 5.989 ( 0.000 -9.311 1.161) 9.383 6.186 ( 0.000 5.300 -1.836) 5.609 6.379 ( 0.000 -2.368 -4.112) 4.745 7.261 ( 0.000 1.871 8.022) 8.237 7.344 ( 0.000 -2.070 14.105) 14.256 8.251 ( 0.000 4.648 -3.111) 5.593 8.482 ( 0.000 -5.704 -0.411) 5.718 8.900 ( 0.000 5.714 4.733) 7.420 9.029 ( 0.000 -1.403 1.563) 2.100 9.307 ( 0.000 5.430 7.107) 8.944 9.376 ( 0.000 5.115 -4.444) 6.776 9.849 ( 0.000 -1.380 -14.943) 15.007 9.949 ( 0.000 -7.308 -5.944) 9.420 10.257 ( 0.000 1.967 -4.445) 4.861 10.417 ( 0.000 -4.685 -4.752) 6.673 11.055 ( 0.000 9.597 13.523) 16.582 11.352 ( 0.000 -2.275 23.054) 23.166 11.566 ( 0.000 -3.750 15.521) 15.968 11.666 ( 0.000 -7.044 5.062) 8.674 11.795 ( 0.000 1.197 14.829) 14.878 11.844 ( 0.000 9.702 16.739) 19.347 12.148 ( 0.000 23.061 17.621) 29.022 13.771 ( 0.000 -40.436 4.200) 40.653 14.324 ( 0.000 6.061 -29.407) 30.025 14.416 ( 0.000 1.497 -14.505) 14.582 14.494 ( 0.000 -1.202 -13.455) 13.508 14.733 ( 0.000 -10.698 -16.515) 19.677 16.818 ( 0.000 3.298 9.445) 10.005 16.950 ( 0.000 -2.428 4.434) 5.055 17.333 ( 0.000 7.851 3.417) 8.562 17.408 ( 0.000 3.269 3.926) 5.109 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 6.726 11.464 7.758) 15.390 1.468 ( 2.282 17.078 13.852) 22.107 1.830 ( 1.466 -13.621 1.545) 13.786 2.109 ( -1.361 -12.489 4.231) 13.257 2.223 ( -3.737 -4.963 -6.483) 8.980 2.425 ( -1.496 -4.682 -4.121) 6.414 2.568 ( -5.320 4.955 -1.433) 7.410 2.619 ( 1.372 4.408 -10.510) 11.480 2.647 ( 0.624 2.011 3.209) 3.839 2.944 ( -9.175 -5.062 -18.938) 21.643 3.068 ( 6.435 9.893 -3.452) 12.296 3.336 ( -3.528 5.477 -0.374) 6.525 3.396 ( 8.501 5.285 -5.164) 11.263 3.515 ( -13.685 6.283 5.586) 16.061 3.581 ( -7.243 2.998 1.656) 8.012 3.722 ( -5.532 -10.115 0.722) 11.551 3.887 ( 2.414 7.089 3.612) 8.314 4.190 ( 4.035 0.641 0.009) 4.085 4.251 ( 2.998 0.847 9.027) 9.549 4.347 ( 3.530 -7.556 5.658) 10.078 4.478 ( 3.549 -9.774 -2.214) 10.632 4.659 ( -7.174 -7.260 -2.141) 10.429 4.927 ( -3.923 -1.182 4.150) 5.831 5.082 ( -10.371 -7.650 1.688) 12.998 5.232 ( 0.074 7.285 -1.163) 7.377 5.408 ( -3.068 12.005 -2.556) 12.652 5.476 ( -3.999 -2.627 -10.279) 11.338 5.769 ( -1.216 -1.622 -6.747) 7.045 5.874 ( 5.516 6.546 -1.243) 8.650 6.165 ( 12.429 -5.528 0.293) 13.606 6.267 ( 7.087 4.028 -0.587) 8.173 6.458 ( 7.372 -2.774 -1.647) 8.047 7.316 ( 4.466 2.059 6.862) 8.442 7.449 ( 9.199 -4.879 5.997) 12.016 8.195 ( -5.121 4.251 -2.885) 7.253 8.413 ( -6.106 -5.468 -1.061) 8.265 8.924 ( 2.212 5.782 5.242) 8.112 9.058 ( 2.863 -1.710 1.665) 3.727 9.314 ( 0.555 6.285 6.599) 9.130 9.411 ( 3.247 4.426 -3.945) 6.760 9.855 ( 0.584 -1.263 -14.075) 14.144 9.949 ( -0.334 -7.797 -4.999) 9.268 10.210 ( -4.017 2.691 -3.251) 5.827 10.403 ( -1.582 -5.194 -4.962) 7.355 11.089 ( 2.483 10.919 12.484) 16.770 11.410 ( 4.799 4.631 16.128) 17.453 11.515 ( -3.557 0.926 12.057) 12.605 11.666 ( -0.760 -2.721 5.217) 5.933 11.756 ( 0.943 1.158 8.973) 9.097 12.069 ( 18.308 -2.733 23.116) 29.614 12.354 ( 19.068 19.704 21.479) 34.831 13.770 ( -4.648 -23.932 -4.107) 24.722 13.919 ( -17.013 -7.640 -16.394) 24.831 14.348 ( -8.257 -13.737 -12.425) 20.280 14.740 ( 12.546 2.500 -13.611) 18.679 14.901 ( 9.861 -4.853 -13.619) 17.501 16.837 ( 1.949 3.365 6.856) 7.882 16.941 ( -0.340 -0.672 2.092) 2.223 17.328 ( -0.513 7.578 2.614) 8.032 17.386 ( -1.934 4.008 2.909) 5.317 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 9.060 3.931 4.971) 11.056 1.574 ( 6.669 13.769 9.989) 18.271 1.828 ( -1.886 -14.138 -0.486) 14.272 2.078 ( -3.672 -8.590 -3.302) 9.909 2.110 ( -4.332 -6.155 5.197) 9.146 2.353 ( -6.013 -7.914 -7.634) 12.532 2.436 ( -1.154 2.090 -10.831) 11.091 2.574 ( -3.256 -4.320 -5.337) 7.599 2.595 ( -11.857 -8.626 -3.853) 15.161 2.821 ( -4.852 -5.333 -6.542) 9.735 3.155 ( -4.425 8.534 2.553) 9.947 3.275 ( -6.184 5.146 1.996) 8.288 3.298 ( 4.579 14.384 8.365) 17.258 3.484 ( -0.359 -0.647 -8.714) 8.745 3.508 ( 0.518 1.548 -9.771) 9.906 3.670 ( 1.198 6.297 1.466) 6.576 3.990 ( 7.490 1.912 0.308) 7.736 4.158 ( -1.620 4.005 1.923) 4.729 4.300 ( -10.810 -2.305 -8.393) 13.878 4.377 ( 2.605 5.105 2.988) 6.463 4.458 ( 3.724 -6.259 -0.701) 7.317 4.708 ( 8.529 -8.992 7.500) 14.486 4.885 ( 0.205 -4.078 -0.938) 4.190 4.924 ( -4.179 -1.375 3.428) 5.578 5.195 ( -5.528 4.510 1.042) 7.210 5.282 ( -6.700 7.055 0.179) 9.731 5.421 ( -3.012 -2.248 -6.475) 7.487 5.613 ( -10.242 -5.288 -1.487) 11.622 6.083 ( 11.284 13.685 4.138) 18.214 6.370 ( 7.019 -2.175 0.866) 7.399 6.443 ( 9.368 2.009 2.850) 9.996 6.641 ( 8.614 -4.914 5.770) 11.473 7.425 ( 5.741 3.222 2.170) 6.932 7.652 ( 8.948 -7.593 -3.825) 12.343 8.055 ( -7.857 3.688 -2.718) 9.095 8.257 ( -8.249 -5.144 -2.620) 10.068 8.989 ( 3.989 6.164 6.150) 9.578 9.154 ( 6.486 -3.026 1.009) 7.228 9.318 ( -0.477 7.888 6.443) 10.196 9.500 ( 4.993 2.884 -3.332) 6.659 9.862 ( -0.918 -2.967 -13.585) 13.935 9.933 ( -0.293 -6.212 -1.372) 6.369 10.109 ( -5.466 3.033 -2.286) 6.656 10.348 ( -3.733 -5.582 -4.635) 8.160 11.140 ( 2.417 12.683 10.806) 16.836 11.367 ( -4.820 7.175 16.244) 18.401 11.623 ( 6.640 -5.057 3.206) 8.941 11.678 ( 4.689 11.361 -0.188) 12.292 11.774 ( 1.420 2.270 4.073) 4.874 12.592 ( 29.808 -10.702 19.546) 37.217 12.881 ( 29.561 11.669 24.797) 40.310 13.365 ( -22.069 15.283 -22.361) 34.938 13.912 ( 5.806 -36.368 5.420) 37.226 14.184 ( -7.628 -24.855 -9.863) 27.807 14.870 ( -0.624 2.005 -2.102) 2.971 15.011 ( -0.722 -4.223 -3.553) 5.566 16.905 ( 4.681 3.724 0.985) 6.062 16.961 ( 2.715 2.568 -3.464) 5.096 17.307 ( -1.711 7.020 0.495) 7.242 17.335 ( -2.958 4.879 0.651) 5.743 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 4.565 -5.130 6.548) 9.489 1.647 ( -0.763 2.555 6.943) 7.438 1.811 ( 1.734 -13.120 -1.453) 13.314 1.965 ( -3.809 -4.159 -1.950) 5.967 2.099 ( 0.109 -5.593 0.353) 5.605 2.199 ( -6.628 -12.649 -4.351) 14.929 2.352 ( -6.754 -1.448 -3.945) 7.954 2.462 ( -3.357 -0.089 -4.262) 5.426 2.552 ( 1.149 -6.652 -2.040) 7.053 2.710 ( 1.138 -1.959 -1.422) 2.675 3.000 ( -8.241 2.315 0.329) 8.566 3.145 ( -7.145 -2.308 0.247) 7.512 3.368 ( 2.620 7.745 -6.789) 10.628 3.489 ( -1.773 0.907 -9.460) 9.667 3.559 ( 2.216 6.737 -11.654) 13.642 3.746 ( 1.962 2.586 -6.027) 6.845 4.013 ( -3.030 0.888 -9.751) 10.250 4.155 ( -0.254 9.144 -2.650) 9.524 4.226 ( 9.015 4.570 1.126) 10.170 4.451 ( 2.974 8.390 2.696) 9.301 4.541 ( 3.089 -2.743 0.372) 4.148 4.795 ( -5.702 -2.310 1.280) 6.283 4.916 ( 6.893 -6.831 3.708) 10.388 4.954 ( 3.995 1.252 2.818) 5.046 5.046 ( -2.986 2.851 4.874) 6.387 5.167 ( -5.626 2.885 3.780) 7.366 5.329 ( -5.673 -2.594 -0.636) 6.270 5.387 ( -10.897 -4.732 2.016) 12.050 6.298 ( 8.835 12.571 6.065) 16.519 6.458 ( 1.545 3.847 2.690) 4.942 6.633 ( 8.292 -2.746 6.663) 10.986 6.770 ( 3.199 -6.423 10.310) 12.561 7.549 ( 6.361 4.571 -1.931) 8.067 7.795 ( 3.631 -3.883 -5.479) 7.634 7.893 ( -5.973 0.949 -4.197) 7.362 8.089 ( -7.627 -5.205 -4.529) 10.285 9.085 ( 5.057 7.201 6.511) 10.946 9.271 ( -1.770 7.811 5.983) 9.997 9.333 ( 7.971 -4.426 -0.764) 9.150 9.593 ( 2.474 -1.687 -2.388) 3.830 9.797 ( -3.294 -2.066 -8.657) 9.490 9.939 ( -3.032 3.226 -0.476) 4.453 10.027 ( 1.111 -3.602 -3.834) 5.377 10.250 ( -5.598 -5.577 -3.643) 8.701 11.191 ( 2.445 11.954 10.649) 16.195 11.289 ( -2.807 9.277 14.262) 17.244 11.671 ( 1.505 -9.154 4.017) 10.109 11.730 ( -0.844 -9.857 2.727) 10.262 11.985 ( 16.303 29.729 -11.646) 35.850 12.800 ( -20.005 19.313 -21.022) 34.859 13.281 ( 26.019 -18.187 8.051) 32.750 13.579 ( 30.714 1.879 21.942) 37.793 14.001 ( -5.150 -29.613 -4.589) 30.406 14.122 ( 10.891 -23.945 8.453) 27.631 14.705 ( -15.157 1.897 9.874) 18.189 14.852 ( -14.184 -4.438 7.785) 16.777 17.023 ( 6.277 4.385 -3.260) 8.322 17.051 ( 5.493 4.580 -6.644) 9.762 17.251 ( -3.770 6.157 -2.181) 7.542 17.264 ( -3.911 5.331 -2.173) 6.959 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -1.431 -6.891 7.938) 10.608 1.612 ( 1.431 -6.891 7.938) 10.608 1.881 ( -5.183 -13.620 -3.277) 14.936 1.881 ( 5.183 -13.620 -3.277) 14.936 2.126 ( -5.574 0.238 -2.656) 6.179 2.126 ( 5.574 0.238 -2.656) 6.179 2.319 ( -5.881 -6.513 0.352) 8.782 2.319 ( 5.881 -6.513 0.352) 8.782 2.693 ( -8.789 5.731 0.402) 10.500 2.693 ( 8.789 5.731 0.402) 10.500 2.972 ( -8.139 -6.202 -1.865) 10.401 2.972 ( 8.139 -6.202 -1.865) 10.401 3.437 ( -3.249 4.648 -10.783) 12.184 3.437 ( 3.249 4.648 -10.783) 12.184 3.627 ( -6.269 -0.776 -16.609) 17.770 3.627 ( 6.269 -0.776 -16.609) 17.770 4.112 ( -5.120 6.534 -4.334) 9.364 4.112 ( 5.120 6.534 -4.334) 9.364 4.424 ( -7.691 6.950 0.014) 10.366 4.424 ( 7.691 6.950 0.014) 10.366 4.615 ( -6.525 4.817 3.927) 9.012 4.615 ( 6.525 4.817 3.927) 9.012 5.033 ( -5.296 4.780 6.935) 9.949 5.033 ( 5.296 4.780 6.935) 9.949 5.074 ( -3.185 -9.611 -1.006) 10.175 5.074 ( 3.185 -9.611 -1.006) 10.175 5.230 ( -0.645 -2.206 5.617) 6.069 5.230 ( 0.645 -2.206 5.617) 6.069 6.433 ( -3.985 8.911 4.996) 10.966 6.433 ( 3.985 8.911 4.996) 10.966 6.763 ( -3.698 -5.852 9.734) 11.944 6.763 ( 3.698 -5.852 9.734) 11.944 7.695 ( -7.579 5.059 -2.949) 9.578 7.695 ( 7.579 5.059 -2.949) 9.578 7.947 ( -6.066 -6.065 -6.365) 10.682 7.947 ( 6.066 -6.065 -6.365) 10.682 9.190 ( -4.875 8.558 6.445) 11.770 9.190 ( 4.875 8.558 6.445) 11.770 9.520 ( -8.235 -7.709 -3.249) 11.739 9.520 ( 8.235 -7.709 -3.249) 11.739 9.828 ( -5.300 4.850 -2.970) 7.774 9.828 ( 5.300 4.850 -2.970) 7.774 10.125 ( -6.125 -5.493 -3.114) 8.797 10.125 ( 6.125 -5.493 -3.114) 8.797 11.239 ( -2.234 10.448 12.032) 16.091 11.239 ( 2.234 10.448 12.032) 16.091 11.703 ( -1.515 -9.703 3.296) 10.359 11.703 ( 1.515 -9.703 3.296) 10.359 12.366 ( -20.092 27.616 -18.615) 38.896 12.366 ( 20.092 27.616 -18.615) 38.896 13.717 ( -14.221 -33.251 -3.435) 36.327 13.717 ( 14.221 -33.251 -3.435) 36.327 14.265 ( -25.885 2.100 18.490) 31.880 14.265 ( 25.885 2.100 18.490) 31.880 14.473 ( -20.154 -8.222 13.863) 25.807 14.473 ( 20.154 -8.222 13.863) 25.807 17.147 ( -4.021 5.057 -3.626) 7.409 17.147 ( 4.021 5.057 -3.626) 7.409 17.172 ( -3.622 5.463 -5.564) 8.598 17.172 ( 3.622 5.463 -5.564) 8.598 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 -16.650 3.366) 16.987 1.485 ( 0.000 16.650 3.366) 16.987 1.831 ( 0.000 -17.061 11.456) 20.551 1.831 ( 0.000 17.061 11.456) 20.551 2.260 ( 0.000 -6.264 -8.371) 10.455 2.260 ( 0.000 6.264 -8.371) 10.455 2.646 ( 0.000 -0.983 -7.123) 7.190 2.646 ( 0.000 0.983 -7.123) 7.190 3.016 ( 0.000 -5.649 -15.162) 16.180 3.016 ( 0.000 5.649 -15.162) 16.180 3.126 ( 0.000 -12.461 -2.630) 12.735 3.126 ( 0.000 12.461 -2.630) 12.735 3.501 ( 0.000 -12.737 4.529) 13.518 3.501 ( 0.000 12.737 4.529) 13.518 3.883 ( 0.000 -8.465 5.794) 10.258 3.883 ( 0.000 8.465 5.794) 10.258 3.939 ( 0.000 -9.137 9.868) 13.448 3.939 ( 0.000 9.137 9.868) 13.448 4.152 ( 0.000 -12.308 -2.768) 12.615 4.152 ( 0.000 12.308 -2.768) 12.615 4.524 ( 0.000 -11.149 3.630) 11.725 4.524 ( 0.000 11.149 3.630) 11.725 5.022 ( 0.000 -5.370 5.035) 7.362 5.022 ( 0.000 5.370 5.035) 7.362 5.452 ( 0.000 -5.569 -11.066) 12.389 5.452 ( 0.000 5.569 -11.066) 12.389 5.698 ( 0.000 -6.597 -5.400) 8.525 5.698 ( 0.000 6.597 -5.400) 8.525 5.845 ( 0.000 -1.480 -2.682) 3.063 5.845 ( 0.000 1.480 -2.682) 3.063 6.299 ( 0.000 -5.308 -2.828) 6.014 6.299 ( 0.000 5.308 -2.828) 6.014 7.302 ( 0.000 -2.126 10.814) 11.021 7.302 ( 0.000 2.126 10.814) 11.021 8.361 ( 0.000 -6.097 -1.309) 6.236 8.361 ( 0.000 6.097 -1.309) 6.236 8.988 ( 0.000 -2.995 2.846) 4.131 8.988 ( 0.000 2.995 2.846) 4.131 9.404 ( 0.000 -2.718 2.165) 3.475 9.404 ( 0.000 2.718 2.165) 3.475 9.843 ( 0.000 -2.112 -10.779) 10.984 9.843 ( 0.000 2.112 -10.779) 10.984 10.324 ( 0.000 -4.349 -4.173) 6.027 10.324 ( 0.000 4.349 -4.173) 6.027 11.245 ( 0.000 -8.314 14.763) 16.943 11.245 ( 0.000 8.314 14.763) 16.943 11.557 ( 0.000 -2.911 10.402) 10.802 11.557 ( 0.000 2.911 10.402) 10.802 11.840 ( 0.000 -2.980 20.923) 21.134 11.840 ( 0.000 2.980 20.923) 21.134 12.902 ( 0.000 -43.864 8.377) 44.656 12.902 ( 0.000 43.864 8.377) 44.656 14.440 ( 0.000 -0.230 -16.843) 16.845 14.440 ( 0.000 0.230 -16.843) 16.845 14.526 ( 0.000 -8.529 -21.373) 23.012 14.526 ( 0.000 8.529 -21.373) 23.012 16.890 ( 0.000 -3.532 7.358) 8.162 16.890 ( 0.000 3.532 7.358) 8.162 17.428 ( 0.000 -1.647 4.016) 4.341 17.428 ( 0.000 1.647 4.016) 4.341 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 2.534 -15.382 1.946) 15.710 1.518 ( 2.534 15.382 1.946) 15.710 1.822 ( 0.296 -16.333 9.578) 18.936 1.822 ( 0.296 16.333 9.578) 18.936 2.232 ( -2.928 -6.466 -5.745) 9.132 2.232 ( -2.928 6.466 -5.745) 9.132 2.665 ( -1.940 -3.547 -4.066) 5.733 2.665 ( -1.940 3.547 -4.066) 5.733 2.787 ( -11.719 -9.252 -17.872) 23.288 2.787 ( -11.719 9.252 -17.872) 23.288 3.317 ( 10.886 -11.111 -2.318) 15.727 3.317 ( 10.886 11.111 -2.318) 15.727 3.503 ( 0.424 -10.762 5.435) 12.065 3.503 ( 0.424 10.762 5.435) 12.065 3.600 ( -14.418 -1.438 5.571) 15.524 3.600 ( -14.418 1.438 5.571) 15.524 4.112 ( 2.858 -13.115 3.665) 13.914 4.112 ( 2.858 13.115 3.665) 13.914 4.220 ( 7.113 -3.814 -1.229) 8.164 4.220 ( 7.113 3.814 -1.229) 8.164 4.498 ( -1.293 -8.330 2.928) 8.924 4.498 ( -1.293 8.330 2.928) 8.924 4.940 ( -6.039 -4.096 3.974) 8.309 4.940 ( -6.039 4.096 3.974) 8.309 5.387 ( -3.611 -6.243 -8.256) 10.962 5.387 ( -3.611 6.243 -8.256) 10.962 5.633 ( -5.580 -9.682 -3.278) 11.645 5.633 ( -5.580 9.682 -3.278) 11.645 6.034 ( 12.989 -7.388 -1.193) 14.991 6.034 ( 12.989 7.388 -1.193) 14.991 6.372 ( 6.447 -5.453 -0.977) 8.501 6.372 ( 6.447 5.453 -0.977) 8.501 7.368 ( 5.897 -3.245 6.776) 9.551 7.368 ( 5.897 3.245 6.776) 9.551 8.297 ( -5.675 -5.755 -1.558) 8.231 8.297 ( -5.675 5.755 -1.558) 8.231 9.013 ( 2.374 -3.098 3.091) 4.979 9.013 ( 2.374 3.098 3.091) 4.979 9.428 ( 2.099 -3.471 2.005) 4.524 9.428 ( 2.099 3.471 2.005) 4.524 9.844 ( -0.044 -1.743 -10.103) 10.252 9.844 ( -0.044 1.743 -10.103) 10.252 10.293 ( -2.786 -5.282 -3.309) 6.827 10.293 ( -2.786 5.282 -3.309) 6.827 11.312 ( 4.932 -10.393 10.521) 15.590 11.312 ( 4.932 10.393 10.521) 15.590 11.562 ( -0.091 -4.913 9.376) 10.585 11.562 ( -0.091 4.913 9.376) 10.585 11.932 ( 9.984 -9.430 20.560) 24.725 11.932 ( 9.984 9.430 20.560) 24.725 12.985 ( 8.216 -39.487 10.315) 41.630 12.985 ( 8.216 39.487 10.315) 41.630 14.091 ( -18.564 -11.865 -19.177) 29.209 14.091 ( -18.564 11.865 -19.177) 29.209 14.808 ( 11.689 -4.192 -13.895) 18.635 14.808 ( 11.689 4.192 -13.895) 18.635 16.904 ( 1.592 -2.930 4.712) 5.773 16.904 ( 1.592 2.930 4.712) 5.773 17.417 ( -1.057 -1.252 3.164) 3.563 17.417 ( -1.057 1.252 3.164) 3.563 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 1.351 -11.090 0.182) 11.173 1.562 ( 1.351 11.090 0.182) 11.173 1.866 ( 2.945 -13.607 6.868) 15.524 1.866 ( 2.945 13.607 6.868) 15.524 2.120 ( -7.953 -8.223 -0.983) 11.482 2.120 ( -7.953 8.223 -0.983) 11.482 2.473 ( -8.081 -4.228 -7.868) 12.045 2.473 ( -8.081 4.228 -7.868) 12.045 2.677 ( -4.860 -8.251 -11.162) 14.706 2.677 ( -4.860 8.251 -11.162) 14.706 3.279 ( -11.119 -3.408 2.557) 11.908 3.279 ( -11.119 3.408 2.557) 11.908 3.475 ( 0.227 -2.124 -8.245) 8.517 3.475 ( 0.227 2.124 -8.245) 8.517 3.644 ( 10.105 -12.475 7.975) 17.926 3.644 ( 10.105 12.475 7.975) 17.926 4.080 ( -2.927 -8.382 -4.601) 10.000 4.080 ( -2.927 8.382 -4.601) 10.000 4.337 ( 3.085 -4.807 -3.277) 6.585 4.337 ( 3.085 4.807 -3.277) 6.585 4.546 ( 6.175 -7.831 5.452) 11.366 4.546 ( 6.175 7.831 5.452) 11.366 4.848 ( -2.076 -2.735 3.295) 4.759 4.848 ( -2.076 2.735 3.295) 4.759 5.307 ( -4.662 -4.942 -3.739) 7.755 5.307 ( -4.662 4.942 -3.739) 7.755 5.481 ( -8.603 -7.446 0.545) 11.391 5.481 ( -8.603 7.446 0.545) 11.391 6.292 ( 11.372 -6.534 2.687) 13.388 6.292 ( 11.372 6.534 2.687) 13.388 6.523 ( 6.903 -5.947 3.719) 9.841 6.523 ( 6.903 5.947 3.719) 9.841 7.515 ( 7.527 -5.799 -0.583) 9.519 7.515 ( 7.527 5.799 -0.583) 9.519 8.149 ( -8.094 -5.377 -2.382) 10.005 8.149 ( -8.094 5.377 -2.382) 10.005 9.088 ( 4.878 -3.844 3.059) 6.924 9.088 ( 4.878 3.844 3.059) 6.924 9.475 ( 1.737 -6.132 1.830) 6.631 9.475 ( 1.737 6.132 1.830) 6.631 9.840 ( -0.042 -2.744 -8.209) 8.655 9.840 ( -0.042 2.744 -8.209) 8.655 10.215 ( -4.654 -6.821 -2.030) 8.503 10.215 ( -4.654 6.821 -2.030) 8.503 11.397 ( 3.022 -12.442 7.173) 14.676 11.397 ( 3.022 12.442 7.173) 14.676 11.542 ( -1.594 -9.411 8.644) 12.877 11.542 ( -1.594 9.411 8.644) 12.877 12.254 ( 19.186 -23.417 9.448) 31.713 12.254 ( 19.186 23.417 9.448) 31.713 13.255 ( 17.659 -26.608 15.557) 35.522 13.255 ( 17.659 26.608 15.557) 35.522 13.725 ( -16.033 -20.684 -16.689) 31.039 13.725 ( -16.033 20.684 -16.689) 31.039 14.930 ( -0.770 -3.704 -2.754) 4.679 14.930 ( -0.770 3.704 -2.754) 4.679 16.966 ( 4.541 -1.837 -1.072) 5.014 16.966 ( 4.541 1.837 -1.072) 5.014 17.382 ( -2.326 -0.515 1.032) 2.596 17.382 ( -2.326 0.515 1.032) 2.596 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.102 -6.146 2.735) 6.728 1.568 ( -0.102 6.146 2.735) 6.728 1.808 ( -9.868 -10.515 3.034) 14.736 1.808 ( -9.868 10.515 3.034) 14.736 2.047 ( 4.191 -3.254 1.653) 5.557 2.047 ( 4.191 3.254 1.653) 5.557 2.375 ( -6.189 -4.104 -6.309) 9.744 2.375 ( -6.189 4.104 -6.309) 9.744 2.622 ( 4.429 -6.367 -4.880) 9.163 2.622 ( 4.429 6.367 -4.880) 9.163 3.076 ( -9.613 -4.255 1.460) 10.613 3.076 ( -9.613 4.255 1.460) 10.613 3.481 ( 1.009 -2.948 -11.886) 12.287 3.481 ( 1.009 2.948 -11.886) 12.287 3.674 ( -6.293 -5.751 -9.538) 12.792 3.674 ( -6.293 5.751 -9.538) 12.792 4.158 ( 9.542 -10.152 -1.730) 14.040 4.158 ( 9.542 10.152 -1.730) 14.040 4.375 ( 0.490 -10.288 -4.562) 11.265 4.375 ( 0.490 10.288 -4.562) 11.265 4.693 ( 7.149 -10.972 5.734) 14.296 4.693 ( 7.149 10.972 5.734) 14.296 4.849 ( 1.391 -6.634 2.579) 7.253 4.849 ( 1.391 6.634 2.579) 7.253 5.192 ( -5.662 -4.956 3.763) 8.413 5.192 ( -5.662 4.956 3.763) 8.413 5.297 ( -8.642 -3.014 3.644) 9.851 5.297 ( -8.642 3.014 3.644) 9.851 6.496 ( 8.076 -4.214 5.371) 10.575 6.496 ( 8.076 4.214 5.371) 10.575 6.624 ( 2.448 -5.675 7.123) 9.431 6.624 ( 2.448 5.675 7.123) 9.431 7.666 ( 7.073 -6.869 -4.640) 10.897 7.666 ( 7.073 6.869 -4.640) 10.897 7.978 ( -8.176 -5.606 -3.666) 10.569 7.978 ( -8.176 5.606 -3.666) 10.569 9.212 ( 6.878 -5.743 1.986) 9.178 9.212 ( 6.878 5.743 1.986) 9.178 9.466 ( -3.060 -9.107 0.885) 9.648 9.466 ( -3.060 9.107 0.885) 9.648 9.869 ( 3.387 -6.915 -4.739) 9.042 9.869 ( 3.387 6.915 -4.739) 9.042 10.102 ( -6.052 -8.004 -1.311) 10.119 10.102 ( -6.052 8.004 -1.311) 10.119 11.445 ( 1.797 -12.357 6.807) 14.222 11.445 ( 1.797 12.357 6.807) 14.222 11.508 ( -1.541 -11.478 7.994) 14.073 11.508 ( -1.541 11.478 7.994) 14.073 12.649 ( 18.064 -33.600 -4.985) 38.472 12.649 ( 18.064 33.600 -4.985) 38.472 13.333 ( -14.714 -25.233 -13.902) 32.349 13.333 ( -14.714 25.233 -13.902) 32.349 13.792 ( 25.570 -9.139 19.222) 33.269 13.792 ( 25.570 9.139 19.222) 33.269 14.766 ( -14.731 -3.915 8.795) 17.598 14.766 ( -14.731 3.915 8.795) 17.598 17.084 ( 6.416 -1.141 -4.676) 8.020 17.084 ( 6.416 1.141 -4.676) 8.020 17.317 ( -4.019 -0.384 -1.701) 4.381 17.317 ( -4.019 0.384 -1.701) 4.381 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -5.573 -8.190 4.735) 10.979 1.620 ( 3.830 -7.936 4.735) 10.003 1.620 ( -3.830 7.936 4.735) 10.003 1.620 ( 5.573 8.190 4.735) 10.979 2.197 ( -8.220 -5.007 -2.829) 10.032 2.197 ( -1.555 -2.963 -2.829) 4.382 2.197 ( 1.555 2.963 -2.829) 4.382 2.197 ( 8.220 5.007 -2.829) 10.032 2.837 ( -11.918 -7.054 -0.420) 13.855 2.837 ( -2.437 -3.968 -0.420) 4.676 2.837 ( 2.437 3.968 -0.420) 4.676 2.837 ( 11.918 7.054 -0.420) 13.855 3.540 ( -3.313 -5.368 -15.197) 16.454 3.540 ( -0.281 -5.108 -15.197) 16.035 3.540 ( 0.281 5.108 -15.197) 16.035 3.540 ( 3.313 5.368 -15.197) 16.454 4.330 ( -5.425 -11.882 -3.875) 13.624 4.330 ( 5.424 -11.882 -3.875) 13.624 4.330 ( -5.424 11.882 -3.875) 13.624 4.330 ( 5.425 11.882 -3.875) 13.624 4.828 ( -4.753 -13.466 3.861) 14.793 4.828 ( 4.678 -13.460 3.861) 14.763 4.828 ( -4.678 13.460 3.861) 14.763 4.828 ( 4.753 13.466 3.861) 14.793 5.155 ( -3.005 -5.567 6.738) 9.242 5.155 ( 1.764 -5.432 6.738) 8.833 5.155 ( -1.764 5.432 6.738) 8.833 5.155 ( 3.005 5.567 6.738) 9.242 6.616 ( -2.067 -8.617 7.170) 11.399 6.616 ( 1.182 -8.575 7.170) 11.240 6.616 ( -1.182 8.575 7.170) 11.240 6.616 ( 2.067 8.617 7.170) 11.399 7.815 ( -7.304 -6.662 -4.900) 11.033 7.815 ( 5.955 -6.317 -4.900) 9.969 7.815 ( -5.955 6.317 -4.900) 9.969 7.815 ( 7.304 6.662 -4.900) 11.033 9.358 ( -6.688 -8.255 0.724) 10.649 9.358 ( 6.520 -8.222 0.724) 10.518 9.358 ( -6.520 8.222 0.724) 10.518 9.358 ( 6.688 8.255 0.724) 10.649 9.973 ( -5.991 -8.569 -1.948) 10.635 9.973 ( 5.690 -8.517 -1.948) 10.427 9.973 ( -5.690 8.517 -1.948) 10.427 9.973 ( 5.991 8.569 -1.948) 10.635 11.478 ( -1.386 -12.367 7.226) 14.390 11.478 ( 1.377 -12.367 7.226) 14.389 11.478 ( -1.377 12.367 7.226) 14.389 11.478 ( 1.386 12.367 7.226) 14.390 13.004 ( -15.763 -35.286 -12.161) 40.515 13.004 ( 14.848 -35.187 -12.161) 40.081 13.004 ( -14.848 35.187 -12.161) 40.081 13.004 ( 15.763 35.286 -12.161) 40.515 14.344 ( -24.987 -5.240 17.173) 30.769 14.344 ( -24.961 5.209 17.173) 30.742 14.344 ( 24.961 -5.209 17.173) 30.742 14.344 ( 24.987 5.240 17.173) 30.769 17.215 ( -5.663 -0.915 -4.201) 7.110 17.215 ( -5.429 0.434 -4.201) 6.879 17.215 ( 5.429 -0.434 -4.201) 6.879 17.215 ( 5.663 0.915 -4.201) 7.110 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 0.000 19.899) 19.899 1.438 ( 0.000 0.000 20.983) 20.983 2.059 ( 0.000 0.000 -4.440) 4.440 2.240 ( 0.000 0.000 -0.057) 0.057 2.331 ( 0.000 0.000 -3.360) 3.360 2.347 ( 0.000 0.000 -11.171) 11.171 2.566 ( 0.000 0.000 -0.722) 0.722 2.623 ( 0.000 0.000 14.080) 14.080 2.737 ( 0.000 0.000 2.797) 2.797 2.768 ( 0.000 0.000 -1.836) 1.836 2.855 ( 0.000 0.000 -7.046) 7.046 2.939 ( 0.000 0.000 -13.630) 13.630 3.350 ( 0.000 0.000 9.468) 9.468 3.417 ( 0.000 0.000 2.730) 2.730 3.710 ( 0.000 0.000 6.341) 6.341 3.811 ( 0.000 0.000 9.948) 9.948 4.221 ( 0.000 0.000 2.937) 2.937 4.263 ( 0.000 0.000 -5.732) 5.732 4.521 ( 0.000 0.000 8.564) 8.564 4.523 ( 0.000 0.000 -4.347) 4.347 4.524 ( 0.000 0.000 -0.435) 0.435 4.681 ( 0.000 0.000 -2.917) 2.917 4.742 ( 0.000 0.000 -5.170) 5.170 4.890 ( 0.000 0.000 -9.927) 9.927 5.183 ( 0.000 0.000 -23.202) 23.202 5.413 ( 0.000 0.000 -9.401) 9.401 5.459 ( 0.000 0.000 17.935) 17.935 5.667 ( 0.000 0.000 -0.004) 0.004 5.692 ( 0.000 0.000 -1.848) 1.848 6.080 ( 0.000 0.000 1.055) 1.055 6.194 ( 0.000 0.000 -7.805) 7.805 6.242 ( 0.000 0.000 -2.022) 2.022 7.347 ( 0.000 0.000 7.664) 7.664 7.684 ( 0.000 0.000 8.440) 8.440 8.072 ( 0.000 0.000 0.864) 0.864 8.580 ( 0.000 0.000 -3.798) 3.798 8.843 ( 0.000 0.000 5.929) 5.929 9.094 ( 0.000 0.000 -3.112) 3.112 9.102 ( 0.000 0.000 2.860) 2.860 9.415 ( 0.000 0.000 13.766) 13.766 9.592 ( 0.000 0.000 -14.259) 14.259 9.997 ( 0.000 0.000 -4.308) 4.308 10.114 ( 0.000 0.000 -6.852) 6.852 10.315 ( 0.000 0.000 -13.671) 13.671 11.240 ( 0.000 0.000 18.780) 18.780 11.515 ( 0.000 0.000 24.680) 24.680 11.845 ( 0.000 0.000 -1.684) 1.684 11.934 ( 0.000 0.000 5.389) 5.389 11.981 ( 0.000 0.000 3.461) 3.461 12.040 ( 0.000 0.000 39.252) 39.252 12.615 ( 0.000 0.000 30.179) 30.179 13.414 ( 0.000 0.000 -36.888) 36.888 14.020 ( 0.000 0.000 -23.518) 23.518 14.207 ( 0.000 0.000 -20.374) 20.374 14.890 ( 0.000 0.000 1.329) 1.329 14.990 ( 0.000 0.000 -1.759) 1.759 16.985 ( 0.000 0.000 8.604) 8.604 17.010 ( 0.000 0.000 1.280) 1.280 17.067 ( 0.000 0.000 -0.255) 0.255 17.179 ( 0.000 0.000 -0.392) 0.392 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 7.516 0.000 17.251) 18.817 1.442 ( 1.479 0.000 20.310) 20.364 2.068 ( 0.669 0.000 -6.204) 6.240 2.243 ( -1.900 0.000 -11.686) 11.839 2.343 ( 0.930 0.000 -1.413) 1.691 2.411 ( 6.162 0.000 -3.938) 7.313 2.569 ( -0.326 0.000 -3.448) 3.463 2.676 ( -3.870 0.000 -3.018) 4.907 2.728 ( 8.652 0.000 13.334) 15.895 2.765 ( -0.021 0.000 -0.109) 0.111 2.900 ( 3.468 0.000 -4.175) 5.427 3.001 ( 5.397 0.000 -7.511) 9.249 3.139 ( -15.380 0.000 8.083) 17.375 3.320 ( -7.975 0.000 6.500) 10.289 3.736 ( -5.997 0.000 6.940) 9.172 3.777 ( 2.429 0.000 -0.995) 2.625 4.116 ( -12.850 0.000 -5.082) 13.818 4.191 ( -4.362 0.000 3.601) 5.656 4.408 ( -4.584 0.000 1.851) 4.944 4.436 ( -4.840 0.000 4.201) 6.409 4.531 ( -2.508 0.000 -1.298) 2.824 4.739 ( -3.698 0.000 -3.652) 5.198 4.788 ( 8.443 0.000 -2.600) 8.834 4.914 ( 2.722 0.000 -6.566) 7.108 5.145 ( -2.888 0.000 -21.786) 21.977 5.257 ( -8.969 0.000 -5.077) 10.306 5.562 ( -6.580 0.000 3.316) 7.368 5.599 ( 11.908 0.000 15.187) 19.299 5.759 ( -1.093 0.000 -6.189) 6.285 6.227 ( 12.587 0.000 3.167) 12.980 6.248 ( 4.660 0.000 -6.689) 8.152 6.427 ( 16.000 0.000 -2.723) 16.231 7.389 ( 3.257 0.000 6.126) 6.938 7.735 ( 4.172 0.000 4.886) 6.425 8.029 ( -4.118 0.000 0.690) 4.176 8.500 ( -7.032 0.000 -3.430) 7.824 8.880 ( 3.403 0.000 6.838) 7.638 9.138 ( 3.390 0.000 2.324) 4.110 9.146 ( 4.787 0.000 -2.621) 5.458 9.416 ( 0.216 0.000 13.093) 13.095 9.608 ( 1.453 0.000 -13.714) 13.791 10.019 ( 1.591 0.000 -5.069) 5.313 10.099 ( -1.209 0.000 -5.752) 5.878 10.285 ( -2.855 0.000 -12.960) 13.271 11.200 ( -18.405 0.000 21.931) 28.631 11.259 ( 1.652 0.000 17.636) 17.713 11.779 ( -6.815 0.000 7.342) 10.018 11.913 ( -1.884 0.000 1.217) 2.243 11.944 ( -0.803 0.000 1.681) 1.863 12.493 ( 31.212 0.000 35.303) 47.122 12.833 ( 20.395 0.000 30.930) 37.049 13.019 ( -27.606 0.000 -34.042) 43.829 14.319 ( 18.533 0.000 -21.424) 28.328 14.452 ( 20.191 0.000 -21.943) 29.819 14.895 ( 0.463 0.000 1.121) 1.213 14.996 ( 0.726 0.000 -1.822) 1.962 16.949 ( -8.427 0.000 1.574) 8.573 16.963 ( -2.054 0.000 7.708) 7.977 17.003 ( -2.631 0.000 -0.090) 2.633 17.163 ( -1.591 0.000 -0.870) 1.813 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 6.869 0.000 14.712) 16.237 1.551 ( 9.958 0.000 10.981) 14.823 2.056 ( -3.051 0.000 -9.031) 9.532 2.177 ( -3.978 0.000 -10.852) 11.558 2.367 ( 1.685 0.000 1.509) 2.262 2.504 ( 1.271 0.000 -5.347) 5.496 2.545 ( -1.619 0.000 -4.861) 5.124 2.574 ( -4.978 0.000 -1.643) 5.242 2.720 ( -8.041 0.000 6.558) 10.376 2.876 ( -1.321 0.000 2.476) 2.807 2.918 ( 5.506 0.000 -7.421) 9.241 2.991 ( 1.700 0.000 -3.612) 3.992 3.149 ( -0.522 0.000 -9.404) 9.418 3.227 ( 12.181 0.000 25.126) 27.923 3.583 ( -8.617 0.000 4.288) 9.625 3.666 ( -13.213 0.000 -16.958) 21.498 3.800 ( -15.803 0.000 -3.465) 16.178 4.160 ( 3.933 0.000 11.285) 11.950 4.348 ( -2.784 0.000 6.486) 7.058 4.382 ( 0.021 0.000 6.247) 6.247 4.470 ( -2.067 0.000 -7.244) 7.533 4.642 ( -4.083 0.000 -1.983) 4.539 4.933 ( -1.555 0.000 -5.504) 5.719 4.935 ( -2.875 0.000 -3.010) 4.162 4.978 ( -5.292 0.000 -16.245) 17.086 5.199 ( 1.776 0.000 -3.561) 3.980 5.433 ( -5.532 0.000 4.736) 7.282 5.662 ( -6.367 0.000 -4.040) 7.541 5.886 ( 14.492 0.000 12.048) 18.846 6.354 ( 4.688 0.000 -3.575) 5.896 6.536 ( 16.059 0.000 5.772) 17.065 6.786 ( 16.602 0.000 -0.156) 16.603 7.455 ( 2.751 0.000 4.277) 5.086 7.815 ( 2.762 0.000 -2.565) 3.769 7.909 ( -7.021 0.000 1.364) 7.152 8.318 ( -9.863 0.000 -3.217) 10.374 8.975 ( 5.502 0.000 9.398) 10.890 9.243 ( 6.637 0.000 0.035) 6.637 9.263 ( 4.966 0.000 1.474) 5.180 9.438 ( 2.858 0.000 9.256) 9.687 9.642 ( 1.401 0.000 -12.651) 12.729 10.024 ( -1.468 0.000 -4.278) 4.522 10.083 ( -0.211 0.000 -5.683) 5.687 10.196 ( -5.985 0.000 -9.498) 11.227 10.914 ( -7.581 0.000 8.468) 11.365 11.302 ( 2.474 0.000 16.106) 16.295 11.620 ( -7.057 0.000 15.418) 16.957 11.893 ( -0.143 0.000 -2.859) 2.862 11.939 ( -0.139 0.000 0.900) 0.911 12.383 ( -30.242 0.000 -33.528) 45.152 13.213 ( 34.500 0.000 32.282) 47.248 13.407 ( 33.134 0.000 29.742) 44.525 14.613 ( 8.206 0.000 -11.847) 14.412 14.876 ( 17.120 0.000 -16.638) 23.873 14.909 ( 0.910 0.000 1.173) 1.485 15.030 ( 2.512 0.000 -2.232) 3.360 16.740 ( -9.605 0.000 1.295) 9.692 16.913 ( -2.278 0.000 4.677) 5.203 16.941 ( -3.888 0.000 -3.032) 4.930 17.113 ( -3.248 0.000 -2.123) 3.880 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 9.753 0.000 5.935) 11.417 1.732 ( 6.690 0.000 2.428) 7.117 1.940 ( -6.591 0.000 -6.327) 9.136 2.079 ( -5.875 0.000 -8.697) 10.495 2.384 ( -0.797 0.000 -2.557) 2.679 2.453 ( -3.906 0.000 0.349) 3.921 2.485 ( -4.295 0.000 -0.582) 4.334 2.490 ( -4.648 0.000 2.380) 5.222 2.642 ( 5.359 0.000 5.716) 7.835 2.939 ( 3.456 0.000 -2.708) 4.390 2.987 ( 3.852 0.000 -6.759) 7.779 2.994 ( -0.776 0.000 -3.533) 3.617 3.137 ( 0.633 0.000 -7.681) 7.707 3.353 ( -14.733 0.000 -17.190) 22.640 3.399 ( -7.871 0.000 4.000) 8.829 3.513 ( -10.796 0.000 0.713) 10.819 3.637 ( 22.113 0.000 8.941) 23.852 4.267 ( 4.423 0.000 8.843) 9.888 4.338 ( 1.193 0.000 3.179) 3.396 4.367 ( -1.592 0.000 8.723) 8.867 4.448 ( -0.994 0.000 -6.397) 6.474 4.598 ( -19.118 0.000 -10.907) 22.011 4.618 ( 2.425 0.000 -2.464) 3.457 4.855 ( -5.514 0.000 -4.597) 7.179 5.044 ( 2.993 0.000 -3.813) 4.848 5.215 ( -2.679 0.000 -5.737) 6.332 5.369 ( 1.118 0.000 6.556) 6.651 5.540 ( -5.124 0.000 -0.490) 5.148 6.163 ( 11.600 0.000 8.861) 14.598 6.410 ( 0.162 0.000 0.686) 0.705 6.860 ( 14.433 0.000 8.469) 16.734 7.065 ( 9.035 0.000 5.836) 10.755 7.498 ( 1.718 0.000 2.320) 2.887 7.739 ( -8.327 0.000 -2.390) 8.663 7.867 ( 2.367 0.000 -3.663) 4.361 8.114 ( -9.299 0.000 -4.261) 10.228 9.095 ( 5.824 0.000 12.285) 13.596 9.288 ( -2.166 0.000 10.777) 10.993 9.399 ( 7.965 0.000 -3.596) 8.739 9.577 ( 9.694 0.000 1.208) 9.769 9.643 ( -1.926 0.000 -10.777) 10.948 9.996 ( -0.368 0.000 -3.499) 3.519 10.027 ( -10.061 0.000 -3.598) 10.685 10.065 ( -1.749 0.000 -6.095) 6.341 10.928 ( 8.921 0.000 -10.202) 13.552 11.360 ( 3.009 0.000 15.751) 16.036 11.503 ( -4.396 0.000 16.835) 17.400 11.772 ( -27.951 0.000 -29.737) 40.811 11.900 ( 0.690 0.000 -2.614) 2.704 11.932 ( -0.530 0.000 -0.390) 0.658 13.897 ( 30.093 0.000 24.062) 38.530 14.126 ( 34.129 0.000 25.011) 42.313 14.645 ( -4.750 0.000 -1.056) 4.866 14.942 ( 2.389 0.000 1.847) 3.020 15.042 ( -3.047 0.000 0.292) 3.061 15.061 ( -0.702 0.000 0.841) 1.096 16.622 ( -0.627 0.000 -5.439) 5.475 16.837 ( -6.118 0.000 -6.927) 9.242 16.891 ( 0.605 0.000 -0.157) 0.625 17.031 ( -4.445 0.000 -3.505) 5.661 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -3.967 0.000 -4.384) 5.912 1.831 ( 3.967 0.000 -4.384) 5.912 1.915 ( -9.675 0.000 -2.944) 10.113 1.915 ( 9.675 0.000 -2.944) 10.113 2.400 ( -3.095 0.000 2.802) 4.175 2.400 ( 3.095 0.000 2.802) 4.175 2.418 ( -1.166 0.000 1.588) 1.970 2.418 ( 1.166 0.000 1.588) 1.970 2.832 ( -9.927 0.000 0.931) 9.970 2.832 ( 9.927 0.000 0.931) 9.970 3.096 ( -5.351 0.000 -7.548) 9.253 3.096 ( 5.351 0.000 -7.548) 9.253 3.107 ( -8.808 0.000 -11.925) 14.825 3.107 ( 8.808 0.000 -11.925) 14.825 3.347 ( -4.058 0.000 2.784) 4.922 3.347 ( 4.058 0.000 2.784) 4.922 4.111 ( -22.400 0.000 0.819) 22.415 4.111 ( 22.400 0.000 0.819) 22.415 4.328 ( -2.052 0.000 8.157) 8.411 4.328 ( 2.052 0.000 8.157) 8.411 4.423 ( -2.442 0.000 -5.268) 5.807 4.423 ( 2.442 0.000 -5.268) 5.807 4.724 ( -6.616 0.000 -3.146) 7.326 4.724 ( 6.616 0.000 -3.146) 7.326 5.119 ( -4.714 0.000 -3.848) 6.085 5.119 ( 4.714 0.000 -3.848) 6.085 5.443 ( -4.455 0.000 2.829) 5.278 5.443 ( 4.455 0.000 2.829) 5.278 6.349 ( -6.057 0.000 5.054) 7.889 6.349 ( 6.057 0.000 5.054) 7.889 7.094 ( -6.514 0.000 10.327) 12.209 7.094 ( 6.514 0.000 10.327) 12.209 7.577 ( -6.551 0.000 -1.100) 6.643 7.577 ( 6.551 0.000 -1.100) 6.643 7.952 ( -6.042 0.000 -5.672) 8.287 7.952 ( 6.042 0.000 -5.672) 8.287 9.209 ( -4.936 0.000 13.205) 14.097 9.209 ( 4.936 0.000 13.205) 14.097 9.553 ( -6.385 0.000 -7.263) 9.670 9.553 ( 6.385 0.000 -7.263) 9.670 9.800 ( -11.320 0.000 -0.956) 11.360 9.800 ( 11.320 0.000 -0.956) 11.360 10.019 ( -2.217 0.000 -5.064) 5.528 10.019 ( 2.217 0.000 -5.064) 5.528 11.252 ( -21.302 0.000 -22.778) 31.187 11.252 ( 21.302 0.000 -22.778) 31.187 11.425 ( -3.334 0.000 16.270) 16.608 11.425 ( 3.334 0.000 16.270) 16.608 11.917 ( -0.850 0.000 -1.580) 1.794 11.917 ( 0.850 0.000 -1.580) 1.794 14.410 ( -18.338 0.000 11.602) 21.700 14.410 ( 18.338 0.000 11.602) 21.700 14.747 ( -23.917 0.000 16.231) 28.904 14.747 ( 23.917 0.000 16.231) 28.904 15.006 ( -3.564 0.000 2.793) 4.528 15.006 ( 3.564 0.000 2.793) 4.528 16.699 ( -6.476 0.000 -9.420) 11.431 16.699 ( 6.476 0.000 -9.420) 11.431 16.940 ( -3.854 0.000 -3.458) 5.178 16.940 ( 3.854 0.000 -3.458) 5.178 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 0.457 15.432) 15.439 1.532 ( 0.000 9.099 19.494) 21.513 2.042 ( 0.000 -2.123 -10.956) 11.159 2.082 ( 0.000 -14.821 -4.958) 15.628 2.312 ( 0.000 1.242 -3.588) 3.797 2.453 ( 0.000 -4.661 -3.027) 5.557 2.459 ( 0.000 2.262 -5.509) 5.955 2.633 ( 0.000 -0.711 3.080) 3.161 2.662 ( 0.000 -1.608 11.478) 11.590 2.760 ( 0.000 0.016 -11.915) 11.915 2.943 ( 0.000 -4.862 2.024) 5.267 3.010 ( 0.000 13.947 -2.571) 14.182 3.395 ( 0.000 3.649 4.647) 5.909 3.486 ( 0.000 4.774 1.961) 5.161 3.769 ( 0.000 3.540 12.420) 12.915 3.799 ( 0.000 6.711 4.647) 8.163 4.047 ( 0.000 -14.585 -4.141) 15.162 4.193 ( 0.000 -2.554 2.764) 3.763 4.475 ( 0.000 -4.396 -3.393) 5.553 4.477 ( 0.000 -2.622 8.076) 8.490 4.608 ( 0.000 -6.701 0.962) 6.769 4.660 ( 0.000 5.477 -8.532) 10.138 4.969 ( 0.000 8.641 -4.704) 9.838 4.973 ( 0.000 14.000 -4.766) 14.789 5.147 ( 0.000 -3.627 -17.237) 17.614 5.369 ( 0.000 -3.734 3.739) 5.285 5.426 ( 0.000 1.735 -9.858) 10.010 5.505 ( 0.000 -13.346 0.049) 13.346 5.790 ( 0.000 6.007 4.197) 7.328 6.094 ( 0.000 1.665 0.334) 1.699 6.157 ( 0.000 -4.547 -1.331) 4.738 6.272 ( 0.000 2.185 -6.213) 6.586 7.370 ( 0.000 2.287 8.321) 8.629 7.673 ( 0.000 -1.430 10.984) 11.076 8.090 ( 0.000 2.106 -1.706) 2.711 8.542 ( 0.000 -3.669 -3.900) 5.354 8.893 ( 0.000 4.477 5.585) 7.158 9.086 ( 0.000 -0.722 2.439) 2.544 9.162 ( 0.000 5.256 -3.626) 6.385 9.417 ( 0.000 0.150 9.505) 9.506 9.602 ( 0.000 1.091 -10.566) 10.622 9.966 ( 0.000 -2.737 -3.751) 4.643 10.119 ( 0.000 0.651 -6.534) 6.566 10.316 ( 0.000 -0.441 -12.171) 12.179 11.252 ( 0.000 1.576 17.608) 17.679 11.712 ( 0.000 18.573 21.767) 28.614 11.811 ( 0.000 -3.388 -1.255) 3.613 11.853 ( 0.000 -6.125 11.635) 13.149 11.913 ( 0.000 -5.499 6.694) 8.664 12.110 ( 0.000 5.157 32.771) 33.174 12.592 ( 0.000 -2.040 30.164) 30.233 13.494 ( 0.000 7.817 -34.884) 35.750 14.032 ( 0.000 1.140 -23.320) 23.348 14.196 ( 0.000 -0.993 -20.487) 20.511 14.598 ( 0.000 -27.052 2.643) 27.181 14.818 ( 0.000 -15.429 -4.895) 16.187 16.925 ( 0.000 -0.533 5.122) 5.150 17.014 ( 0.000 -1.772 0.245) 1.788 17.201 ( 0.000 11.625 4.242) 12.375 17.323 ( 0.000 9.186 0.340) 9.193 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 7.195 -0.448 13.272) 15.103 1.525 ( 0.642 8.058 18.123) 19.844 2.050 ( 0.639 -3.367 -14.313) 14.717 2.092 ( 0.790 -14.029 -1.450) 14.126 2.263 ( -5.383 0.947 -9.424) 10.895 2.374 ( -1.534 -8.877 -1.599) 9.149 2.590 ( -3.301 -3.592 5.854) 7.620 2.610 ( 5.590 4.580 0.398) 7.238 2.735 ( 2.099 -10.332 -11.250) 15.418 2.788 ( 6.564 4.631 2.631) 8.453 2.901 ( -1.089 0.425 2.169) 2.464 3.075 ( 1.463 11.882 -0.991) 12.013 3.308 ( -4.688 11.067 6.863) 13.840 3.389 ( -7.078 4.563 1.938) 8.641 3.633 ( -8.903 -1.817 8.903) 12.721 3.833 ( -2.316 -2.158 -4.393) 5.415 3.938 ( -6.115 -5.853 1.156) 8.543 4.205 ( -3.313 -0.147 2.602) 4.215 4.381 ( -3.453 -0.919 5.599) 6.642 4.476 ( -3.203 -2.252 -5.067) 6.403 4.545 ( -6.523 0.117 -0.246) 6.529 4.735 ( 7.649 -4.232 -1.876) 8.940 4.885 ( -3.855 10.322 -2.829) 11.376 4.977 ( -1.453 3.304 -2.939) 4.655 5.148 ( 0.519 1.208 -17.748) 17.797 5.245 ( -6.727 0.337 -3.389) 7.540 5.462 ( -2.983 -9.095 2.421) 9.873 5.585 ( 8.564 0.689 -0.941) 8.643 5.823 ( 1.368 5.049 3.385) 6.231 6.213 ( 9.032 -0.093 -1.369) 9.136 6.258 ( 8.827 -0.754 -0.121) 8.860 6.423 ( 14.580 -0.302 -3.514) 15.000 7.406 ( 2.823 1.730 6.728) 7.499 7.709 ( 3.078 -2.676 8.024) 9.001 8.044 ( -4.270 1.934 -1.922) 5.067 8.465 ( -6.896 -3.480 -3.560) 8.505 8.930 ( 3.386 4.427 6.352) 8.450 9.118 ( 3.077 -1.060 2.189) 3.922 9.206 ( 3.990 4.560 -3.241) 6.871 9.424 ( 0.685 0.693 9.651) 9.700 9.613 ( 1.095 0.667 -11.150) 11.223 9.984 ( 1.278 -3.188 -4.325) 5.523 10.098 ( -1.961 0.382 -5.122) 5.498 10.294 ( -2.041 0.166 -11.647) 11.826 11.263 ( -0.366 2.318 17.730) 17.884 11.398 ( -14.635 16.922 19.128) 29.435 11.756 ( -5.795 -2.088 7.317) 9.565 11.853 ( -1.287 -5.701 2.523) 6.365 11.905 ( -0.193 -3.131 2.899) 4.271 12.544 ( 29.988 4.574 33.967) 45.541 12.795 ( 17.769 -2.879 28.547) 33.748 13.115 ( -24.691 8.996 -30.449) 40.221 14.306 ( 15.001 -3.598 -20.393) 25.571 14.400 ( 16.934 -3.954 -19.268) 25.955 14.611 ( 1.512 -25.880 1.650) 25.977 14.841 ( 2.749 -12.455 -6.064) 14.123 16.909 ( -1.475 -0.192 4.114) 4.375 16.953 ( -5.477 0.412 0.928) 5.570 17.182 ( -1.922 11.514 3.126) 12.085 17.281 ( -3.486 8.888 0.221) 9.550 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 10.111 -1.445 8.940) 13.574 1.598 ( 6.388 6.216 12.469) 15.327 2.050 ( -1.154 -4.730 -13.141) 14.014 2.103 ( -0.435 -15.632 -1.954) 15.759 2.153 ( -4.699 0.570 -6.704) 8.206 2.322 ( -3.152 -9.364 -1.126) 9.944 2.501 ( -4.175 -5.497 10.313) 12.410 2.589 ( -5.126 -4.856 -7.926) 10.615 2.765 ( -0.226 -12.741 -4.212) 13.421 2.877 ( -3.793 2.669 -4.761) 6.647 2.945 ( 6.199 8.210 -3.251) 10.789 3.044 ( -2.651 9.877 1.297) 10.309 3.227 ( -5.102 5.488 -2.214) 7.814 3.371 ( 7.027 7.654 11.169) 15.255 3.480 ( -4.923 -1.546 5.879) 7.822 3.631 ( -10.874 -6.564 -6.036) 14.063 3.853 ( -10.111 7.125 -11.445) 16.851 4.090 ( -0.041 -3.058 7.034) 7.670 4.306 ( -6.960 -4.184 0.712) 8.152 4.376 ( -0.589 0.464 2.227) 2.350 4.526 ( 1.777 3.177 2.426) 4.375 4.807 ( -0.385 8.064 -2.207) 8.369 4.863 ( -0.389 -2.535 -6.908) 7.369 4.960 ( -2.943 3.180 0.145) 4.336 5.079 ( -1.572 3.545 -8.764) 9.584 5.205 ( 1.051 1.894 -0.887) 2.341 5.390 ( -4.204 -3.121 1.907) 5.572 5.603 ( -5.259 -3.783 -4.772) 8.046 5.976 ( 12.277 8.090 9.631) 17.577 6.358 ( 5.416 0.456 -2.921) 6.170 6.529 ( 15.165 -0.806 5.519) 16.158 6.768 ( 16.249 -1.865 -0.052) 16.355 7.464 ( 2.395 0.893 4.491) 5.168 7.773 ( 2.567 -4.314 1.633) 5.279 7.921 ( -7.311 1.652 -2.359) 7.858 8.285 ( -9.744 -3.201 -3.448) 10.821 9.024 ( 5.384 4.190 8.417) 10.835 9.215 ( 6.172 -1.956 0.683) 6.511 9.299 ( 3.686 2.605 0.225) 4.519 9.453 ( 2.796 1.498 6.980) 7.667 9.643 ( 1.473 0.058 -11.568) 11.661 9.999 ( -0.028 -3.229 -4.631) 5.646 10.038 ( -3.905 -0.929 -2.463) 4.709 10.237 ( -3.407 1.782 -9.708) 10.442 11.116 ( -6.267 17.785 10.645) 21.654 11.343 ( 2.612 5.420 12.358) 13.745 11.617 ( -6.465 0.025 14.410) 15.794 11.844 ( 0.240 -4.914 -1.141) 5.051 11.899 ( -0.484 -3.542 0.680) 3.639 12.503 ( -27.771 11.497 -30.674) 42.945 13.212 ( 32.648 -1.697 30.180) 44.493 13.380 ( 31.801 -1.370 29.108) 43.133 14.509 ( 3.805 -17.324 -10.639) 20.683 14.618 ( 3.186 -23.029 2.020) 23.336 14.764 ( 11.358 -7.681 -10.906) 17.520 14.952 ( 6.996 -4.031 -8.563) 11.769 16.820 ( -5.660 5.940 0.019) 8.205 16.881 ( -1.088 0.864 1.214) 1.845 17.119 ( -4.144 11.429 0.427) 12.165 17.197 ( -4.532 7.420 -1.155) 8.771 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 7.094 1.441 5.381) 9.020 1.768 ( 8.806 0.806 3.787) 9.620 1.981 ( -5.776 0.495 -5.751) 8.166 2.032 ( -5.132 -2.052 -5.656) 7.908 2.110 ( 0.555 -15.692 -0.376) 15.707 2.244 ( -4.316 -11.147 -1.593) 12.059 2.475 ( -2.228 -3.036 0.671) 3.825 2.523 ( 5.094 -10.273 1.991) 11.639 2.705 ( -9.396 6.413 2.192) 11.585 2.796 ( 2.360 -11.891 -4.210) 12.833 2.942 ( -5.837 -1.944 -2.723) 6.728 3.053 ( 2.306 3.207 -7.133) 8.153 3.163 ( -1.031 2.223 -6.430) 6.881 3.313 ( -6.042 -1.197 -5.215) 8.071 3.403 ( -6.829 -3.316 -6.014) 9.685 3.527 ( -11.450 4.212 -5.216) 13.268 3.757 ( 13.438 9.080 4.376) 16.798 4.187 ( 6.118 -3.783 2.824) 7.728 4.209 ( -3.109 -6.461 -0.237) 7.173 4.366 ( -0.722 3.180 2.274) 3.975 4.540 ( -0.965 6.644 3.051) 7.375 4.700 ( -11.471 8.072 -2.692) 14.282 4.846 ( 4.000 11.967 -0.639) 12.634 4.938 ( 1.991 3.465 -2.271) 4.596 5.086 ( -1.402 4.872 -4.341) 6.674 5.250 ( -1.488 3.597 -3.101) 4.977 5.285 ( -0.895 -6.718 6.568) 9.438 5.486 ( -5.157 -4.484 -0.646) 6.864 6.223 ( 10.460 6.227 7.663) 14.385 6.429 ( 0.972 2.091 0.830) 2.451 6.838 ( 13.747 -2.304 8.274) 16.209 7.038 ( 8.373 -2.895 6.097) 10.754 7.504 ( 1.973 0.712 1.922) 2.844 7.754 ( -8.389 1.473 -2.219) 8.802 7.822 ( 2.852 -4.192 -4.316) 6.658 8.083 ( -9.318 -3.066 -4.581) 10.826 9.139 ( 5.457 3.611 10.402) 12.289 9.311 ( -1.681 1.909 7.872) 8.272 9.368 ( 7.669 -2.848 -2.927) 8.689 9.554 ( 5.115 -0.950 -1.555) 5.430 9.658 ( 0.410 0.343 -7.555) 7.574 9.928 ( -6.774 -2.396 -0.399) 7.196 10.003 ( 1.288 -0.608 -4.101) 4.341 10.155 ( -4.355 3.322 -7.032) 8.914 11.120 ( 6.696 17.224 -3.162) 18.749 11.409 ( 3.591 6.033 9.931) 12.162 11.501 ( -4.922 1.138 14.680) 15.525 11.856 ( -0.896 -3.438 -2.442) 4.311 11.864 ( -5.434 -1.023 -6.894) 8.838 11.975 ( -17.904 12.588 -18.499) 28.657 13.858 ( 27.998 -7.112 20.792) 35.592 14.060 ( 31.605 -5.311 23.807) 39.924 14.498 ( -3.960 -20.965 -3.224) 21.578 14.694 ( 4.742 -19.326 4.004) 20.298 14.865 ( -2.507 -9.389 1.511) 9.835 15.012 ( -3.568 -2.873 0.670) 4.629 16.767 ( 1.224 10.725 -4.780) 11.806 16.884 ( 1.424 3.697 -3.582) 5.341 17.014 ( -5.545 10.452 -2.570) 12.107 17.094 ( -5.369 5.809 -3.067) 8.484 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -5.797 -1.177 -0.088) 5.916 1.848 ( 5.797 -1.177 -0.088) 5.916 1.924 ( -5.636 1.616 -2.736) 6.470 1.924 ( 5.636 1.616 -2.736) 6.470 2.157 ( -3.719 -13.802 0.095) 14.295 2.157 ( 3.719 -13.802 0.095) 14.295 2.510 ( -6.308 0.555 2.658) 6.868 2.510 ( 6.308 0.555 2.658) 6.868 2.714 ( -9.703 -8.866 1.389) 13.217 2.714 ( 9.703 -8.866 1.389) 13.217 2.980 ( -7.843 -5.048 -7.857) 12.195 2.980 ( 7.843 -5.048 -7.857) 12.195 3.206 ( -4.324 2.109 -12.445) 13.343 3.206 ( 4.324 2.109 -12.445) 13.343 3.352 ( -3.437 1.297 -2.170) 4.267 3.352 ( 3.437 1.297 -2.170) 4.267 4.054 ( -11.997 -3.588 -1.459) 12.607 4.054 ( 11.997 -3.588 -1.459) 12.607 4.321 ( -4.597 2.294 1.668) 5.401 4.321 ( 4.597 2.294 1.668) 5.401 4.533 ( -2.818 10.891 4.898) 12.270 4.533 ( 2.818 10.891 4.898) 12.270 4.942 ( -3.763 12.700 -2.871) 13.553 4.942 ( 3.763 12.700 -2.871) 13.553 5.108 ( -5.972 -0.522 -1.258) 6.126 5.108 ( 5.972 -0.522 -1.258) 6.126 5.383 ( -5.175 -4.796 2.663) 7.542 5.383 ( 5.175 -4.796 2.663) 7.542 6.387 ( -5.038 4.100 4.639) 7.982 6.387 ( 5.038 4.100 4.639) 7.982 7.060 ( -6.241 -3.489 10.227) 12.478 7.060 ( 6.241 -3.489 10.227) 12.478 7.590 ( -6.732 1.392 -1.592) 7.056 7.590 ( 6.732 1.392 -1.592) 7.056 7.916 ( -6.398 -3.412 -5.979) 9.398 7.916 ( 6.398 -3.412 -5.979) 9.398 9.243 ( -4.359 2.716 10.410) 11.608 9.243 ( 4.359 2.716 10.410) 11.608 9.522 ( -6.284 -3.142 -6.797) 9.776 9.522 ( 6.284 -3.142 -6.797) 9.776 9.767 ( -8.166 -0.893 0.378) 8.224 9.767 ( 8.166 -0.893 0.378) 8.224 10.064 ( -4.153 2.475 -5.174) 7.081 10.064 ( 4.153 2.475 -5.174) 7.081 11.340 ( -11.128 6.133 0.337) 12.711 11.340 ( 11.128 6.133 0.337) 12.711 11.544 ( -10.597 14.043 -5.177) 18.338 11.544 ( 10.597 14.043 -5.177) 18.338 11.882 ( -1.322 -3.170 -0.984) 3.573 11.882 ( 1.322 -3.170 -0.984) 3.573 14.307 ( -14.140 -16.668 6.497) 22.803 14.307 ( 14.140 -16.668 6.497) 22.803 14.633 ( -19.786 -9.165 14.124) 25.980 14.633 ( 19.786 -9.165 14.124) 25.980 14.841 ( -9.244 -8.305 7.263) 14.393 14.841 ( 9.244 -8.305 7.263) 14.393 16.852 ( -5.571 11.968 -7.486) 15.176 16.852 ( 5.571 11.968 -7.486) 15.176 16.987 ( -4.167 4.222 -3.386) 6.831 16.987 ( 4.167 4.222 -3.386) 6.831 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 6.151 6.242) 8.763 1.764 ( 0.000 -4.166 1.184) 4.331 1.785 ( 0.000 3.842 6.406) 7.470 2.019 ( 0.000 0.095 -8.970) 8.970 2.157 ( 0.000 -9.993 -1.608) 10.121 2.422 ( 0.000 -2.411 -3.741) 4.451 2.436 ( 0.000 -7.110 -2.045) 7.399 2.523 ( 0.000 -7.515 -12.857) 14.892 2.745 ( 0.000 8.201 -1.968) 8.433 2.843 ( 0.000 1.262 -0.999) 1.610 2.898 ( 0.000 6.455 5.169) 8.269 3.193 ( 0.000 0.639 -4.880) 4.921 3.446 ( 0.000 6.933 9.402) 11.682 3.698 ( 0.000 12.909 1.389) 12.984 3.761 ( 0.000 -5.224 -2.894) 5.972 3.943 ( 0.000 10.820 12.480) 16.517 3.987 ( 0.000 4.381 8.212) 9.307 4.123 ( 0.000 -5.055 1.792) 5.364 4.343 ( 0.000 -8.784 -1.953) 8.999 4.410 ( 0.000 -10.532 12.028) 15.987 4.447 ( 0.000 -0.569 1.193) 1.322 4.653 ( 0.000 -4.509 -8.675) 9.777 5.014 ( 0.000 -3.955 -3.627) 5.366 5.122 ( 0.000 1.979 -8.108) 8.346 5.190 ( 0.000 2.804 -16.930) 17.161 5.232 ( 0.000 -9.858 -1.623) 9.991 5.438 ( 0.000 10.259 -2.363) 10.528 5.527 ( 0.000 7.271 -6.404) 9.689 5.860 ( 0.000 0.835 5.165) 5.232 6.022 ( 0.000 -8.388 1.732) 8.565 6.155 ( 0.000 4.271 -1.173) 4.429 6.288 ( 0.000 -0.895 -5.151) 5.229 7.436 ( 0.000 4.175 10.214) 11.034 7.620 ( 0.000 -3.836 13.634) 14.163 8.168 ( 0.000 5.671 -4.797) 7.428 8.440 ( 0.000 -6.306 -4.332) 7.650 8.988 ( 0.000 4.145 4.446) 6.079 9.069 ( 0.000 -0.955 2.789) 2.948 9.276 ( 0.000 5.543 -5.552) 7.846 9.414 ( 0.000 -0.850 -0.454) 0.963 9.648 ( 0.000 4.066 -1.462) 4.321 9.891 ( 0.000 -4.956 -0.774) 5.016 10.147 ( 0.000 2.285 -6.317) 6.718 10.280 ( 0.000 -3.177 -9.068) 9.609 11.321 ( 0.000 5.726 13.253) 14.437 11.671 ( 0.000 -9.481 4.970) 10.705 11.769 ( 0.000 -2.547 8.015) 8.410 11.790 ( 0.000 -4.408 7.726) 8.895 12.202 ( 0.000 23.418 21.820) 32.008 12.221 ( 0.000 5.781 31.319) 31.848 12.580 ( 0.000 5.524 27.055) 27.613 13.700 ( 0.000 9.179 -25.442) 27.047 13.926 ( 0.000 -34.483 1.698) 34.525 14.060 ( 0.000 1.370 -22.967) 23.008 14.172 ( 0.000 -1.551 -20.502) 20.561 14.458 ( 0.000 -18.882 -12.762) 22.791 16.945 ( 0.000 1.945 4.296) 4.716 17.000 ( 0.000 -0.331 1.348) 1.388 17.407 ( 0.000 8.029 3.970) 8.957 17.469 ( 0.000 4.780 2.268) 5.291 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 3.963 3.671 4.999) 7.360 1.735 ( -1.504 6.426 8.508) 10.768 1.772 ( -0.602 -8.652 -4.956) 9.989 2.025 ( 0.636 -1.726 -7.106) 7.341 2.192 ( 1.263 -6.520 1.658) 6.845 2.301 ( -5.927 1.123 -6.588) 8.932 2.507 ( -0.710 -11.281 -0.556) 11.316 2.530 ( -1.309 -4.062 -8.503) 9.514 2.590 ( -7.098 -3.241 -2.502) 8.194 2.808 ( -4.714 -3.968 1.998) 6.477 3.001 ( 8.248 10.058 -3.743) 13.536 3.279 ( 4.127 2.710 -7.147) 8.687 3.462 ( 2.365 10.293 12.110) 16.069 3.569 ( -10.326 10.004 1.731) 14.481 3.686 ( -9.539 -2.562 1.584) 10.003 3.731 ( -8.142 7.304 6.374) 12.660 3.983 ( -1.663 2.752 5.019) 5.961 4.213 ( 0.956 1.410 1.145) 2.053 4.325 ( -2.075 -8.089 -2.739) 8.789 4.427 ( -1.439 1.339 1.584) 2.524 4.451 ( -1.482 -8.616 4.153) 9.679 4.626 ( 4.179 -5.777 -1.064) 7.209 4.930 ( -5.612 -3.266 -4.596) 7.955 5.032 ( -5.611 0.068 -2.533) 6.157 5.190 ( -0.079 1.282 -12.748) 12.812 5.254 ( 2.527 -4.641 -3.584) 6.385 5.391 ( -2.688 9.318 0.207) 9.700 5.627 ( 1.890 1.336 -7.621) 7.965 5.931 ( 8.680 5.783 6.056) 12.061 6.176 ( 10.861 -4.988 -0.264) 11.954 6.262 ( 9.579 2.884 0.562) 10.019 6.404 ( 11.335 -1.986 -3.515) 12.032 7.458 ( 1.720 3.384 8.411) 9.228 7.633 ( 1.189 -4.634 11.196) 12.175 8.116 ( -4.809 5.192 -4.671) 8.479 8.368 ( -6.461 -5.923 -4.040) 9.652 9.020 ( 2.998 3.816 4.800) 6.826 9.096 ( 2.570 -1.113 2.542) 3.782 9.303 ( 2.455 4.807 -5.094) 7.422 9.432 ( 1.709 -0.511 -0.325) 1.813 9.652 ( 0.383 3.944 -2.304) 4.584 9.901 ( 0.710 -5.202 -0.860) 5.320 10.127 ( -1.860 2.613 -4.946) 5.895 10.268 ( -1.166 -2.872 -8.671) 9.209 11.340 ( 1.488 5.869 12.647) 14.022 11.668 ( -0.458 -5.917 5.748) 8.262 11.734 ( -3.196 -1.965 10.862) 11.492 11.746 ( -3.284 2.302 5.644) 6.924 11.951 ( -7.758 17.324 13.751) 23.439 12.579 ( 18.169 -4.986 29.880) 35.324 12.828 ( 21.793 10.710 26.849) 36.201 13.360 ( -21.399 15.077 -26.002) 36.896 13.938 ( 2.827 -36.473 6.569) 37.168 14.077 ( -3.919 -17.197 -16.219) 23.962 14.420 ( 18.749 2.525 -20.237) 27.703 14.621 ( 12.638 -8.373 -15.492) 21.676 16.933 ( -0.967 2.011 3.370) 4.041 16.970 ( -2.537 0.765 1.028) 2.843 17.386 ( -2.062 7.887 3.137) 8.734 17.433 ( -3.233 5.332 1.873) 6.511 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 7.328 -1.716 3.338) 8.234 1.736 ( 0.589 -9.043 -3.747) 9.807 1.777 ( 2.044 3.912 3.318) 5.522 1.992 ( -4.929 -3.332 -4.771) 7.627 2.166 ( -2.323 -4.749 0.940) 5.369 2.226 ( -2.404 4.277 -5.686) 7.510 2.384 ( -4.313 -6.419 9.419) 12.187 2.452 ( -7.375 -8.125 -9.815) 14.722 2.516 ( -1.507 -8.703 -1.690) 8.993 2.737 ( -2.845 -11.471 -1.959) 11.980 3.124 ( 2.501 7.910 -7.009) 10.860 3.253 ( -8.315 4.909 -6.123) 11.434 3.317 ( -9.655 3.713 -1.175) 10.411 3.438 ( -11.030 -2.652 2.440) 11.604 3.526 ( -1.156 11.375 3.716) 12.022 3.701 ( 3.509 10.451 5.878) 12.493 3.946 ( -5.741 1.775 -8.766) 10.628 4.127 ( -3.154 1.504 -2.733) 4.436 4.196 ( -4.283 -2.090 1.926) 5.140 4.401 ( 2.494 -0.313 -1.073) 2.733 4.540 ( 5.022 -0.447 8.649) 10.011 4.754 ( 5.009 -6.629 -2.652) 8.722 4.846 ( -2.771 -3.025 -4.066) 5.776 4.984 ( 2.024 -2.811 3.260) 4.757 5.166 ( -2.117 5.781 -4.183) 7.443 5.307 ( 0.986 -4.196 -0.495) 4.339 5.325 ( -2.865 8.717 0.362) 9.183 5.564 ( -5.971 -1.355 -3.564) 7.085 6.182 ( 12.945 11.260 5.730) 18.088 6.376 ( 8.283 1.169 -0.519) 8.381 6.506 ( 12.883 -0.895 3.812) 13.465 6.701 ( 14.697 -5.202 0.252) 15.593 7.494 ( 1.608 2.212 4.877) 5.591 7.662 ( 1.594 -5.990 4.521) 7.672 7.981 ( -7.808 4.280 -4.549) 9.999 8.198 ( -9.387 -5.324 -4.044) 11.524 9.102 ( 4.612 2.923 5.441) 7.708 9.175 ( 4.972 -1.887 1.372) 5.492 9.358 ( 1.962 3.306 -2.826) 4.771 9.481 ( 2.817 -0.125 -1.584) 3.234 9.663 ( 0.724 3.496 -3.002) 4.665 9.915 ( 0.892 -4.946 -0.819) 5.092 10.069 ( -3.817 3.466 -1.962) 5.517 10.231 ( -2.408 -2.381 -7.182) 7.940 11.368 ( 1.138 7.597 12.341) 14.536 11.616 ( -4.030 4.555 8.354) 10.334 11.700 ( -0.721 6.372 2.068) 6.738 11.713 ( 1.925 1.031 7.496) 7.807 11.853 ( -2.663 8.576 4.340) 9.974 12.795 ( -15.527 12.404 -16.604) 25.897 13.061 ( 16.021 -9.883 14.125) 23.534 13.428 ( 27.822 5.862 26.259) 38.704 13.968 ( -3.044 -30.319 -8.194) 31.554 14.078 ( 8.242 -26.848 7.848) 29.160 14.741 ( 10.686 1.874 -11.625) 15.901 14.873 ( 9.408 -4.012 -10.931) 14.970 16.918 ( -0.629 3.206 -0.245) 3.277 16.924 ( -0.450 2.794 -0.062) 2.831 17.320 ( -4.303 7.624 0.882) 8.799 17.345 ( -5.158 5.942 0.340) 7.876 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 6.201 -7.047 2.927) 9.833 1.760 ( 2.249 -13.339 -2.990) 13.854 1.807 ( -1.140 1.780 3.600) 4.174 1.889 ( -3.864 -7.464 -2.296) 8.713 2.114 ( -2.646 -2.140 0.341) 3.420 2.126 ( -5.241 4.367 0.350) 6.831 2.363 ( 0.145 -5.923 1.021) 6.012 2.392 ( 2.910 -0.262 -0.276) 2.934 2.525 ( 1.815 -13.215 -0.975) 13.374 2.683 ( 0.899 -7.002 -1.456) 7.208 2.982 ( -14.415 4.745 -3.245) 15.519 3.088 ( -6.543 0.281 -6.431) 9.179 3.207 ( -2.466 1.931 -8.482) 9.042 3.293 ( -2.166 -1.065 -6.880) 7.291 3.394 ( -8.191 2.399 -9.811) 13.004 3.573 ( -15.759 -1.583 -11.786) 19.743 3.940 ( 8.524 10.739 3.336) 14.111 4.150 ( -1.240 4.067 0.473) 4.278 4.257 ( 9.375 4.835 3.170) 11.014 4.462 ( 2.007 2.840 -0.463) 3.508 4.613 ( 2.390 1.099 6.208) 6.742 4.772 ( -3.091 0.568 -2.694) 4.139 4.866 ( 5.201 -5.237 -4.209) 8.497 5.057 ( 1.915 -7.863 -0.313) 8.099 5.130 ( -0.083 10.484 5.322) 11.758 5.241 ( -3.431 3.520 5.142) 7.114 5.319 ( -0.879 0.961 0.655) 1.458 5.431 ( -6.016 -0.370 1.098) 6.127 6.412 ( 8.648 11.710 5.592) 15.594 6.508 ( 4.019 6.325 2.214) 7.814 6.765 ( 11.468 -4.862 7.134) 14.355 6.937 ( 6.733 -7.494 6.241) 11.850 7.532 ( 2.736 2.295 0.511) 3.607 7.711 ( 3.455 -5.945 -2.651) 7.370 7.808 ( -8.530 3.418 -4.671) 10.308 7.999 ( -9.352 -5.029 -5.143) 11.798 9.201 ( 4.701 2.174 5.201) 7.341 9.298 ( 6.580 -3.410 -1.185) 7.505 9.358 ( -1.865 2.570 1.090) 3.357 9.517 ( -0.882 -3.896 -6.585) 7.701 9.700 ( 3.849 5.698 1.253) 6.989 9.946 ( -1.272 0.989 0.336) 1.646 9.981 ( -0.977 0.274 -0.860) 1.330 10.165 ( -4.028 -2.277 -5.006) 6.817 11.401 ( 2.280 8.969 10.941) 14.330 11.535 ( -3.700 4.490 10.585) 12.079 11.711 ( 1.299 -0.326 -0.389) 1.394 11.766 ( 0.512 -3.771 1.616) 4.134 11.854 ( 5.228 23.679 -2.087) 24.339 12.396 ( -18.614 27.108 -20.378) 38.686 13.427 ( 14.673 -34.719 7.079) 38.351 13.787 ( -2.138 -34.196 -3.623) 34.454 14.106 ( 23.868 -0.920 19.265) 30.687 14.354 ( 17.379 -12.186 14.619) 25.773 14.818 ( -3.898 1.279 1.501) 4.368 14.941 ( -3.775 -3.920 0.900) 5.516 16.943 ( 3.771 6.061 -4.118) 8.241 16.964 ( 4.021 3.682 -2.968) 6.207 17.207 ( -6.473 7.357 -2.139) 10.030 17.223 ( -6.517 5.787 -2.101) 8.966 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -3.882 -7.119 4.878) 9.463 1.748 ( 3.882 -7.119 4.878) 9.463 1.815 ( -3.208 -10.970 -2.168) 11.633 1.815 ( 3.208 -10.970 -2.168) 11.633 2.076 ( -1.053 4.870 -0.084) 4.984 2.076 ( 1.053 4.870 -0.084) 4.984 2.399 ( -3.342 -9.981 6.391) 12.314 2.399 ( 3.342 -9.981 6.391) 12.314 2.656 ( -13.481 3.713 -5.120) 14.891 2.656 ( 13.481 3.713 -5.120) 14.891 2.887 ( -12.431 -4.812 -6.425) 14.797 2.887 ( 12.431 -4.812 -6.425) 14.797 3.225 ( -4.049 1.165 -11.813) 12.542 3.225 ( 4.049 1.165 -11.813) 12.542 3.345 ( -4.988 -2.953 -11.550) 12.922 3.345 ( 4.988 -2.953 -11.550) 12.923 4.090 ( -5.060 8.339 1.652) 9.893 4.090 ( 5.060 8.339 1.652) 9.893 4.426 ( -5.674 3.415 0.751) 6.665 4.426 ( 5.674 3.415 0.751) 6.665 4.684 ( -4.656 4.410 3.152) 7.146 4.684 ( 4.656 4.410 3.152) 7.146 4.996 ( -6.245 -6.152 -5.633) 10.421 4.996 ( 6.245 -6.152 -5.633) 10.421 5.176 ( -3.396 6.242 7.542) 10.362 5.176 ( 3.396 6.242 7.542) 10.362 5.334 ( -3.149 0.099 3.782) 4.922 5.334 ( 3.149 0.099 3.782) 4.922 6.528 ( -2.338 9.936 4.624) 11.206 6.528 ( 2.338 9.936 4.624) 11.206 6.949 ( -5.199 -7.732 9.314) 13.174 6.949 ( 5.199 -7.732 9.314) 13.174 7.635 ( -7.136 3.163 -3.087) 8.394 7.635 ( 7.136 3.163 -3.087) 8.394 7.825 ( -7.108 -5.381 -6.210) 10.865 7.825 ( 7.108 -5.381 -6.210) 10.865 9.292 ( -3.988 2.224 3.710) 5.883 9.292 ( 3.988 2.224 3.710) 5.883 9.435 ( -6.035 -4.961 -4.935) 9.240 9.435 ( 6.035 -4.961 -4.935) 9.240 9.822 ( -6.920 6.094 2.446) 9.540 9.822 ( 6.920 6.094 2.446) 9.540 10.066 ( -5.224 -2.625 -3.062) 6.600 10.066 ( 5.224 -2.625 -3.062) 6.600 11.461 ( -3.353 6.575 10.614) 12.928 11.461 ( 3.353 6.575 10.614) 12.928 11.743 ( -1.643 -4.952 0.368) 5.230 11.743 ( 1.643 -4.952 0.368) 5.230 12.060 ( -13.449 30.671 -12.772) 35.843 12.060 ( 13.449 30.671 -12.772) 35.843 13.659 ( -8.432 -41.513 -2.531) 42.436 13.659 ( 8.432 -41.513 -2.531) 42.436 14.579 ( -18.400 1.478 13.849) 23.077 14.579 ( 18.400 1.478 13.849) 23.077 14.724 ( -15.904 -4.864 11.768) 20.373 14.724 ( 15.904 -4.864 11.768) 20.373 17.061 ( -6.013 7.435 -5.078) 10.827 17.061 ( 6.013 7.435 -5.078) 10.827 17.083 ( -5.745 4.612 -3.530) 8.169 17.083 ( 5.745 4.612 -3.530) 8.169 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 -11.290 -2.303) 11.522 1.509 ( 0.000 11.290 -2.303) 11.522 1.995 ( 0.000 -6.477 0.754) 6.521 1.995 ( 0.000 6.477 0.754) 6.521 2.166 ( 0.000 -15.361 2.730) 15.602 2.166 ( 0.000 15.361 2.730) 15.602 2.420 ( 0.000 -2.441 -9.589) 9.895 2.420 ( 0.000 2.441 -9.589) 9.895 2.874 ( 0.000 -3.435 -3.644) 5.007 2.874 ( 0.000 3.435 -3.644) 5.007 3.046 ( 0.000 -10.783 -5.886) 12.285 3.046 ( 0.000 10.783 -5.886) 12.285 3.656 ( 0.000 -9.762 10.432) 14.287 3.656 ( 0.000 9.762 10.432) 14.287 3.946 ( 0.000 -11.582 1.642) 11.698 3.946 ( 0.000 11.582 1.642) 11.698 4.093 ( 0.000 -3.867 2.894) 4.830 4.093 ( 0.000 3.867 2.894) 4.830 4.207 ( 0.000 -4.881 11.619) 12.602 4.207 ( 0.000 4.881 11.619) 12.602 4.531 ( 0.000 -6.701 -3.107) 7.386 4.531 ( 0.000 6.701 -3.107) 7.386 5.014 ( 0.000 -4.581 -3.771) 5.933 5.014 ( 0.000 4.581 -3.771) 5.933 5.202 ( 0.000 -0.506 -14.915) 14.923 5.202 ( 0.000 0.506 -14.915) 14.923 5.611 ( 0.000 -2.587 -3.381) 4.257 5.611 ( 0.000 2.587 -3.381) 4.257 5.875 ( 0.000 -3.707 4.202) 5.603 5.875 ( 0.000 3.707 4.202) 5.603 6.240 ( 0.000 -3.663 -3.048) 4.766 6.240 ( 0.000 3.663 -3.048) 4.766 7.529 ( 0.000 -4.885 12.629) 13.541 7.529 ( 0.000 4.885 12.629) 13.541 8.302 ( 0.000 -7.245 -5.019) 8.814 8.302 ( 0.000 7.245 -5.019) 8.814 9.045 ( 0.000 -1.725 3.255) 3.684 9.045 ( 0.000 1.725 3.255) 3.684 9.369 ( 0.000 -3.613 -5.955) 6.965 9.369 ( 0.000 3.613 -5.955) 6.965 9.767 ( 0.000 -7.033 2.633) 7.510 9.767 ( 0.000 7.033 2.633) 7.510 10.207 ( 0.000 -3.605 -7.129) 7.989 10.207 ( 0.000 3.605 -7.129) 7.989 11.477 ( 0.000 -9.360 8.298) 12.509 11.477 ( 0.000 9.360 8.298) 12.509 11.743 ( 0.000 -0.258 8.147) 8.151 11.743 ( 0.000 0.258 8.147) 8.151 12.326 ( 0.000 -3.841 30.424) 30.665 12.326 ( 0.000 3.841 30.424) 30.665 13.102 ( 0.000 -38.434 12.751) 40.494 13.102 ( 0.000 38.434 12.751) 40.494 14.015 ( 0.000 -11.390 -24.375) 26.905 14.015 ( 0.000 11.390 -24.375) 26.905 14.166 ( 0.000 -4.305 -19.803) 20.265 14.166 ( 0.000 4.305 -19.803) 20.265 16.983 ( 0.000 -1.494 2.937) 3.295 16.983 ( 0.000 1.494 2.937) 3.295 17.503 ( 0.000 -1.504 3.521) 3.828 17.503 ( 0.000 1.504 3.521) 3.828 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.117 -9.955 -3.689) 10.617 1.509 ( 0.117 9.955 -3.689) 10.617 1.960 ( -1.552 -6.543 1.571) 6.906 1.960 ( -1.552 6.543 1.571) 6.906 2.200 ( 1.276 -8.727 5.103) 10.189 2.200 ( 1.276 8.727 5.103) 10.189 2.415 ( -1.907 -3.639 -13.195) 13.820 2.415 ( -1.907 3.639 -13.195) 13.820 2.674 ( -11.276 -7.580 -0.055) 13.587 2.674 ( -11.276 7.580 -0.055) 13.587 3.190 ( 6.624 -8.193 -8.970) 13.837 3.190 ( 6.624 8.193 -8.970) 13.837 3.666 ( -4.579 -4.218 8.196) 10.292 3.666 ( -4.579 4.218 8.196) 10.292 3.744 ( -6.374 -8.364 8.123) 13.288 3.744 ( -6.374 8.364 8.123) 13.288 4.104 ( -3.290 -11.316 -1.595) 11.892 4.104 ( -3.290 11.316 -1.595) 11.892 4.279 ( 2.207 -5.688 4.821) 7.776 4.279 ( 2.207 5.688 4.821) 7.776 4.516 ( 1.643 -5.497 0.049) 5.737 4.516 ( 1.643 5.497 0.049) 5.737 4.938 ( -5.214 -4.598 -3.553) 7.807 4.938 ( -5.214 4.598 -3.553) 7.807 5.217 ( 1.585 -1.063 -9.217) 9.413 5.217 ( 1.585 1.063 -9.217) 9.413 5.575 ( -3.085 -6.801 -2.468) 7.866 5.575 ( -3.085 6.801 -2.468) 7.866 6.055 ( 13.920 -6.487 2.683) 15.590 6.055 ( 13.920 6.487 2.683) 15.590 6.340 ( 9.009 -4.164 -2.041) 10.132 6.340 ( 9.009 4.164 -2.041) 10.132 7.538 ( 0.748 -4.583 10.539) 11.516 7.538 ( 0.748 4.583 10.539) 11.516 8.239 ( -5.711 -6.702 -4.752) 10.005 8.239 ( -5.711 6.702 -4.752) 10.005 9.072 ( 2.481 -1.573 3.211) 4.352 9.072 ( 2.481 1.573 3.211) 4.352 9.389 ( 1.813 -3.571 -5.967) 7.187 9.389 ( 1.813 3.571 -5.967) 7.187 9.773 ( 0.527 -7.205 2.424) 7.620 9.773 ( 0.527 7.205 2.424) 7.620 10.195 ( -1.189 -3.891 -6.211) 7.425 10.195 ( -1.189 3.891 -6.211) 7.425 11.494 ( 1.486 -9.033 7.297) 11.707 11.494 ( 1.486 9.033 7.297) 11.707 11.727 ( -1.422 -1.215 7.419) 7.651 11.727 ( -1.422 1.215 7.419) 7.651 12.359 ( 3.047 -16.753 24.313) 29.683 12.359 ( 3.047 16.753 24.313) 29.683 13.240 ( 12.896 -29.800 16.508) 36.427 13.240 ( 12.896 29.800 16.508) 36.427 13.706 ( -16.278 -18.584 -20.710) 32.237 13.706 ( -16.278 18.584 -20.710) 32.237 14.494 ( 17.713 -4.838 -19.246) 26.600 14.494 ( 17.713 4.838 -19.246) 26.600 16.968 ( -1.197 -1.081 2.179) 2.711 16.968 ( -1.197 1.081 2.179) 2.711 17.477 ( -2.473 -1.142 2.877) 3.962 17.477 ( -2.473 1.142 2.877) 3.962 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 2.019 -6.181 -3.532) 7.400 1.528 ( 2.019 6.181 -3.532) 7.400 1.927 ( -3.537 -4.854 -2.548) 6.524 1.927 ( -3.537 4.854 -2.548) 6.524 2.187 ( -1.915 -8.622 9.490) 12.964 2.187 ( -1.915 8.622 9.490) 12.964 2.321 ( -3.741 -5.296 -7.812) 10.153 2.321 ( -3.741 5.296 -7.812) 10.153 2.530 ( -3.593 -7.622 -2.574) 8.811 2.530 ( -3.593 7.622 -2.574) 8.811 3.240 ( -2.414 -3.901 -9.990) 10.993 3.240 ( -2.414 3.901 -9.990) 10.993 3.386 ( -12.953 -2.656 3.013) 13.562 3.386 ( -12.953 2.656 3.013) 13.562 3.775 ( -6.506 -8.859 0.366) 10.997 3.775 ( -6.506 8.859 0.366) 10.997 4.010 ( 2.252 -8.707 -0.317) 8.999 4.010 ( 2.252 8.707 -0.317) 8.999 4.297 ( 1.930 -7.022 0.542) 7.303 4.297 ( 1.930 7.022 0.542) 7.303 4.613 ( 5.296 -6.522 2.074) 8.654 4.613 ( 5.296 6.522 2.074) 8.654 4.872 ( -0.748 -5.866 -1.197) 6.034 4.872 ( -0.748 5.866 -1.197) 6.034 5.249 ( 1.062 -2.771 -2.348) 3.784 5.249 ( 1.062 2.771 -2.348) 3.784 5.490 ( -4.850 -6.468 0.455) 8.097 5.490 ( -4.850 6.468 0.455) 8.097 6.352 ( 13.591 -4.754 3.419) 14.799 6.352 ( 13.591 4.754 3.419) 14.799 6.566 ( 11.251 -7.075 0.628) 13.306 6.566 ( 11.251 7.075 0.628) 13.306 7.557 ( 1.148 -4.260 5.046) 6.702 7.557 ( 1.148 4.260 5.046) 6.702 8.084 ( -8.723 -5.745 -4.626) 11.423 8.084 ( -8.723 5.745 -4.626) 11.423 9.142 ( 4.177 -1.501 2.691) 5.191 9.142 ( 4.177 1.501 2.691) 5.191 9.431 ( 1.587 -3.785 -5.789) 7.096 9.431 ( 1.587 3.785 -5.789) 7.096 9.789 ( 1.355 -7.459 2.325) 7.929 9.789 ( 1.355 7.459 2.325) 7.929 10.156 ( -2.709 -4.628 -3.843) 6.597 10.156 ( -2.709 4.628 -3.843) 6.597 11.530 ( 1.863 -8.728 6.017) 10.764 11.530 ( 1.863 8.728 6.017) 10.764 11.689 ( -2.088 -4.048 6.562) 7.987 11.689 ( -2.088 4.048 6.562) 7.987 12.448 ( 5.592 -32.843 11.199) 35.147 12.448 ( 5.592 32.843 11.199) 35.147 13.344 ( -12.970 -24.209 -15.260) 31.419 13.344 ( -12.970 24.209 -15.260) 31.419 13.669 ( 21.680 -12.218 19.590) 31.671 13.669 ( 21.680 12.218 19.590) 31.671 14.797 ( 10.072 -3.466 -11.326) 15.548 14.797 ( 10.072 3.466 -11.326) 15.548 16.953 ( 0.384 -0.282 -0.331) 0.580 16.953 ( 0.384 0.282 -0.331) 0.580 17.402 ( -4.691 -0.504 1.010) 4.825 17.402 ( -4.691 0.504 1.010) 4.825 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 3.211 -2.930 -0.184) 4.351 1.586 ( 3.211 2.930 -0.184) 4.351 1.804 ( -6.625 -0.243 -3.063) 7.303 1.804 ( -6.625 0.243 -3.063) 7.303 2.161 ( -0.124 -4.681 9.651) 10.727 2.161 ( -0.124 4.681 9.651) 10.727 2.300 ( -1.950 -5.665 -1.120) 6.095 2.300 ( -1.950 5.665 -1.120) 6.095 2.520 ( 5.821 -8.249 -5.366) 11.433 2.520 ( 5.821 8.249 -5.366) 11.433 3.064 ( -11.712 -2.787 -3.872) 12.646 3.064 ( -11.712 2.787 -3.872) 12.646 3.252 ( -2.369 -2.615 -10.220) 10.812 3.252 ( -2.369 2.615 -10.220) 10.812 3.483 ( -15.082 -5.722 -10.932) 19.487 3.483 ( -15.082 5.722 -10.932) 19.487 4.178 ( 8.924 -9.928 2.958) 13.673 4.178 ( 8.924 9.928 2.958) 13.673 4.347 ( 1.505 -10.062 2.316) 10.435 4.347 ( 1.505 10.062 2.316) 10.435 4.715 ( 5.150 -7.478 -1.566) 9.214 4.715 ( 5.150 7.478 -1.566) 9.214 4.876 ( -0.212 -8.742 -1.023) 8.804 4.876 ( -0.212 8.742 -1.023) 8.804 5.261 ( 0.601 -3.158 3.943) 5.088 5.261 ( 0.601 3.158 3.943) 5.088 5.384 ( -5.022 -4.992 4.370) 8.321 5.384 ( -5.022 4.992 4.370) 8.321 6.601 ( 10.090 -5.332 5.484) 12.662 6.601 ( 10.090 5.332 5.484) 12.662 6.746 ( 4.966 -9.568 4.903) 11.842 6.746 ( 4.966 9.568 4.903) 11.842 7.601 ( 3.590 -4.627 -1.613) 6.075 7.601 ( 3.590 4.627 -1.613) 6.075 7.895 ( -9.188 -5.092 -5.115) 11.684 7.895 ( -9.188 5.092 -5.115) 11.684 9.240 ( 5.128 -2.227 1.023) 5.684 9.240 ( 5.128 2.227 1.023) 5.684 9.427 ( -2.291 -4.317 -4.265) 6.487 9.427 ( -2.291 4.317 -4.265) 6.487 9.849 ( 4.567 -7.552 1.904) 9.028 9.849 ( 4.567 7.552 1.904) 9.028 10.079 ( -4.725 -5.754 -1.139) 7.532 10.079 ( -4.725 5.754 -1.139) 7.532 11.568 ( 1.792 -8.324 5.656) 10.222 11.568 ( 1.792 8.324 5.656) 10.222 11.646 ( -2.049 -6.358 6.147) 9.078 11.646 ( -2.049 6.358 6.147) 9.078 12.596 ( 8.694 -39.441 -0.518) 40.392 12.596 ( 8.694 39.441 -0.518) 40.392 13.062 ( -13.179 -33.161 -13.634) 38.200 13.062 ( -13.179 33.161 -13.634) 38.200 14.181 ( 24.958 -6.196 20.486) 32.878 14.181 ( 24.958 6.196 20.486) 32.878 14.867 ( -3.948 -3.289 1.196) 5.275 14.867 ( -3.948 3.289 1.196) 5.275 17.004 ( 4.675 -0.237 -3.455) 5.818 17.004 ( 4.675 0.237 -3.455) 5.818 17.284 ( -6.668 -0.231 -1.675) 6.879 17.284 ( -6.668 0.231 -1.675) 6.879 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -5.528 -1.657 1.243) 5.903 1.674 ( -4.851 0.994 1.243) 5.105 1.674 ( 4.851 -0.994 1.243) 5.105 1.674 ( 5.528 1.657 1.243) 5.903 2.210 ( -2.668 -8.022 4.333) 9.500 2.210 ( 0.463 -7.914 4.333) 9.035 2.210 ( -0.463 7.914 4.333) 9.035 2.210 ( 2.668 8.022 4.333) 9.500 2.773 ( -15.461 -6.463 -6.707) 18.050 2.773 ( -11.297 3.731 -6.707) 13.658 2.773 ( 11.297 -3.731 -6.707) 13.658 2.773 ( 15.461 6.463 -6.707) 18.050 3.271 ( -4.950 -3.407 -12.292) 13.682 3.271 ( 3.346 -2.877 -12.292) 13.060 3.271 ( -3.346 2.877 -12.292) 13.060 3.271 ( 4.950 3.407 -12.292) 13.682 4.320 ( -3.865 -11.821 2.440) 12.674 4.320 ( 3.466 -11.790 2.440) 12.529 4.320 ( -3.466 11.790 2.440) 12.529 4.320 ( 3.865 11.821 2.440) 12.674 4.825 ( -4.503 -9.330 -2.616) 10.685 4.825 ( 4.295 -9.306 -2.616) 10.578 4.825 ( -4.295 9.306 -2.616) 10.578 4.825 ( 4.503 9.330 -2.616) 10.685 5.297 ( -2.433 -4.511 6.790) 8.507 5.297 ( 1.137 -4.381 6.790) 8.160 5.297 ( -1.137 4.381 6.790) 8.160 5.297 ( 2.433 4.511 6.790) 8.507 6.753 ( -3.273 -11.389 6.844) 13.685 6.753 ( 2.603 -11.346 6.844) 13.504 6.753 ( -2.603 11.346 6.844) 13.504 6.753 ( 3.273 11.389 6.844) 13.685 7.717 ( -7.459 -4.986 -5.106) 10.323 7.717 ( 6.524 -4.647 -5.106) 9.499 7.717 ( -6.524 4.647 -5.106) 9.499 7.717 ( 7.459 4.986 -5.106) 10.323 9.347 ( -4.892 -3.572 -1.579) 6.260 9.347 ( 4.705 -3.509 -1.579) 6.078 9.347 ( -4.705 3.509 -1.579) 6.078 9.347 ( 4.892 3.572 -1.579) 6.260 9.964 ( -5.965 -7.003 0.787) 9.233 9.964 ( 5.762 -6.960 0.787) 9.070 9.964 ( -5.762 6.960 0.787) 9.070 9.964 ( 5.965 7.003 0.787) 9.233 11.605 ( -1.846 -7.567 5.814) 9.720 11.605 ( 1.845 -7.567 5.814) 9.720 11.605 ( -1.845 7.567 5.814) 9.720 11.605 ( 1.846 7.567 5.814) 9.720 12.806 ( -10.647 -41.747 -8.457) 43.906 12.806 ( 10.133 -41.715 -8.457) 43.754 12.806 ( -10.133 41.715 -8.457) 43.754 12.806 ( 10.647 41.747 -8.457) 43.906 14.636 ( -17.578 -3.826 12.977) 22.182 14.636 ( -17.541 3.783 12.977) 22.145 14.636 ( 17.541 -3.783 12.977) 22.145 14.636 ( 17.578 3.826 12.977) 22.182 17.135 ( -7.289 -0.255 -3.907) 8.274 17.135 ( -7.288 0.246 -3.907) 8.273 17.135 ( 7.288 -0.246 -3.907) 8.273 17.135 ( 7.289 0.255 -3.907) 8.274 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 0.000 16.580) 16.580 1.798 ( 0.000 0.000 16.814) 16.814 1.895 ( 0.000 0.000 -11.912) 11.912 2.073 ( 0.000 0.000 -12.440) 12.440 2.267 ( 0.000 0.000 3.631) 3.631 2.347 ( 0.000 0.000 4.330) 4.330 2.471 ( 0.000 0.000 -7.637) 7.637 2.474 ( 0.000 0.000 -16.383) 16.383 2.755 ( 0.000 0.000 0.217) 0.217 2.773 ( 0.000 0.000 -1.948) 1.948 2.836 ( 0.000 0.000 6.829) 6.829 2.945 ( 0.000 0.000 -1.979) 1.979 3.566 ( 0.000 0.000 11.812) 11.812 3.702 ( 0.000 0.000 25.947) 25.947 3.737 ( 0.000 0.000 -4.589) 4.589 4.041 ( 0.000 0.000 14.511) 14.511 4.099 ( 0.000 0.000 -12.814) 12.814 4.317 ( 0.000 0.000 7.580) 7.580 4.421 ( 0.000 0.000 -23.324) 23.324 4.465 ( 0.000 0.000 -6.271) 6.271 4.502 ( 0.000 0.000 1.914) 1.914 4.572 ( 0.000 0.000 -4.292) 4.292 4.685 ( 0.000 0.000 -0.479) 0.479 4.731 ( 0.000 0.000 -5.729) 5.729 4.998 ( 0.000 0.000 6.509) 6.509 5.203 ( 0.000 0.000 -12.128) 12.128 5.672 ( 0.000 0.000 0.275) 0.275 5.676 ( 0.000 0.000 -0.246) 0.246 5.770 ( 0.000 0.000 14.735) 14.735 6.015 ( 0.000 0.000 -11.176) 11.176 6.123 ( 0.000 0.000 3.228) 3.228 6.189 ( 0.000 0.000 -3.397) 3.397 7.503 ( 0.000 0.000 8.618) 8.618 7.661 ( 0.000 0.000 -7.207) 7.207 8.241 ( 0.000 0.000 12.906) 12.906 8.459 ( 0.000 0.000 -9.155) 9.155 8.945 ( 0.000 0.000 4.816) 4.816 9.027 ( 0.000 0.000 -3.919) 3.919 9.187 ( 0.000 0.000 6.335) 6.335 9.350 ( 0.000 0.000 -10.907) 10.907 9.704 ( 0.000 0.000 16.444) 16.444 9.961 ( 0.000 0.000 0.411) 0.411 10.006 ( 0.000 0.000 -4.219) 4.219 10.022 ( 0.000 0.000 -16.670) 16.670 11.552 ( 0.000 0.000 13.777) 13.777 11.756 ( 0.000 0.000 -7.727) 7.727 12.010 ( 0.000 0.000 2.384) 2.384 12.023 ( 0.000 0.000 0.897) 0.897 12.054 ( 0.000 0.000 31.638) 31.638 12.652 ( 0.000 0.000 -15.654) 15.654 12.857 ( 0.000 0.000 18.478) 18.478 13.202 ( 0.000 0.000 30.895) 30.895 13.490 ( 0.000 0.000 -32.240) 32.240 13.756 ( 0.000 0.000 -26.960) 26.960 14.921 ( 0.000 0.000 1.775) 1.775 14.955 ( 0.000 0.000 -1.875) 1.875 17.035 ( 0.000 0.000 1.288) 1.288 17.057 ( 0.000 0.000 -0.890) 0.890 17.106 ( 0.000 0.000 4.394) 4.394 17.161 ( 0.000 0.000 -1.682) 1.682 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 3.512 0.000 14.543) 14.961 1.791 ( -0.411 0.000 16.169) 16.174 1.902 ( 0.431 0.000 -10.691) 10.700 2.042 ( -2.158 0.000 -10.551) 10.770 2.337 ( 5.222 0.000 0.413) 5.239 2.358 ( 1.235 0.000 3.094) 3.332 2.457 ( -1.067 0.000 -6.739) 6.823 2.480 ( 0.610 0.000 -13.277) 13.291 2.785 ( 2.705 0.000 1.987) 3.356 2.834 ( 4.586 0.000 -3.061) 5.514 2.844 ( 0.638 0.000 6.095) 6.128 2.964 ( 1.282 0.000 -4.811) 4.979 3.366 ( -15.938 0.000 14.348) 21.445 3.632 ( -10.928 0.000 -12.502) 16.605 3.676 ( -1.856 0.000 24.333) 24.403 3.915 ( -8.532 0.000 10.586) 13.596 3.990 ( -10.836 0.000 -5.901) 12.339 4.303 ( -5.750 0.000 -17.599) 18.514 4.320 ( 0.204 0.000 8.004) 8.007 4.421 ( -0.603 0.000 -1.719) 1.822 4.589 ( -1.146 0.000 1.138) 1.615 4.642 ( 6.733 0.000 -8.360) 10.735 4.704 ( -0.875 0.000 0.624) 1.074 4.778 ( 3.252 0.000 -6.664) 7.416 4.952 ( -2.093 0.000 4.731) 5.173 5.117 ( -4.944 0.000 -9.520) 10.727 5.618 ( -4.157 0.000 2.670) 4.940 5.671 ( -2.219 0.000 -3.298) 3.975 5.872 ( 9.083 0.000 13.156) 15.987 6.091 ( 6.768 0.000 -9.907) 11.998 6.293 ( 14.379 0.000 3.755) 14.862 6.365 ( 15.402 0.000 -3.692) 15.838 7.523 ( 1.541 0.000 7.932) 8.080 7.677 ( 1.133 0.000 -7.642) 7.726 8.192 ( -4.549 0.000 12.166) 12.989 8.393 ( -5.982 0.000 -8.246) 10.187 8.995 ( 4.722 0.000 5.312) 7.107 9.083 ( 5.202 0.000 -3.988) 6.554 9.213 ( 2.440 0.000 5.950) 6.431 9.371 ( 1.921 0.000 -10.741) 10.911 9.694 ( -0.929 0.000 15.857) 15.884 9.972 ( 0.770 0.000 -0.126) 0.780 10.002 ( -1.846 0.000 -16.203) 16.308 10.007 ( -0.045 0.000 -3.614) 3.614 11.555 ( 0.405 0.000 13.260) 13.266 11.706 ( -23.784 0.000 30.580) 38.740 11.753 ( -0.081 0.000 -7.480) 7.480 11.963 ( -4.718 0.000 3.154) 5.675 11.986 ( -2.002 0.000 0.859) 2.179 12.329 ( -26.078 0.000 -34.383) 43.153 13.206 ( 27.752 0.000 35.274) 44.883 13.427 ( 20.415 0.000 31.057) 37.165 13.831 ( 23.676 0.000 -29.859) 38.106 13.985 ( 20.135 0.000 -27.346) 33.959 14.924 ( 0.394 0.000 1.785) 1.828 14.960 ( 0.515 0.000 -1.939) 2.006 16.978 ( -6.433 0.000 1.312) 6.565 16.996 ( -4.451 0.000 -0.668) 4.501 17.077 ( -2.816 0.000 4.421) 5.242 17.136 ( -2.405 0.000 -2.095) 3.189 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 3.115 0.000 8.839) 9.372 1.792 ( 0.621 0.000 12.415) 12.430 1.894 ( -1.681 0.000 -7.910) 8.087 1.992 ( -2.720 0.000 -9.191) 9.585 2.388 ( 0.833 0.000 1.789) 1.973 2.440 ( 4.128 0.000 -0.622) 4.174 2.449 ( 1.085 0.000 -4.500) 4.629 2.497 ( 0.892 0.000 -5.766) 5.835 2.834 ( 0.941 0.000 4.290) 4.392 2.855 ( 0.480 0.000 2.673) 2.716 2.913 ( 1.404 0.000 -4.223) 4.450 2.972 ( -0.558 0.000 -8.256) 8.275 3.035 ( -12.249 0.000 13.773) 18.432 3.337 ( -15.286 0.000 -17.218) 23.025 3.610 ( -6.420 0.000 7.720) 10.041 3.714 ( -13.654 0.000 -4.297) 14.314 3.807 ( 0.947 0.000 23.225) 23.244 4.234 ( -0.631 0.000 -17.246) 17.258 4.352 ( 2.978 0.000 8.260) 8.780 4.451 ( 2.738 0.000 -1.098) 2.950 4.500 ( -5.875 0.000 5.996) 8.394 4.648 ( -6.874 0.000 -12.256) 14.052 4.654 ( -3.689 0.000 4.937) 6.163 4.796 ( -1.515 0.000 -8.361) 8.497 4.965 ( 3.036 0.000 4.435) 5.374 5.089 ( 1.389 0.000 -7.413) 7.542 5.526 ( -4.069 0.000 4.291) 5.914 5.595 ( -4.169 0.000 -3.243) 5.281 6.098 ( 11.504 0.000 9.990) 15.236 6.257 ( 8.201 0.000 -6.745) 10.618 6.643 ( 18.078 0.000 5.458) 18.884 6.738 ( 18.793 0.000 -4.255) 19.269 7.551 ( 0.913 0.000 6.186) 6.253 7.687 ( -0.517 0.000 -7.833) 7.850 8.065 ( -7.398 0.000 10.241) 12.633 8.230 ( -9.289 0.000 -6.646) 11.422 9.130 ( 7.899 0.000 6.725) 10.373 9.229 ( 8.346 0.000 -3.789) 9.166 9.283 ( 4.114 0.000 4.469) 6.074 9.420 ( 2.482 0.000 -9.949) 10.254 9.673 ( -0.771 0.000 14.263) 14.283 9.954 ( -2.517 0.000 -14.769) 14.982 9.977 ( -0.557 0.000 -0.559) 0.789 10.001 ( -0.596 0.000 -2.950) 3.010 11.235 ( -20.244 0.000 23.766) 31.219 11.575 ( 1.624 0.000 12.336) 12.442 11.758 ( 0.466 0.000 -5.686) 5.705 11.764 ( -26.846 0.000 -31.132) 41.108 11.864 ( -4.249 0.000 5.476) 6.931 11.942 ( -2.128 0.000 -1.748) 2.754 13.802 ( 27.742 0.000 29.157) 40.247 13.972 ( 29.944 0.000 29.072) 41.735 14.291 ( 18.702 0.000 -21.880) 28.784 14.483 ( 25.215 0.000 -24.387) 35.078 14.940 ( 1.323 0.000 2.042) 2.433 14.984 ( 1.995 0.000 -2.470) 3.175 16.797 ( -10.070 0.000 4.013) 10.841 16.874 ( -7.319 0.000 -3.931) 8.308 16.997 ( -4.555 0.000 4.060) 6.102 17.064 ( -4.434 0.000 -3.039) 5.375 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -0.439 0.000 1.897) 1.947 1.814 ( 1.384 0.000 5.351) 5.527 1.828 ( -4.177 0.000 -4.827) 6.383 1.926 ( -3.557 0.000 -6.954) 7.811 2.400 ( 1.070 0.000 3.618) 3.773 2.476 ( -0.088 0.000 -3.218) 3.219 2.490 ( 0.730 0.000 2.548) 2.650 2.507 ( -0.137 0.000 1.447) 1.453 2.788 ( -1.449 0.000 8.557) 8.678 2.883 ( 2.542 0.000 -1.835) 3.135 2.891 ( 0.508 0.000 -2.226) 2.283 2.955 ( -2.016 0.000 -0.297) 2.037 2.962 ( -0.115 0.000 -8.764) 8.765 3.067 ( -9.829 0.000 -12.208) 15.673 3.451 ( -6.823 0.000 2.066) 7.129 3.489 ( -7.421 0.000 -1.967) 7.677 3.920 ( 8.106 0.000 17.593) 19.370 4.248 ( 0.091 0.000 -15.694) 15.694 4.396 ( -3.567 0.000 2.347) 4.270 4.422 ( 3.269 0.000 7.237) 7.941 4.443 ( -10.181 0.000 -3.465) 10.755 4.524 ( 3.770 0.000 0.841) 3.863 4.570 ( -3.481 0.000 3.996) 5.300 4.731 ( -4.341 0.000 -8.254) 9.326 5.024 ( 2.166 0.000 1.891) 2.875 5.102 ( -0.866 0.000 -5.748) 5.813 5.473 ( -0.808 0.000 4.084) 4.163 5.524 ( -2.558 0.000 -1.483) 2.956 6.309 ( 8.165 0.000 6.247) 10.281 6.394 ( 4.277 0.000 -2.594) 5.002 7.005 ( 15.928 0.000 6.565) 17.228 7.094 ( 14.422 0.000 -2.304) 14.605 7.556 ( -0.543 0.000 3.963) 4.000 7.649 ( -3.244 0.000 -5.712) 6.569 7.909 ( -6.355 0.000 6.003) 8.742 8.026 ( -9.716 0.000 -5.491) 11.160 9.296 ( 7.311 0.000 8.083) 10.899 9.374 ( 4.370 0.000 1.354) 4.575 9.385 ( 5.115 0.000 -0.835) 5.183 9.460 ( 0.987 0.000 -7.624) 7.688 9.686 ( 2.974 0.000 10.425) 10.841 9.900 ( -3.095 0.000 -10.189) 10.649 9.957 ( -0.946 0.000 -0.496) 1.068 9.979 ( -1.425 0.000 -2.895) 3.226 10.918 ( -8.835 0.000 9.807) 13.200 11.254 ( -21.447 0.000 -23.926) 32.132 11.621 ( 2.761 0.000 11.563) 11.888 11.746 ( -2.398 0.000 6.418) 6.851 11.819 ( 0.583 0.000 -3.426) 3.475 11.898 ( -2.140 0.000 -3.920) 4.466 14.298 ( 18.787 0.000 17.672) 25.792 14.551 ( 5.920 0.000 -9.001) 10.773 14.581 ( 26.679 0.000 22.083) 34.633 14.923 ( 14.416 0.000 -12.902) 19.346 14.987 ( 3.273 0.000 2.892) 4.367 15.043 ( 2.978 0.000 -2.490) 3.882 16.602 ( -7.258 0.000 2.969) 7.841 16.703 ( -8.687 0.000 -6.816) 11.042 16.909 ( -3.198 0.000 2.069) 3.809 16.963 ( -4.814 0.000 -3.449) 5.922 ======================= Grid point 256 (85/100) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -1.225 0.000 -2.172) 2.494 1.764 ( 1.225 0.000 -2.172) 2.494 1.856 ( -2.858 0.000 -2.224) 3.621 1.856 ( 2.858 0.000 -2.224) 3.621 2.439 ( -2.485 0.000 1.059) 2.701 2.439 ( 2.485 0.000 1.059) 2.701 2.497 ( -0.467 0.000 4.629) 4.652 2.497 ( 0.467 0.000 4.629) 4.652 2.849 ( -5.704 0.000 1.576) 5.917 2.849 ( 5.704 0.000 1.576) 5.917 2.943 ( -3.337 0.000 -5.575) 6.497 2.943 ( 3.337 0.000 -5.575) 6.497 2.943 ( -2.330 0.000 -6.506) 6.911 2.943 ( 2.330 0.000 -6.506) 6.911 3.393 ( -1.538 0.000 1.461) 2.121 3.393 ( 1.538 0.000 1.461) 2.121 4.118 ( -10.486 0.000 -0.011) 10.486 4.118 ( 10.486 0.000 -0.011) 10.486 4.357 ( -0.744 0.000 -1.529) 1.700 4.357 ( 0.744 0.000 -1.529) 1.700 4.487 ( -3.217 0.000 8.135) 8.747 4.487 ( 3.217 0.000 8.135) 8.747 4.631 ( -5.018 0.000 -6.322) 8.072 4.631 ( 5.018 0.000 -6.322) 8.072 5.065 ( -2.102 0.000 -1.663) 2.680 5.065 ( 2.102 0.000 -1.663) 2.680 5.484 ( -1.411 0.000 1.247) 1.883 5.484 ( 1.411 0.000 1.247) 1.883 6.418 ( -2.073 0.000 1.943) 2.842 6.418 ( 2.073 0.000 1.943) 2.842 7.240 ( -3.589 0.000 4.335) 5.628 7.240 ( 3.589 0.000 4.335) 5.628 7.562 ( -3.225 0.000 -0.366) 3.246 7.562 ( 3.225 0.000 -0.366) 3.246 7.872 ( -3.615 0.000 -2.399) 4.338 7.872 ( 3.615 0.000 -2.399) 4.338 9.405 ( -2.709 0.000 6.003) 6.586 9.405 ( 2.709 0.000 6.003) 6.586 9.447 ( -2.280 0.000 -3.212) 3.939 9.447 ( 2.280 0.000 -3.212) 3.939 9.800 ( -6.480 0.000 0.706) 6.518 9.800 ( 6.480 0.000 0.706) 6.518 9.953 ( -0.737 0.000 -1.780) 1.926 9.953 ( 0.737 0.000 -1.780) 1.926 10.921 ( -9.234 0.000 -10.366) 13.883 10.921 ( 9.234 0.000 -10.366) 13.883 11.684 ( -3.158 0.000 10.624) 11.084 11.684 ( 3.158 0.000 10.624) 11.084 11.853 ( -2.116 0.000 -5.279) 5.687 11.853 ( 2.116 0.000 -5.279) 5.687 14.551 ( -5.744 0.000 3.482) 6.717 14.551 ( 5.744 0.000 3.482) 6.717 14.983 ( -9.542 0.000 7.189) 11.947 14.983 ( 9.542 0.000 7.189) 11.947 15.056 ( -2.174 0.000 1.846) 2.851 15.056 ( 2.174 0.000 1.846) 2.851 16.558 ( -3.569 0.000 -4.399) 5.665 16.558 ( 3.569 0.000 -4.399) 5.665 16.890 ( -1.612 0.000 -1.538) 2.228 16.890 ( 1.612 0.000 -1.538) 2.228 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 -8.135 11.028) 13.703 1.726 ( 0.000 -10.448 -11.521) 15.553 1.893 ( 0.000 5.506 15.134) 16.104 2.164 ( 0.000 7.172 -11.585) 13.625 2.181 ( 0.000 -8.176 8.872) 12.065 2.345 ( 0.000 -7.882 -3.445) 8.602 2.368 ( 0.000 2.350 -3.760) 4.434 2.416 ( 0.000 -7.079 -14.779) 16.387 2.731 ( 0.000 -0.802 6.586) 6.635 2.835 ( 0.000 4.050 -2.321) 4.668 2.987 ( 0.000 2.362 0.711) 2.466 2.987 ( 0.000 10.636 -0.182) 10.637 3.598 ( 0.000 -0.878 8.776) 8.819 3.669 ( 0.000 1.539 20.869) 20.926 3.765 ( 0.000 -2.267 -7.357) 7.698 3.960 ( 0.000 -3.871 -8.094) 8.972 4.046 ( 0.000 5.169 17.606) 18.349 4.293 ( 0.000 -2.362 8.498) 8.820 4.443 ( 0.000 2.695 -19.880) 20.062 4.459 ( 0.000 -4.108 0.761) 4.178 4.484 ( 0.000 -0.135 -9.260) 9.261 4.519 ( 0.000 -4.309 -3.701) 5.680 4.868 ( 0.000 8.283 -2.577) 8.674 4.887 ( 0.000 10.594 -3.312) 11.099 5.011 ( 0.000 3.763 6.845) 7.811 5.213 ( 0.000 1.774 -12.067) 12.197 5.463 ( 0.000 -11.527 3.567) 12.066 5.502 ( 0.000 -12.618 -0.808) 12.644 5.923 ( 0.000 6.607 8.590) 10.837 6.079 ( 0.000 2.332 -7.064) 7.439 6.121 ( 0.000 0.093 2.318) 2.320 6.176 ( 0.000 -0.420 -3.583) 3.607 7.538 ( 0.000 3.415 9.106) 9.725 7.696 ( 0.000 3.259 -6.380) 7.164 8.208 ( 0.000 -3.010 11.741) 12.120 8.419 ( 0.000 -3.899 -9.234) 10.024 8.991 ( 0.000 3.985 4.717) 6.175 9.073 ( 0.000 3.855 -3.919) 5.497 9.179 ( 0.000 -0.558 5.715) 5.742 9.329 ( 0.000 -1.833 -9.870) 10.039 9.725 ( 0.000 2.040 14.332) 14.476 9.922 ( 0.000 -2.158 -2.663) 3.428 10.017 ( 0.000 1.098 -3.588) 3.753 10.066 ( 0.000 2.593 -12.040) 12.316 11.543 ( 0.000 -0.728 12.812) 12.833 11.731 ( 0.000 -2.440 -7.044) 7.455 11.963 ( 0.000 -4.098 2.498) 4.799 11.964 ( 0.000 -4.116 2.584) 4.860 12.227 ( 0.000 15.645 28.434) 32.454 12.744 ( 0.000 7.698 3.425) 8.425 12.912 ( 0.000 6.470 0.713) 6.509 13.176 ( 0.000 -2.373 29.743) 29.838 13.512 ( 0.000 2.002 -30.515) 30.580 13.744 ( 0.000 -1.181 -26.993) 27.019 14.659 ( 0.000 -24.183 3.623) 24.453 14.733 ( 0.000 -20.369 -4.166) 20.791 16.987 ( 0.000 -0.848 1.952) 2.128 17.010 ( 0.000 -1.197 -0.653) 1.364 17.275 ( 0.000 11.048 3.159) 11.491 17.316 ( 0.000 10.308 -1.208) 10.379 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.12 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 4.328 -7.911 9.637) 13.198 1.746 ( 1.609 -8.602 -8.385) 12.119 1.850 ( -2.399 0.875 10.107) 10.424 2.067 ( -5.771 -1.366 -10.012) 11.637 2.189 ( 0.202 -4.543 7.682) 8.927 2.381 ( 3.002 -3.532 3.436) 5.770 2.404 ( -0.272 -5.232 -13.522) 14.502 2.516 ( 7.814 3.796 -9.083) 12.568 2.723 ( -0.753 -3.177 6.498) 7.272 2.830 ( -1.303 -0.889 -3.500) 3.839 2.970 ( 0.148 5.430 4.682) 7.171 3.047 ( 3.191 8.075 -2.891) 9.151 3.431 ( -12.993 4.478 8.031) 15.918 3.587 ( -10.064 -2.226 1.221) 10.380 3.689 ( -3.394 -1.304 4.893) 6.096 3.867 ( -7.339 -0.653 -1.747) 7.572 3.930 ( -8.799 1.114 12.393) 15.240 4.258 ( -7.187 -2.775 -6.516) 10.090 4.350 ( -1.447 0.212 -1.042) 1.796 4.419 ( -2.795 -1.636 -3.116) 4.494 4.590 ( 4.355 -0.751 1.806) 4.774 4.640 ( 7.351 0.453 -6.076) 9.548 4.797 ( -4.665 4.236 -1.489) 6.475 4.864 ( -0.269 5.039 -7.705) 9.211 5.015 ( 0.248 7.121 5.526) 9.017 5.156 ( -2.443 4.261 -7.384) 8.868 5.497 ( -0.588 -9.431 2.062) 9.671 5.541 ( 2.439 -8.235 -2.536) 8.955 5.965 ( 5.492 5.670 9.041) 12.002 6.122 ( 5.683 1.941 -7.028) 9.244 6.296 ( 13.861 0.073 2.923) 14.166 6.357 ( 15.295 -0.675 -3.409) 15.685 7.551 ( 0.944 2.743 8.339) 8.829 7.703 ( 0.440 2.484 -6.756) 7.211 8.157 ( -4.701 -3.138 11.159) 12.508 8.353 ( -5.945 -3.820 -8.410) 10.985 9.037 ( 4.378 3.613 5.015) 7.574 9.120 ( 4.355 2.959 -3.549) 6.349 9.205 ( 2.507 -0.427 5.084) 5.685 9.350 ( 1.875 -1.876 -9.725) 10.080 9.713 ( -1.033 1.974 13.692) 13.872 9.921 ( -0.378 -2.393 -4.689) 5.278 10.015 ( -0.298 1.234 -2.812) 3.085 10.063 ( -0.225 2.956 -10.091) 10.517 11.548 ( 0.518 -0.552 12.310) 12.333 11.730 ( -0.129 -2.287 -6.693) 7.074 11.831 ( -17.422 8.029 21.185) 28.580 11.937 ( -2.652 -3.346 2.498) 4.947 11.972 ( -8.327 4.117 8.812) 12.804 12.460 ( -24.618 12.472 -31.675) 42.011 13.220 ( 25.885 0.767 34.066) 42.791 13.400 ( 20.030 -2.111 29.975) 36.113 13.836 ( 21.255 -0.587 -28.394) 35.473 13.958 ( 19.372 -2.000 -26.545) 32.923 14.666 ( 0.846 -23.519 3.633) 23.813 14.743 ( 1.228 -19.130 -4.484) 19.687 16.955 ( -3.114 -0.223 1.222) 3.352 16.964 ( -4.100 -0.154 0.139) 4.105 17.240 ( -3.334 11.079 2.631) 11.865 17.275 ( -3.753 10.143 -1.046) 10.865 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 6.083 -5.827 5.873) 10.269 1.772 ( 1.007 -2.820 1.967) 3.583 1.853 ( 2.371 -3.629 -2.012) 4.779 1.981 ( -2.435 -4.199 -8.294) 9.610 2.179 ( -1.178 -7.128 6.924) 10.007 2.363 ( -3.059 -5.915 -9.403) 11.523 2.420 ( -0.161 -3.471 7.080) 7.887 2.625 ( 1.613 4.778 -7.366) 8.927 2.704 ( -1.002 -8.290 2.813) 8.812 2.768 ( -3.330 -7.525 -2.713) 8.665 2.970 ( -0.734 3.800 4.968) 6.298 3.078 ( -1.180 5.352 -2.363) 5.968 3.168 ( -11.037 9.210 2.968) 14.678 3.336 ( -11.661 1.471 -10.463) 15.736 3.572 ( -9.642 -4.239 2.574) 10.843 3.671 ( -12.252 -0.361 -7.215) 14.223 3.832 ( 2.665 3.453 21.399) 21.839 4.151 ( -1.872 -5.731 -7.335) 9.495 4.289 ( -3.424 -3.276 1.332) 4.923 4.353 ( -2.423 -1.393 -2.907) 4.033 4.663 ( 2.077 6.693 7.336) 10.145 4.724 ( 0.530 3.268 -3.687) 4.955 4.742 ( -0.679 2.988 -1.818) 3.563 4.871 ( 0.308 6.345 -9.428) 11.369 5.038 ( 1.933 7.654 5.137) 9.418 5.151 ( 1.477 6.190 -5.509) 8.417 5.453 ( -3.137 -5.793 3.889) 7.650 5.524 ( -2.949 -5.554 -3.683) 7.287 6.149 ( 10.623 4.824 8.192) 14.256 6.279 ( 8.193 2.169 -5.489) 10.098 6.632 ( 17.405 -1.266 5.254) 18.224 6.723 ( 18.391 -1.612 -4.083) 18.908 7.565 ( 0.256 1.391 6.412) 6.566 7.699 ( -1.090 1.129 -7.204) 7.373 8.025 ( -7.674 -3.563 9.670) 12.849 8.190 ( -9.316 -3.783 -6.979) 12.240 9.160 ( 6.935 2.219 5.719) 9.259 9.234 ( 5.816 -0.447 -0.987) 5.917 9.282 ( 4.894 0.553 1.809) 5.247 9.398 ( 2.542 -1.808 -8.939) 9.468 9.692 ( -0.608 2.080 12.049) 12.242 9.902 ( -1.187 -2.074 -7.888) 8.242 10.000 ( -1.315 1.544 -0.415) 2.070 10.055 ( -0.729 3.264 -7.172) 7.913 11.422 ( -17.570 17.440 21.414) 32.732 11.573 ( 1.479 0.190 10.803) 10.906 11.737 ( 0.506 -1.976 -5.169) 5.557 11.842 ( -8.801 1.138 -1.357) 8.978 11.861 ( -7.714 0.603 -6.590) 10.164 11.981 ( -14.249 10.072 -16.100) 23.743 13.761 ( 24.952 -6.809 26.920) 37.332 13.925 ( 27.783 -3.139 26.352) 38.421 14.231 ( 15.183 -10.674 -18.061) 25.897 14.422 ( 21.979 -3.432 -21.336) 30.823 14.704 ( 3.247 -20.181 3.962) 20.820 14.804 ( 5.294 -12.800 -6.586) 15.337 16.845 ( -6.261 3.815 2.085) 7.623 16.880 ( -4.151 1.563 -1.211) 4.597 17.139 ( -6.193 10.870 1.577) 12.609 17.171 ( -6.019 9.104 -1.596) 11.030 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.38 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 3.747 -1.354 0.710) 4.047 1.800 ( 1.532 -1.254 0.524) 2.048 1.882 ( -0.983 2.573 -1.819) 3.301 1.930 ( -3.475 1.448 -4.633) 5.970 2.181 ( 2.694 -14.227 7.064) 16.111 2.322 ( -0.222 -8.287 -1.076) 8.360 2.396 ( -0.463 -8.168 3.967) 9.092 2.599 ( -3.570 0.556 -7.361) 8.200 2.678 ( -0.451 -7.901 3.937) 8.839 2.751 ( 1.991 -7.429 -1.868) 7.914 2.920 ( -5.211 -2.661 1.312) 5.997 2.990 ( -3.815 4.616 2.291) 6.411 3.022 ( -4.157 1.707 -7.666) 8.885 3.116 ( -9.921 3.786 -10.736) 15.100 3.383 ( -6.575 -5.741 1.836) 8.920 3.440 ( -8.766 -3.507 -3.892) 10.212 3.935 ( 5.608 2.020 11.392) 12.857 4.131 ( -2.490 -5.828 -8.103) 10.287 4.262 ( 2.272 -1.004 4.686) 5.304 4.344 ( 0.488 2.410 -3.473) 4.255 4.652 ( -1.005 7.427 6.286) 9.782 4.714 ( -1.923 9.435 4.803) 10.760 4.768 ( 2.720 7.211 -4.955) 9.162 4.864 ( -0.828 11.218 -7.471) 13.504 5.073 ( 1.260 5.983 3.820) 7.209 5.167 ( -1.136 7.498 -5.185) 9.187 5.401 ( -0.920 -5.986 4.752) 7.698 5.463 ( -2.516 -5.017 -2.019) 5.964 6.349 ( 7.822 4.351 5.327) 10.416 6.419 ( 4.597 2.889 -2.006) 5.788 6.981 ( 15.379 -2.503 6.599) 16.921 7.071 ( 13.948 -2.529 -2.229) 14.349 7.559 ( -0.753 0.389 3.992) 4.081 7.655 ( -3.240 0.548 -5.994) 6.836 7.864 ( -6.592 -4.172 6.034) 9.862 7.986 ( -9.805 -3.842 -5.973) 12.106 9.298 ( 5.664 -0.511 5.646) 8.014 9.343 ( 4.685 -2.628 0.145) 5.374 9.378 ( 2.937 -1.027 0.399) 3.137 9.439 ( 0.940 -1.796 -6.587) 6.892 9.713 ( 3.330 2.787 9.273) 10.239 9.887 ( -0.401 0.350 -6.924) 6.945 9.959 ( -2.157 0.975 1.465) 2.783 10.026 ( -2.150 3.127 -5.674) 6.826 11.152 ( -7.280 21.919 8.783) 24.710 11.439 ( -18.414 17.054 -19.509) 31.789 11.624 ( 2.453 0.821 9.514) 9.859 11.739 ( -1.716 -0.584 3.522) 3.961 11.801 ( 0.086 -1.329 -1.244) 1.822 11.879 ( -2.433 -1.253 -3.522) 4.460 14.192 ( 14.974 -16.389 13.907) 26.196 14.374 ( 6.410 -22.206 -3.429) 23.365 14.511 ( 19.752 -6.418 15.807) 26.100 14.759 ( 9.786 -10.199 -3.789) 14.633 14.832 ( 8.084 -9.714 1.303) 12.704 14.949 ( 6.411 -3.795 -6.508) 9.892 16.739 ( -2.971 9.967 1.593) 10.522 16.804 ( -2.959 6.943 -4.506) 8.790 16.999 ( -6.465 8.624 0.877) 10.814 17.036 ( -6.468 6.878 -2.766) 9.838 ======================= Grid point 265 (90/100) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -1.860 -0.208 -0.801) 2.036 1.831 ( 1.860 -0.208 -0.801) 2.036 1.857 ( -2.777 4.502 -2.787) 5.979 1.857 ( 2.777 4.502 -2.787) 5.979 2.269 ( -4.474 -11.924 9.066) 15.633 2.269 ( 4.474 -11.924 9.066) 15.633 2.478 ( -6.572 -3.658 -6.378) 9.861 2.478 ( 6.572 -3.658 -6.378) 9.861 2.752 ( -6.437 -8.552 2.832) 11.072 2.752 ( 6.437 -8.552 2.832) 11.072 2.880 ( -6.905 -3.653 -2.097) 8.089 2.880 ( 6.905 -3.653 -2.097) 8.089 2.991 ( -1.511 2.089 -8.230) 8.625 2.991 ( 1.511 2.089 -8.230) 8.625 3.330 ( -1.519 -5.777 -0.693) 6.013 3.330 ( 1.519 -5.777 -0.693) 6.013 4.046 ( -4.989 -1.558 0.191) 5.230 4.046 ( 4.989 -1.558 0.191) 5.230 4.329 ( -2.425 2.381 -0.159) 3.402 4.329 ( 2.425 2.381 -0.159) 3.402 4.665 ( -2.146 10.702 8.018) 13.543 4.665 ( 2.146 10.702 8.018) 13.543 4.828 ( -2.727 10.203 -7.634) 13.031 4.828 ( 2.727 10.203 -7.634) 13.031 5.113 ( -2.908 6.635 0.496) 7.262 5.113 ( 2.908 6.635 0.496) 7.262 5.418 ( -1.879 -5.441 1.003) 5.843 5.418 ( 1.879 -5.441 1.003) 5.843 6.451 ( -1.713 3.754 1.836) 4.516 6.451 ( 1.713 3.754 1.836) 4.516 7.207 ( -3.547 -3.436 4.515) 6.691 7.207 ( 3.547 -3.436 4.515) 6.691 7.568 ( -3.371 0.679 -0.565) 3.485 7.568 ( 3.371 0.679 -0.565) 3.485 7.828 ( -3.874 -4.144 -2.831) 6.340 7.828 ( 3.874 -4.144 -2.831) 6.340 9.381 ( -2.238 -2.315 3.644) 4.863 9.381 ( 2.238 -2.315 3.644) 4.863 9.423 ( -2.594 -2.509 -3.108) 4.763 9.423 ( 2.594 -2.509 -3.108) 4.763 9.820 ( -5.728 2.528 4.427) 7.668 9.820 ( 5.728 2.528 4.427) 7.668 9.971 ( -2.742 1.769 -4.431) 5.502 9.971 ( 2.742 1.769 -4.431) 5.502 11.155 ( -7.663 21.943 -7.881) 24.543 11.155 ( 7.663 21.943 -7.881) 24.543 11.684 ( -3.001 0.230 8.909) 9.404 11.684 ( 3.001 0.230 8.909) 9.404 11.832 ( -2.110 -1.760 -4.309) 5.111 11.832 ( 2.110 -1.760 -4.309) 5.111 14.376 ( -3.937 -23.914 1.481) 24.281 14.376 ( 3.937 -23.914 1.481) 24.281 14.824 ( -6.800 -10.154 5.349) 13.340 14.824 ( 6.800 -10.154 5.349) 13.340 14.964 ( -5.257 -3.346 4.227) 7.530 14.964 ( 5.257 -3.346 4.227) 7.530 16.744 ( -2.811 14.106 -3.276) 14.751 16.744 ( 2.811 14.106 -3.276) 14.751 16.937 ( -1.732 4.322 -1.482) 4.886 16.937 ( 1.732 4.322 -1.482) 4.886 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 -3.017 2.225) 3.749 1.518 ( 0.000 -8.402 -12.181) 14.798 1.991 ( 0.000 -8.333 3.318) 8.969 2.074 ( 0.000 10.997 14.470) 18.174 2.094 ( 0.000 -12.866 -5.918) 14.162 2.313 ( 0.000 4.977 -10.185) 11.336 2.368 ( 0.000 0.776 -0.563) 0.959 2.403 ( 0.000 0.301 -1.006) 1.050 2.751 ( 0.000 2.776 3.463) 4.438 2.853 ( 0.000 -2.149 -3.935) 4.484 2.952 ( 0.000 -5.121 5.129) 7.248 3.080 ( 0.000 -4.403 -6.852) 8.145 3.638 ( 0.000 9.260 5.466) 10.753 3.703 ( 0.000 3.695 -2.984) 4.749 3.817 ( 0.000 8.839 12.999) 15.720 4.030 ( 0.000 3.654 -6.443) 7.407 4.208 ( 0.000 7.487 15.234) 16.975 4.228 ( 0.000 -3.628 10.586) 11.191 4.349 ( 0.000 -4.710 2.354) 5.265 4.405 ( 0.000 -5.106 -4.474) 6.789 4.460 ( 0.000 -1.927 -10.541) 10.716 4.518 ( 0.000 2.751 -7.067) 7.584 4.880 ( 0.000 -2.547 -1.049) 2.755 4.982 ( 0.000 -0.316 -7.035) 7.042 5.040 ( 0.000 -5.374 0.638) 5.412 5.131 ( 0.000 -12.600 -7.361) 14.593 5.427 ( 0.000 8.921 0.553) 8.938 5.450 ( 0.000 9.010 -2.045) 9.239 5.972 ( 0.000 -1.326 5.313) 5.475 6.033 ( 0.000 -5.238 -1.037) 5.340 6.150 ( 0.000 2.695 0.889) 2.838 6.197 ( 0.000 1.137 -4.007) 4.165 7.633 ( 0.000 5.752 9.962) 11.504 7.764 ( 0.000 2.317 -1.136) 2.581 8.151 ( 0.000 -1.504 5.473) 5.676 8.313 ( 0.000 -6.336 -8.860) 10.892 9.070 ( 0.000 3.259 4.276) 5.376 9.126 ( 0.000 0.300 1.243) 1.279 9.192 ( 0.000 2.594 -0.984) 2.775 9.288 ( 0.000 -2.057 -8.001) 8.261 9.785 ( 0.000 3.852 10.206) 10.909 9.893 ( 0.000 -1.002 -0.354) 1.063 10.047 ( 0.000 1.708 -3.311) 3.726 10.097 ( 0.000 0.245 -8.895) 8.899 11.534 ( 0.000 0.295 9.023) 9.028 11.659 ( 0.000 -4.578 -4.065) 6.122 11.879 ( 0.000 -3.465 2.781) 4.443 11.881 ( 0.000 -3.492 2.360) 4.215 12.649 ( 0.000 24.847 25.083) 35.306 12.873 ( 0.000 4.882 33.250) 33.607 13.128 ( 0.000 -1.243 28.265) 28.292 13.170 ( 0.000 18.661 -25.977) 31.985 13.558 ( 0.000 2.158 -28.518) 28.600 13.712 ( 0.000 -2.035 -26.679) 26.756 14.058 ( 0.000 -33.345 8.455) 34.401 14.239 ( 0.000 -26.843 -10.523) 28.831 16.997 ( 0.000 1.195 1.504) 1.921 17.011 ( 0.000 0.608 -0.079) 0.613 17.469 ( 0.000 7.405 2.319) 7.760 17.491 ( 0.000 6.316 0.000) 6.316 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 3.264 -4.870 1.959) 6.181 1.534 ( 1.814 -9.985 -10.658) 14.717 1.911 ( -6.503 2.859 4.930) 8.647 1.965 ( -2.891 -4.829 -1.018) 5.720 2.219 ( -4.382 4.324 -2.101) 6.505 2.248 ( 4.885 -3.909 -3.238) 7.045 2.366 ( 0.290 -1.247 5.641) 5.785 2.493 ( 3.214 -6.394 -3.053) 7.780 2.723 ( -4.037 0.191 5.750) 7.028 2.780 ( -4.090 -1.602 -2.835) 5.228 2.961 ( 0.360 -3.825 2.565) 4.619 3.114 ( 1.210 -4.033 -10.069) 10.914 3.583 ( -6.082 12.159 1.983) 13.739 3.627 ( -6.170 8.437 -2.363) 10.716 3.750 ( -4.798 6.379 11.971) 14.388 3.907 ( -8.984 1.087 1.543) 9.180 4.020 ( -9.808 5.465 5.551) 12.525 4.196 ( -8.907 -4.039 -5.232) 11.091 4.326 ( -2.296 -1.712 2.484) 3.791 4.368 ( -1.724 -3.138 -2.428) 4.326 4.568 ( 8.986 -0.697 3.161) 9.551 4.625 ( 5.821 -1.790 0.164) 6.092 4.811 ( -4.797 -1.485 -3.307) 6.012 4.903 ( -2.386 -1.405 -9.842) 10.224 5.084 ( 3.483 -1.775 3.132) 5.009 5.179 ( 3.286 -6.096 -5.446) 8.811 5.425 ( -0.231 6.421 3.071) 7.121 5.502 ( 1.629 4.159 -5.245) 6.889 6.051 ( 8.478 2.934 5.848) 10.709 6.140 ( 8.682 -0.493 -3.417) 9.343 6.290 ( 11.987 -0.185 2.165) 12.182 6.340 ( 12.783 -1.190 -3.076) 13.202 7.629 ( -0.511 4.874 9.116) 10.350 7.754 ( -1.026 1.537 -1.477) 2.366 8.097 ( -4.972 -1.616 5.210) 7.380 8.251 ( -5.735 -6.107 -8.255) 11.761 9.105 ( 3.166 2.495 4.109) 5.756 9.150 ( 2.127 -0.332 1.680) 2.730 9.225 ( 2.984 2.359 -1.410) 4.057 9.309 ( 1.932 -1.991 -7.781) 8.261 9.775 ( -0.804 4.137 9.573) 10.459 9.891 ( -0.293 -0.952 -1.566) 1.856 10.048 ( 0.076 1.907 -2.356) 3.032 10.099 ( 0.159 0.431 -7.810) 7.823 11.543 ( 0.886 0.512 8.587) 8.647 11.662 ( 0.379 -4.211 -3.883) 5.740 11.842 ( -3.506 -1.990 3.708) 5.477 11.861 ( -1.580 -3.288 2.044) 4.182 12.320 ( -17.675 24.741 23.587) 38.482 12.797 ( -21.258 20.094 -25.496) 38.803 13.164 ( 13.431 -7.958 29.361) 33.253 13.411 ( 21.736 4.576 25.764) 34.017 13.705 ( 5.180 -13.708 -20.815) 25.456 13.966 ( 21.633 1.848 -24.626) 32.830 14.115 ( 6.353 -27.134 8.724) 29.201 14.338 ( 9.734 -17.868 -13.754) 24.560 16.973 ( -2.122 1.439 1.080) 2.782 16.981 ( -2.642 1.184 0.125) 2.898 17.435 ( -3.197 7.469 1.888) 8.341 17.453 ( -3.594 6.589 0.086) 7.506 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 7.087 -7.627 1.539) 10.524 1.603 ( 4.915 -11.943 -6.332) 14.383 1.816 ( -2.718 1.430 1.862) 3.592 1.889 ( -3.630 -2.496 -5.215) 6.827 2.162 ( -1.349 1.969 1.729) 2.947 2.259 ( -2.724 -3.637 -8.210) 9.384 2.374 ( -0.718 -2.209 12.828) 13.036 2.495 ( -1.589 -11.028 -0.947) 11.182 2.587 ( -6.290 -3.101 8.279) 10.850 2.736 ( -1.976 -1.263 -1.439) 2.751 2.941 ( -2.934 -2.457 -4.769) 6.115 3.083 ( -3.856 -3.778 -11.377) 12.593 3.362 ( -13.747 8.756 4.118) 16.811 3.450 ( -11.517 6.150 -4.546) 13.825 3.555 ( -13.926 4.136 6.246) 15.813 3.713 ( -14.951 2.346 -9.651) 17.950 3.918 ( 3.937 5.548 9.927) 12.034 4.075 ( 0.189 -1.953 -5.678) 6.008 4.283 ( 0.301 2.998 6.343) 7.023 4.372 ( 2.442 1.065 -2.436) 3.610 4.700 ( 1.863 -3.164 -1.104) 3.834 4.727 ( 2.255 -1.751 9.720) 10.131 4.743 ( 1.489 -0.653 -4.482) 4.767 4.923 ( 2.853 -3.013 -9.220) 10.111 5.169 ( 4.165 3.513 4.475) 7.051 5.254 ( 3.578 0.128 -3.771) 5.200 5.398 ( -2.206 3.976 4.611) 6.476 5.485 ( -2.679 2.224 -4.506) 5.694 6.281 ( 11.969 7.858 4.443) 14.992 6.347 ( 10.275 4.667 -2.534) 11.567 6.585 ( 15.435 -3.383 4.408) 16.405 6.664 ( 16.742 -4.556 -3.545) 17.709 7.608 ( -1.530 2.882 6.880) 7.614 7.717 ( -2.540 -0.105 -2.465) 3.541 7.957 ( -8.209 -1.947 4.566) 9.593 8.091 ( -9.184 -5.734 -7.227) 13.018 9.187 ( 4.354 0.353 3.401) 5.537 9.209 ( 3.434 -1.470 1.669) 4.092 9.302 ( 3.804 1.023 -1.519) 4.222 9.360 ( 2.580 -1.923 -6.841) 7.560 9.763 ( 0.113 4.855 8.298) 9.615 9.884 ( 0.024 -0.310 -3.474) 3.487 10.043 ( -0.821 2.509 -0.009) 2.640 10.098 ( -0.443 0.813 -5.859) 5.931 11.569 ( 1.463 0.957 8.183) 8.368 11.677 ( 0.944 -3.341 -3.371) 4.839 11.750 ( -4.897 3.568 6.378) 8.797 11.821 ( -2.241 -2.855 -0.098) 3.631 12.018 ( -10.775 27.056 14.875) 32.702 12.377 ( -18.286 26.293 -21.992) 38.850 13.410 ( 9.623 -28.082 17.710) 34.566 13.689 ( 1.665 -29.882 -9.827) 31.500 13.997 ( 24.243 0.594 22.206) 32.881 14.296 ( 14.007 -14.262 10.937) 22.786 14.447 ( 19.982 1.532 -16.377) 25.882 14.615 ( 15.160 -6.475 -15.431) 22.580 16.918 ( -2.671 2.992 0.391) 4.030 16.925 ( -2.038 2.306 -0.199) 3.084 17.337 ( -6.270 7.603 0.778) 9.886 17.346 ( -6.528 6.960 -0.197) 9.545 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 5.344 -7.174 0.861) 8.987 1.719 ( 4.550 -9.027 -2.868) 10.508 1.789 ( 0.570 -7.154 1.857) 7.414 1.854 ( 0.519 -8.272 -3.361) 8.944 2.136 ( -1.263 6.157 2.689) 6.836 2.240 ( 3.517 2.566 -7.598) 8.757 2.315 ( -4.627 1.232 15.618) 16.336 2.492 ( 1.107 -10.176 -0.962) 10.282 2.522 ( 0.900 -6.022 4.124) 7.354 2.681 ( -2.938 -2.576 -4.128) 5.684 2.802 ( -10.782 -5.145 -4.166) 12.652 2.973 ( -7.355 -5.016 -10.735) 13.946 3.104 ( -8.584 4.816 1.063) 9.900 3.197 ( -11.852 3.975 -8.238) 14.972 3.275 ( -9.506 -3.791 3.297) 10.752 3.384 ( -13.998 -2.944 -7.824) 16.304 4.044 ( 6.280 9.427 5.879) 12.762 4.131 ( 2.690 5.889 -2.870) 7.082 4.349 ( 4.785 5.972 5.840) 9.627 4.438 ( 2.430 4.724 -2.800) 6.005 4.706 ( 0.713 -1.677 2.097) 2.778 4.759 ( 3.781 -4.140 -1.703) 5.860 4.809 ( 1.013 -0.893 3.826) 4.057 4.952 ( -0.966 -3.915 -7.963) 8.926 5.245 ( 2.935 6.797 5.292) 9.100 5.313 ( 2.167 3.603 -1.729) 4.546 5.348 ( -2.323 3.184 4.956) 6.332 5.419 ( -3.181 2.760 -2.288) 4.793 6.497 ( 8.095 10.134 3.205) 13.360 6.530 ( 6.574 8.702 -0.203) 10.908 6.895 ( 13.477 -6.379 6.170) 16.137 6.978 ( 12.164 -7.241 -1.834) 14.275 7.574 ( -1.310 1.204 3.768) 4.167 7.660 ( -2.470 -0.825 -4.500) 5.199 7.779 ( -7.957 -2.705 3.600) 9.143 7.889 ( -9.748 -5.340 -6.467) 12.860 9.271 ( 3.528 -1.605 2.167) 4.440 9.286 ( 3.863 -2.552 0.011) 4.629 9.353 ( 0.631 -1.046 -0.371) 1.276 9.393 ( 0.087 -2.619 -5.012) 5.656 9.800 ( 3.714 5.441 6.990) 9.605 9.912 ( 2.738 1.032 -4.025) 4.976 10.004 ( -2.996 3.109 2.629) 5.055 10.071 ( -2.320 1.021 -4.491) 5.157 11.591 ( 0.285 5.819 8.635) 10.416 11.659 ( -2.422 8.099 2.858) 8.923 11.704 ( 0.544 -1.934 -0.091) 2.011 11.765 ( -3.053 0.371 -3.496) 4.656 11.883 ( -2.292 24.217 5.878) 25.025 12.065 ( -11.295 28.959 -13.688) 33.964 13.553 ( 4.581 -42.014 6.402) 42.745 13.675 ( -1.920 -42.101 -6.533) 42.648 14.474 ( 19.846 1.532 17.156) 26.278 14.623 ( 15.548 -5.299 10.388) 19.436 14.762 ( 9.025 0.680 -5.057) 10.368 14.874 ( 7.697 -3.813 -7.715) 11.546 16.901 ( 1.727 5.666 -0.391) 5.936 16.918 ( 1.895 4.234 -1.864) 4.999 17.180 ( -8.493 7.526 -0.505) 11.359 17.189 ( -8.347 6.717 -1.299) 10.792 ======================= Grid point 274 (95/100) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -1.157 -6.179 -1.594) 6.485 1.739 ( 1.157 -6.179 -1.594) 6.485 1.846 ( -2.471 -9.652 1.539) 10.082 1.846 ( 2.471 -9.652 1.539) 10.082 2.178 ( -5.415 5.913 10.039) 12.848 2.178 ( 5.415 5.913 10.039) 12.848 2.437 ( -10.429 0.756 -9.764) 14.307 2.437 ( 10.429 0.756 -9.764) 14.307 2.571 ( -5.446 -8.087 4.243) 10.633 2.571 ( 5.446 -8.087 4.243) 10.633 2.762 ( -10.165 -8.048 -6.475) 14.492 2.762 ( 10.165 -8.048 -6.475) 14.492 3.043 ( -2.295 3.148 -5.333) 6.604 3.043 ( 2.295 3.148 -5.333) 6.604 3.207 ( -2.603 -5.627 -3.504) 7.121 3.207 ( 2.603 -5.627 -3.504) 7.121 4.138 ( -2.285 10.206 2.224) 10.692 4.138 ( 2.285 10.206 2.224) 10.692 4.433 ( -2.676 5.165 -0.155) 5.819 4.433 ( 2.676 5.165 -0.155) 5.819 4.761 ( -3.450 -1.058 5.320) 6.428 4.761 ( 3.450 -1.058 5.320) 6.428 4.879 ( -5.375 -3.928 -6.490) 9.297 4.879 ( 5.375 -3.928 -6.490) 9.297 5.296 ( -2.403 7.337 4.579) 8.976 5.296 ( 2.403 7.337 4.579) 8.976 5.363 ( -2.402 1.901 -0.543) 3.111 5.363 ( 2.402 1.901 -0.543) 3.111 6.593 ( -0.810 10.793 1.948) 10.997 6.593 ( 0.810 10.793 1.948) 10.997 7.088 ( -3.085 -8.902 4.427) 10.410 7.088 ( 3.085 -8.902 4.427) 10.410 7.591 ( -3.739 1.654 -1.280) 4.284 7.591 ( 3.739 1.654 -1.280) 4.284 7.728 ( -4.268 -5.247 -3.305) 7.528 7.728 ( 4.268 -5.247 -3.305) 7.528 9.332 ( -2.246 -1.995 1.028) 3.175 9.332 ( 2.246 -1.995 1.028) 3.175 9.360 ( -2.940 -3.122 -2.601) 5.016 9.360 ( 2.940 -3.122 -2.601) 5.016 9.901 ( -5.034 4.878 4.807) 8.500 9.901 ( 5.034 4.878 4.807) 8.500 10.003 ( -3.844 0.779 -3.622) 5.338 10.003 ( 3.844 0.779 -3.622) 5.338 11.610 ( -2.222 10.086 4.126) 11.121 11.610 ( 2.222 10.086 4.126) 11.121 11.720 ( -1.306 1.355 -1.423) 2.359 11.720 ( 1.306 1.355 -1.423) 2.359 11.908 ( -4.272 24.186 -3.569) 24.818 11.908 ( 4.272 24.186 -3.569) 24.818 13.625 ( -2.805 -45.397 -0.939) 45.493 13.625 ( 2.805 -45.397 -0.939) 45.493 14.764 ( -6.643 0.967 5.158) 8.466 14.764 ( 6.643 0.967 5.158) 8.466 14.887 ( -6.084 -4.108 4.741) 8.739 14.887 ( 6.084 -4.108 4.741) 8.739 16.988 ( -2.472 8.803 -2.175) 9.399 16.988 ( 2.472 8.803 -2.175) 9.399 17.034 ( -2.154 4.422 -1.452) 5.129 17.034 ( 2.154 4.422 -1.452) 5.129 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 -3.493 -5.675) 6.664 1.404 ( 0.000 3.493 -5.675) 6.664 1.918 ( 0.000 -2.842 -3.523) 4.526 1.918 ( 0.000 2.842 -3.523) 4.526 2.298 ( 0.000 -8.849 5.851) 10.609 2.298 ( 0.000 8.849 5.851) 10.609 2.383 ( 0.000 -1.740 2.308) 2.890 2.383 ( 0.000 1.740 2.308) 2.890 2.812 ( 0.000 -2.139 -2.435) 3.241 2.812 ( 0.000 2.139 -2.435) 3.241 2.927 ( 0.000 -5.385 -5.126) 7.435 2.927 ( 0.000 5.385 -5.126) 7.435 3.814 ( 0.000 -0.560 4.572) 4.606 3.814 ( 0.000 0.560 4.572) 4.606 3.961 ( 0.000 -7.293 0.024) 7.293 3.961 ( 0.000 7.293 0.024) 7.293 4.192 ( 0.000 -1.093 8.847) 8.915 4.192 ( 0.000 1.093 8.847) 8.915 4.379 ( 0.000 -1.248 -5.873) 6.004 4.379 ( 0.000 1.248 -5.873) 6.004 4.478 ( 0.000 -6.393 7.570) 9.908 4.478 ( 0.000 6.393 7.570) 9.908 4.903 ( 0.000 -6.965 -10.071) 12.245 4.903 ( 0.000 6.965 -10.071) 12.245 4.973 ( 0.000 -0.171 -4.084) 4.088 4.973 ( 0.000 0.171 -4.084) 4.088 5.570 ( 0.000 -0.886 -1.034) 1.362 5.570 ( 0.000 0.886 -1.034) 1.362 5.946 ( 0.000 -1.331 2.319) 2.674 5.946 ( 0.000 1.331 2.319) 2.674 6.195 ( 0.000 -1.336 -1.397) 1.933 6.195 ( 0.000 1.336 -1.397) 1.933 7.743 ( 0.000 -4.293 8.130) 9.194 7.743 ( 0.000 4.293 8.130) 9.194 8.189 ( 0.000 -5.118 -5.347) 7.402 8.189 ( 0.000 5.118 -5.347) 7.402 9.113 ( 0.000 -1.252 3.655) 3.864 9.113 ( 0.000 1.252 3.655) 3.864 9.246 ( 0.000 -2.321 -5.531) 5.999 9.246 ( 0.000 2.321 -5.531) 5.999 9.859 ( 0.000 -2.882 4.918) 5.700 9.859 ( 0.000 2.882 4.918) 5.700 10.080 ( 0.000 -1.532 -5.332) 5.548 10.080 ( 0.000 1.532 -5.332) 5.548 11.571 ( 0.000 -3.511 2.238) 4.163 11.571 ( 0.000 3.511 2.238) 4.163 11.844 ( 0.000 -0.068 2.563) 2.564 11.844 ( 0.000 0.068 2.563) 2.564 12.941 ( 0.000 -0.284 32.667) 32.668 12.941 ( 0.000 0.284 32.667) 32.668 13.373 ( 0.000 -29.319 13.756) 32.386 13.373 ( 0.000 29.319 13.756) 32.386 13.536 ( 0.000 -10.109 -25.499) 27.430 13.536 ( 0.000 10.109 -25.499) 27.430 13.775 ( 0.000 -12.602 -19.723) 23.405 13.775 ( 0.000 12.602 -19.723) 23.405 17.016 ( 0.000 -0.384 0.735) 0.830 17.016 ( 0.000 0.384 0.735) 0.830 17.550 ( 0.000 -0.554 1.290) 1.404 17.550 ( 0.000 0.554 1.290) 1.404 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.390 -2.885 -5.197) 5.957 1.399 ( 0.390 2.885 -5.197) 5.957 1.922 ( -0.121 -0.485 -2.458) 2.508 1.922 ( -0.121 0.485 -2.458) 2.508 2.294 ( -6.138 -2.584 -0.387) 6.671 2.294 ( -6.138 2.584 -0.387) 6.671 2.337 ( 1.364 -3.914 4.038) 5.787 2.337 ( 1.364 3.914 4.038) 5.787 2.729 ( -5.008 -2.894 6.726) 8.871 2.729 ( -5.008 2.894 6.726) 8.871 2.990 ( 2.633 -5.851 -11.150) 12.864 2.990 ( 2.633 5.851 -11.150) 12.864 3.791 ( -11.010 -2.999 4.499) 12.266 3.791 ( -11.010 2.999 4.499) 12.266 3.839 ( -0.558 -7.244 1.494) 7.418 3.839 ( -0.558 7.244 1.494) 7.418 4.101 ( -9.942 -3.863 0.882) 10.703 4.101 ( -9.942 3.863 0.882) 10.703 4.316 ( -1.632 -1.288 -0.987) 2.301 4.316 ( -1.632 1.288 -0.987) 2.301 4.584 ( 6.639 -2.183 7.462) 10.224 4.584 ( 6.639 2.183 7.462) 10.224 4.823 ( -3.942 -4.304 -7.815) 9.754 4.823 ( -3.942 4.304 -7.815) 9.754 5.077 ( 6.956 -2.507 -4.211) 8.510 5.077 ( 6.956 2.507 -4.211) 8.510 5.546 ( -1.928 -2.287 -0.641) 3.059 5.546 ( -1.928 2.287 -0.641) 3.059 6.102 ( 13.088 -2.597 1.587) 13.437 6.102 ( 13.088 2.597 1.587) 13.437 6.308 ( 9.904 -1.717 -1.061) 10.107 6.308 ( 9.904 1.717 -1.061) 10.107 7.727 ( -1.626 -4.085 7.492) 8.687 7.727 ( -1.626 4.085 7.492) 8.687 8.132 ( -5.277 -4.847 -5.125) 8.809 8.132 ( -5.277 4.847 -5.125) 8.809 9.135 ( 2.038 -0.904 3.218) 3.915 9.135 ( 2.038 0.904 3.218) 3.915 9.270 ( 2.202 -2.014 -5.094) 5.904 9.270 ( 2.202 2.014 -5.094) 5.904 9.855 ( -0.311 -3.123 4.175) 5.224 9.855 ( -0.311 3.123 4.175) 5.224 10.085 ( 0.336 -1.549 -4.506) 4.777 10.085 ( 0.336 1.549 -4.506) 4.777 11.581 ( 0.934 -3.322 2.159) 4.071 11.581 ( 0.934 3.322 2.159) 4.071 11.823 ( -1.858 -0.418 2.524) 3.162 11.823 ( -1.858 0.418 2.524) 3.162 12.819 ( -8.119 -21.904 22.933) 32.735 12.819 ( -8.119 21.904 22.933) 32.735 13.281 ( -12.534 -22.275 -19.952) 32.425 13.281 ( -12.534 22.275 -19.952) 32.425 13.638 ( 18.629 -15.521 20.991) 32.072 13.638 ( 18.629 15.521 20.991) 32.072 14.090 ( 20.509 -7.893 -22.687) 31.585 14.090 ( 20.509 7.893 -22.687) 31.585 16.993 ( -1.973 -0.245 0.582) 2.072 16.993 ( -1.973 0.245 0.582) 2.072 17.516 ( -3.237 -0.427 1.105) 3.446 17.516 ( -3.237 0.427 1.105) 3.446 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 5.027 -1.484 -3.125) 6.102 1.452 ( 5.027 1.484 -3.125) 6.102 1.861 ( -6.427 -1.705 -2.486) 7.099 1.861 ( -6.427 1.705 -2.486) 7.099 2.207 ( 0.556 -2.166 -2.706) 3.510 2.207 ( 0.556 2.166 -2.706) 3.510 2.344 ( -1.191 -2.180 2.926) 3.838 2.344 ( -1.191 2.180 2.926) 3.838 2.630 ( -4.758 -6.105 12.956) 15.092 2.630 ( -4.758 6.105 12.956) 15.092 2.985 ( -3.268 -4.960 -15.374) 16.481 2.985 ( -3.268 4.960 -15.374) 16.481 3.476 ( -16.350 -2.656 4.802) 17.247 3.476 ( -16.350 2.656 4.802) 17.247 3.682 ( -17.871 -5.508 -5.947) 19.624 3.682 ( -17.871 5.508 -5.947) 19.624 4.043 ( 7.355 -4.161 1.509) 8.584 4.043 ( 7.355 4.161 1.509) 8.584 4.343 ( 3.816 -2.986 2.377) 5.397 4.343 ( 3.816 2.986 2.377) 5.397 4.666 ( 0.764 -1.690 4.220) 4.610 4.666 ( 0.764 1.690 4.220) 4.610 4.803 ( 1.874 -6.421 -5.244) 8.499 4.803 ( 1.874 6.421 -5.244) 8.499 5.219 ( 6.120 -1.957 -0.798) 6.475 5.219 ( 6.120 1.957 -0.798) 6.475 5.498 ( -2.602 -2.567 0.285) 3.666 5.498 ( -2.602 2.567 0.285) 3.666 6.408 ( 15.091 -2.595 2.058) 15.450 6.408 ( 15.091 2.595 2.058) 15.450 6.557 ( 12.889 -3.916 -0.941) 13.504 6.557 ( 12.889 3.916 -0.941) 13.504 7.675 ( -3.193 -3.507 5.635) 7.365 7.675 ( -3.193 3.507 5.635) 7.365 7.984 ( -8.604 -4.265 -4.803) 10.737 7.984 ( -8.604 4.265 -4.803) 10.737 9.190 ( 3.031 -0.342 2.108) 3.708 9.190 ( 3.031 0.342 2.108) 3.708 9.325 ( 2.542 -1.456 -4.059) 5.006 9.325 ( 2.542 1.456 -4.059) 5.006 9.854 ( 0.527 -3.291 2.846) 4.382 9.854 ( 0.527 3.291 2.846) 4.382 10.088 ( -0.288 -1.659 -2.610) 3.106 10.088 ( -0.288 1.659 -2.610) 3.106 11.608 ( 1.606 -2.975 2.087) 3.974 11.608 ( 1.606 2.975 2.087) 3.974 11.776 ( -2.417 -1.397 2.393) 3.677 11.776 ( -2.417 1.397 2.393) 3.677 12.676 ( -5.005 -30.603 11.868) 33.203 12.676 ( -5.005 30.603 11.868) 33.203 13.041 ( -10.483 -27.459 -14.159) 32.625 13.041 ( -10.483 27.459 -14.159) 32.625 14.087 ( 22.923 -7.190 21.877) 32.493 14.087 ( 22.923 7.190 21.877) 32.493 14.512 ( 18.718 -4.231 -17.873) 26.224 14.512 ( 18.718 4.231 -17.873) 26.224 16.951 ( -1.473 -0.103 -0.013) 1.477 16.951 ( -1.473 0.103 -0.013) 1.477 17.417 ( -6.290 -0.201 0.434) 6.308 17.417 ( -6.290 0.201 0.434) 6.308 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 6.762 -0.650 0.591) 6.819 1.588 ( 6.762 0.650 0.591) 6.819 1.736 ( -3.717 -1.620 -2.924) 4.999 1.736 ( -3.717 1.620 -2.924) 4.999 2.278 ( 2.900 -7.170 1.637) 7.905 2.278 ( 2.900 7.170 1.637) 7.905 2.337 ( 3.462 -5.040 0.401) 6.128 2.337 ( 3.462 5.040 0.401) 6.128 2.526 ( -4.842 -8.261 10.880) 14.493 2.526 ( -4.842 8.261 10.880) 14.493 2.849 ( -10.245 -6.200 -16.335) 20.254 2.849 ( -10.245 6.200 -16.335) 20.254 3.187 ( -9.737 -3.452 1.598) 10.454 3.187 ( -9.737 3.452 1.598) 10.454 3.306 ( -15.445 -4.498 -6.701) 17.426 3.306 ( -15.445 4.498 -6.701) 17.426 4.230 ( 8.944 -3.745 1.834) 9.868 4.230 ( 8.944 3.745 1.834) 9.868 4.421 ( 1.782 -4.787 3.400) 6.136 4.421 ( 1.782 4.787 3.400) 6.136 4.685 ( 2.540 -1.846 -0.826) 3.246 4.685 ( 2.540 1.846 -0.826) 3.246 4.827 ( -0.642 -5.223 -2.739) 5.933 4.827 ( -0.642 5.223 -2.739) 5.933 5.321 ( 3.808 -1.822 1.826) 4.600 5.321 ( 3.808 1.822 1.826) 4.600 5.442 ( -2.747 -2.436 1.540) 3.982 5.442 ( -2.747 2.436 1.540) 3.982 6.692 ( 11.559 -5.214 3.506) 13.156 6.692 ( 11.559 5.214 3.506) 13.156 6.792 ( 8.434 -7.316 0.200) 11.167 6.792 ( 8.434 7.316 0.200) 11.167 7.613 ( -1.904 -2.744 2.167) 3.982 7.613 ( -1.904 2.744 2.167) 3.982 7.795 ( -9.054 -3.495 -4.461) 10.681 7.795 ( -9.054 3.495 -4.461) 10.681 9.255 ( 3.204 -0.346 0.630) 3.284 9.255 ( 3.204 0.346 0.630) 3.284 9.352 ( -0.273 -1.114 -2.651) 2.888 9.352 ( -0.273 1.114 -2.651) 2.888 9.894 ( 3.480 -3.101 1.790) 4.993 9.894 ( 3.480 3.101 1.790) 4.993 10.061 ( -2.532 -2.012 -0.662) 3.301 10.061 ( -2.532 2.012 -0.662) 3.301 11.645 ( 1.854 -2.727 2.161) 3.942 11.645 ( 1.854 2.727 2.161) 3.942 11.728 ( -2.229 -2.112 2.278) 3.824 11.728 ( -2.229 2.112 2.278) 3.824 12.628 ( 0.518 -31.944 3.238) 32.112 12.628 ( 0.518 31.944 3.238) 32.112 12.843 ( -8.538 -29.412 -8.400) 31.757 12.843 ( -8.538 29.412 -8.400) 31.757 14.531 ( 18.592 -3.851 15.249) 24.352 14.531 ( 18.592 3.851 15.249) 24.352 14.804 ( 7.990 -3.033 -7.284) 11.229 14.804 ( 7.990 3.033 -7.284) 11.229 16.960 ( 2.986 -0.278 -1.143) 3.209 16.960 ( 2.986 0.278 -1.143) 3.209 17.260 ( -8.622 -0.127 -0.721) 8.653 17.260 ( -8.622 0.127 -0.721) 8.653 ======================= Grid point 287 (100/100) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -2.521 -2.912 0.403) 3.873 1.687 ( 1.352 -2.711 0.403) 3.056 1.687 ( -1.352 2.711 0.403) 3.056 1.687 ( 2.521 2.912 0.403) 3.873 2.345 ( -4.187 -8.861 8.982) 13.294 2.345 ( 3.370 -8.774 8.982) 13.000 2.345 ( -3.370 8.774 8.982) 13.000 2.345 ( 4.187 8.861 8.982) 13.294 2.591 ( -11.889 -7.865 -10.978) 17.992 2.591 ( 7.875 -6.482 -10.978) 14.985 2.591 ( -7.875 6.482 -10.978) 14.985 2.591 ( 11.889 7.865 -10.978) 17.992 3.114 ( -2.703 -3.911 -4.003) 6.215 3.114 ( 2.362 -3.855 -4.003) 6.039 3.114 ( -2.362 3.855 -4.003) 6.039 3.114 ( 2.703 3.911 -4.003) 6.215 4.381 ( -2.997 -10.873 2.695) 11.596 4.381 ( 1.008 -10.781 2.695) 11.158 4.381 ( -1.008 10.781 2.695) 11.158 4.381 ( 2.997 10.873 2.695) 11.596 4.770 ( -4.068 -4.484 -2.240) 6.455 4.770 ( 2.468 -4.183 -2.240) 5.348 4.770 ( -2.468 4.183 -2.240) 5.348 4.770 ( 4.068 4.484 -2.240) 6.455 5.386 ( -2.700 -1.894 2.414) 4.088 5.386 ( 2.597 -1.858 2.414) 4.003 5.386 ( -2.597 1.858 2.414) 4.003 5.386 ( 2.700 1.894 2.414) 4.088 6.854 ( -1.974 -13.729 3.137) 14.220 6.854 ( 1.546 -13.715 3.137) 14.154 6.854 ( -1.546 13.715 3.137) 14.154 6.854 ( 1.974 13.729 3.137) 14.220 7.639 ( -4.670 -3.286 -2.510) 6.237 7.639 ( 0.981 -2.363 -2.510) 3.584 7.639 ( -0.981 2.363 -2.510) 3.584 7.639 ( 4.670 3.286 -2.510) 6.237 9.318 ( -2.631 -0.781 -1.007) 2.924 9.318 ( -2.553 0.712 -1.007) 2.835 9.318 ( 2.553 -0.712 -1.007) 2.835 9.318 ( 2.631 0.781 -1.007) 2.924 9.984 ( -4.454 -2.784 0.769) 5.308 9.984 ( 1.317 -1.796 0.769) 2.356 9.984 ( -1.317 1.796 0.769) 2.356 9.984 ( 4.454 2.784 0.769) 5.308 11.684 ( -1.972 -2.496 2.236) 3.888 11.684 ( 1.938 -2.490 2.236) 3.867 11.684 ( -1.938 2.490 2.236) 3.867 11.684 ( 1.972 2.496 2.236) 3.888 12.694 ( -3.894 -45.785 -3.115) 46.055 12.694 ( 3.525 -45.777 -3.115) 46.018 12.694 ( -3.525 45.777 -3.115) 46.018 12.694 ( 3.894 45.785 -3.115) 46.055 14.811 ( -7.062 -3.217 4.919) 9.188 14.811 ( -2.966 -0.280 4.919) 5.750 14.811 ( 2.966 0.280 4.919) 5.750 14.811 ( 7.062 3.217 4.919) 9.188 17.079 ( -7.922 -0.288 -1.631) 8.094 17.079 ( -7.906 0.129 -1.631) 8.073 17.079 ( 7.906 -0.129 -1.631) 8.073 17.079 ( 7.922 0.288 -1.631) 8.094 =================== 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 3/25920 10.0 1164.131 1006.666 1109.714 0.000 0.000 -0.000 3/25920 20.0 120.739 122.598 110.130 0.000 0.000 -0.000 3/25920 30.0 42.160 43.892 40.199 0.000 0.000 -0.000 3/25920 40.0 22.633 23.771 22.155 0.000 0.000 -0.000 3/25920 50.0 15.051 15.824 14.904 0.000 0.000 -0.000 3/25920 60.0 11.245 11.802 11.185 0.000 0.000 -0.000 3/25920 70.0 9.003 9.425 8.966 0.000 0.000 -0.000 3/25920 80.0 7.535 7.868 7.504 0.000 0.000 -0.000 3/25920 90.0 6.502 6.774 6.473 0.000 0.000 -0.000 3/25920 100.0 5.735 5.965 5.709 0.000 0.000 -0.000 3/25920 110.0 5.144 5.342 5.120 0.000 0.000 -0.000 3/25920 120.0 4.673 4.847 4.651 0.000 0.000 -0.000 3/25920 130.0 4.288 4.444 4.269 0.000 0.000 -0.000 3/25920 140.0 3.967 4.109 3.951 0.000 0.000 -0.000 3/25920 150.0 3.695 3.825 3.681 0.000 0.000 -0.000 3/25920 160.0 3.461 3.581 3.449 0.000 0.000 -0.000 3/25920 170.0 3.256 3.369 3.246 0.000 0.000 -0.000 3/25920 180.0 3.077 3.183 3.068 0.000 0.000 -0.000 3/25920 190.0 2.917 3.017 2.909 0.000 0.000 -0.000 3/25920 200.0 2.774 2.868 2.767 0.000 0.000 -0.000 3/25920 210.0 2.644 2.735 2.639 0.000 0.000 -0.000 3/25920 220.0 2.527 2.613 2.522 0.000 0.000 -0.000 3/25920 230.0 2.420 2.503 2.416 0.000 0.000 -0.000 3/25920 240.0 2.322 2.402 2.319 0.000 0.000 -0.000 3/25920 250.0 2.232 2.308 2.229 0.000 0.000 -0.000 3/25920 260.0 2.149 2.222 2.146 0.000 0.000 -0.000 3/25920 270.0 2.072 2.142 2.069 0.000 0.000 -0.000 3/25920 280.0 2.000 2.068 1.997 0.000 0.000 -0.000 3/25920 290.0 1.933 1.999 1.931 0.000 0.000 -0.000 3/25920 300.0 1.871 1.934 1.868 0.000 0.000 -0.000 3/25920 310.0 1.812 1.874 1.810 0.000 0.000 -0.000 3/25920 320.0 1.757 1.817 1.755 0.000 0.000 -0.000 3/25920 330.0 1.705 1.764 1.703 0.000 0.000 -0.000 3/25920 340.0 1.656 1.713 1.655 0.000 0.000 -0.000 3/25920 350.0 1.610 1.666 1.609 0.000 0.000 -0.000 3/25920 360.0 1.567 1.620 1.565 0.000 0.000 -0.000 3/25920 370.0 1.526 1.578 1.524 0.000 0.000 -0.000 3/25920 380.0 1.486 1.537 1.485 0.000 0.000 -0.000 3/25920 390.0 1.449 1.499 1.448 0.000 0.000 -0.000 3/25920 400.0 1.414 1.462 1.412 0.000 0.000 -0.000 3/25920 410.0 1.380 1.427 1.379 0.000 0.000 -0.000 3/25920 420.0 1.348 1.394 1.347 0.000 0.000 -0.000 3/25920 430.0 1.317 1.362 1.316 0.000 0.000 -0.000 3/25920 440.0 1.288 1.332 1.287 0.000 0.000 -0.000 3/25920 450.0 1.260 1.303 1.259 0.000 0.000 -0.000 3/25920 460.0 1.233 1.275 1.232 0.000 0.000 -0.000 3/25920 470.0 1.207 1.249 1.206 0.000 0.000 -0.000 3/25920 480.0 1.182 1.223 1.181 0.000 0.000 -0.000 3/25920 490.0 1.159 1.199 1.158 0.000 0.000 -0.000 3/25920 500.0 1.136 1.175 1.135 0.000 0.000 -0.000 3/25920 510.0 1.114 1.153 1.113 0.000 0.000 -0.000 3/25920 520.0 1.093 1.131 1.092 0.000 0.000 -0.000 3/25920 530.0 1.073 1.110 1.072 0.000 0.000 -0.000 3/25920 540.0 1.053 1.090 1.052 0.000 0.000 -0.000 3/25920 550.0 1.034 1.070 1.033 0.000 0.000 -0.000 3/25920 560.0 1.016 1.051 1.015 0.000 0.000 -0.000 3/25920 570.0 0.998 1.033 0.998 0.000 0.000 -0.000 3/25920 580.0 0.981 1.015 0.981 0.000 0.000 -0.000 3/25920 590.0 0.965 0.998 0.964 0.000 0.000 -0.000 3/25920 600.0 0.949 0.982 0.948 0.000 0.000 -0.000 3/25920 610.0 0.934 0.966 0.933 0.000 0.000 -0.000 3/25920 620.0 0.919 0.951 0.918 0.000 0.000 -0.000 3/25920 630.0 0.905 0.936 0.904 0.000 0.000 -0.000 3/25920 640.0 0.891 0.921 0.890 0.000 0.000 -0.000 3/25920 650.0 0.877 0.907 0.876 0.000 0.000 -0.000 3/25920 660.0 0.864 0.894 0.863 0.000 0.000 -0.000 3/25920 670.0 0.851 0.881 0.850 0.000 0.000 -0.000 3/25920 680.0 0.839 0.868 0.838 0.000 0.000 -0.000 3/25920 690.0 0.827 0.855 0.826 0.000 0.000 -0.000 3/25920 700.0 0.815 0.843 0.814 0.000 0.000 -0.000 3/25920 710.0 0.804 0.831 0.803 0.000 0.000 -0.000 3/25920 720.0 0.793 0.820 0.792 0.000 0.000 -0.000 3/25920 730.0 0.782 0.809 0.781 0.000 0.000 -0.000 3/25920 740.0 0.771 0.798 0.771 0.000 0.000 -0.000 3/25920 750.0 0.761 0.788 0.760 0.000 0.000 -0.000 3/25920 760.0 0.751 0.777 0.751 0.000 0.000 -0.000 3/25920 770.0 0.742 0.767 0.741 0.000 0.000 -0.000 3/25920 780.0 0.732 0.758 0.731 0.000 0.000 -0.000 3/25920 790.0 0.723 0.748 0.722 0.000 0.000 -0.000 3/25920 800.0 0.714 0.739 0.713 0.000 0.000 -0.000 3/25920 810.0 0.705 0.730 0.705 0.000 0.000 -0.000 3/25920 820.0 0.697 0.721 0.696 0.000 0.000 -0.000 3/25920 830.0 0.688 0.712 0.688 0.000 0.000 -0.000 3/25920 840.0 0.680 0.704 0.680 0.000 0.000 -0.000 3/25920 850.0 0.672 0.696 0.672 0.000 0.000 -0.000 3/25920 860.0 0.664 0.688 0.664 0.000 0.000 -0.000 3/25920 870.0 0.657 0.680 0.656 0.000 0.000 -0.000 3/25920 880.0 0.649 0.672 0.649 0.000 0.000 -0.000 3/25920 890.0 0.642 0.665 0.642 0.000 0.000 -0.000 3/25920 900.0 0.635 0.657 0.635 0.000 0.000 -0.000 3/25920 910.0 0.628 0.650 0.628 0.000 0.000 -0.000 3/25920 920.0 0.621 0.643 0.621 0.000 0.000 -0.000 3/25920 930.0 0.615 0.636 0.614 0.000 0.000 -0.000 3/25920 940.0 0.608 0.629 0.608 0.000 0.000 -0.000 3/25920 950.0 0.602 0.623 0.601 0.000 0.000 -0.000 3/25920 960.0 0.596 0.616 0.595 0.000 0.000 -0.000 3/25920 970.0 0.590 0.610 0.589 0.000 0.000 -0.000 3/25920 980.0 0.584 0.604 0.583 0.000 0.000 -0.000 3/25920 990.0 0.578 0.598 0.577 0.000 0.000 -0.000 3/25920 1000.0 0.572 0.592 0.571 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m869.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:56:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|