----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:23:34]------------------------- 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: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.615057138081256 0.000000000000000 0.000000000000000 b 0.000000000000000 12.507357470000001 0.000000000000000 c -5.577531216226166 0.000000000000000 7.691726823946168 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 *3 Rb 0.72528128270609 0.82036177130970 0.98060332348998 85.468 4 Rb 0.27471871729391 0.32036177130970 0.51939667651002 85.468 5 Rb 0.27471871729391 0.17963822869030 0.01939667651002 85.468 6 Rb 0.72528128270609 0.67963822869030 0.48060332348998 85.468 *7 Se 0.23688759725978 0.81803802850202 0.45011295715156 78.960 8 Se 0.76311240274022 0.31803802850202 0.04988704284844 78.960 9 Se 0.76311240274022 0.18196197149798 0.54988704284844 78.960 10 Se 0.23688759725978 0.68196197149798 0.95011295715156 78.960 *11 Se 0.03846195995061 0.07463586289566 0.23535704568044 78.960 12 Se 0.96153804004939 0.57463586289566 0.26464295431955 78.960 13 Se 0.96153804004939 0.92536413710434 0.76464295431955 78.960 14 Se 0.03846195995061 0.42536413710434 0.73535704568045 78.960 *15 Se 0.52633737268336 0.57355307575920 0.74441012519711 78.960 16 Se 0.47366262731664 0.07355307575920 0.75558987480289 78.960 17 Se 0.47366262731664 0.42644692424080 0.25558987480289 78.960 18 Se 0.52633737268336 0.92644692424080 0.24441012519711 78.960 *19 P 0.34736460165357 0.95934911416558 0.37392962772042 30.974 20 P 0.65263539834643 0.45934911416558 0.12607037227958 30.974 21 P 0.65263539834643 0.04065088583442 0.62607037227958 30.974 22 P 0.34736460165357 0.54065088583442 0.87392962772042 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.615057138081256 0.000000000000000 0.000000000000000 b 0.000000000000000 12.507357470000001 0.000000000000000 c -5.577531216226166 0.000000000000000 7.691726823946168 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 2 *3 Rb 0.72528128270609 0.82036177130970 0.98060332348998 85.468 > 3 4 Rb 0.27471871729391 0.32036177130970 0.51939667651002 85.468 > 4 5 Rb 0.27471871729391 0.17963822869030 0.01939667651002 85.468 > 5 6 Rb 0.72528128270609 0.67963822869030 0.48060332348998 85.468 > 6 *7 Se 0.23688759725978 0.81803802850202 0.45011295715156 78.960 > 7 8 Se 0.76311240274022 0.31803802850202 0.04988704284844 78.960 > 8 9 Se 0.76311240274022 0.18196197149798 0.54988704284844 78.960 > 9 10 Se 0.23688759725978 0.68196197149798 0.95011295715156 78.960 > 10 *11 Se 0.03846195995061 0.07463586289566 0.23535704568044 78.960 > 11 12 Se 0.96153804004939 0.57463586289566 0.26464295431955 78.960 > 12 13 Se 0.96153804004939 0.92536413710434 0.76464295431955 78.960 > 13 14 Se 0.03846195995061 0.42536413710434 0.73535704568045 78.960 > 14 *15 Se 0.52633737268336 0.57355307575920 0.74441012519711 78.960 > 15 16 Se 0.47366262731664 0.07355307575920 0.75558987480289 78.960 > 16 17 Se 0.47366262731664 0.42644692424080 0.25558987480289 78.960 > 17 18 Se 0.52633737268336 0.92644692424080 0.24441012519711 78.960 > 18 *19 P 0.34736460165357 0.95934911416558 0.37392962772042 30.974 > 19 20 P 0.65263539834643 0.45934911416558 0.12607037227958 30.974 > 20 21 P 0.65263539834643 0.04065088583442 0.62607037227958 30.974 > 21 22 P 0.34736460165357 0.54065088583442 0.87392962772042 30.974 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.230114276162512 0.000000000000000 0.000000000000000 b 0.000000000000000 12.507357470000001 0.000000000000000 c -11.155062432452333 0.000000000000000 15.383453647892336 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 1 2 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 1 4 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 1 5 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 2 6 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 2 7 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 2 8 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 2 *9 Rb 0.36264064135304 0.82036177130970 0.49030166174499 85.468 > 3 10 Rb 0.86264064135304 0.82036177130970 0.49030166174499 85.468 > 3 11 Rb 0.36264064135304 0.82036177130970 0.99030166174499 85.468 > 3 12 Rb 0.86264064135304 0.82036177130970 0.99030166174499 85.468 > 3 13 Rb 0.13735935864696 0.32036177130970 0.25969833825501 85.468 > 4 14 Rb 0.63735935864696 0.32036177130970 0.25969833825501 85.468 > 4 15 Rb 0.13735935864696 0.32036177130970 0.75969833825501 85.468 > 4 16 Rb 0.63735935864696 0.32036177130970 0.75969833825501 85.468 > 4 17 Rb 0.13735935864696 0.17963822869030 0.00969833825501 85.468 > 5 18 Rb 0.63735935864696 0.17963822869030 0.00969833825501 85.468 > 5 19 Rb 0.13735935864696 0.17963822869030 0.50969833825501 85.468 > 5 20 Rb 0.63735935864696 0.17963822869030 0.50969833825501 85.468 > 5 21 Rb 0.36264064135304 0.67963822869030 0.24030166174499 85.468 > 6 22 Rb 0.86264064135304 0.67963822869030 0.24030166174499 85.468 > 6 23 Rb 0.36264064135304 0.67963822869030 0.74030166174499 85.468 > 6 24 Rb 0.86264064135304 0.67963822869030 0.74030166174499 85.468 > 6 *25 Se 0.11844379862989 0.81803802850202 0.22505647857578 78.960 > 7 26 Se 0.61844379862989 0.81803802850202 0.22505647857578 78.960 > 7 27 Se 0.11844379862989 0.81803802850202 0.72505647857578 78.960 > 7 28 Se 0.61844379862989 0.81803802850202 0.72505647857578 78.960 > 7 29 Se 0.38155620137011 0.31803802850202 0.02494352142422 78.960 > 8 30 Se 0.88155620137011 0.31803802850202 0.02494352142422 78.960 > 8 31 Se 0.38155620137011 0.31803802850202 0.52494352142422 78.960 > 8 32 Se 0.88155620137011 0.31803802850202 0.52494352142422 78.960 > 8 33 Se 0.38155620137011 0.18196197149798 0.27494352142422 78.960 > 9 34 Se 0.88155620137011 0.18196197149798 0.27494352142422 78.960 > 9 35 Se 0.38155620137011 0.18196197149798 0.77494352142422 78.960 > 9 36 Se 0.88155620137011 0.18196197149798 0.77494352142422 78.960 > 9 37 Se 0.11844379862989 0.68196197149798 0.47505647857578 78.960 > 10 38 Se 0.61844379862989 0.68196197149798 0.47505647857578 78.960 > 10 39 Se 0.11844379862989 0.68196197149798 0.97505647857578 78.960 > 10 40 Se 0.61844379862989 0.68196197149798 0.97505647857578 78.960 > 10 *41 Se 0.01923097997530 0.07463586289566 0.11767852284022 78.960 > 11 42 Se 0.51923097997530 0.07463586289566 0.11767852284022 78.960 > 11 43 Se 0.01923097997530 0.07463586289566 0.61767852284022 78.960 > 11 44 Se 0.51923097997530 0.07463586289566 0.61767852284022 78.960 > 11 45 Se 0.48076902002470 0.57463586289566 0.13232147715978 78.960 > 12 46 Se 0.98076902002470 0.57463586289566 0.13232147715978 78.960 > 12 47 Se 0.48076902002470 0.57463586289566 0.63232147715978 78.960 > 12 48 Se 0.98076902002470 0.57463586289566 0.63232147715978 78.960 > 12 49 Se 0.48076902002470 0.92536413710434 0.38232147715978 78.960 > 13 50 Se 0.98076902002470 0.92536413710434 0.38232147715978 78.960 > 13 51 Se 0.48076902002470 0.92536413710434 0.88232147715978 78.960 > 13 52 Se 0.98076902002470 0.92536413710434 0.88232147715978 78.960 > 13 53 Se 0.01923097997530 0.42536413710434 0.36767852284022 78.960 > 14 54 Se 0.51923097997530 0.42536413710434 0.36767852284022 78.960 > 14 55 Se 0.01923097997530 0.42536413710434 0.86767852284022 78.960 > 14 56 Se 0.51923097997530 0.42536413710434 0.86767852284022 78.960 > 14 *57 Se 0.26316868634168 0.57355307575920 0.37220506259856 78.960 > 15 58 Se 0.76316868634168 0.57355307575920 0.37220506259856 78.960 > 15 59 Se 0.26316868634168 0.57355307575920 0.87220506259856 78.960 > 15 60 Se 0.76316868634168 0.57355307575920 0.87220506259856 78.960 > 15 61 Se 0.23683131365832 0.07355307575920 0.37779493740144 78.960 > 16 62 Se 0.73683131365832 0.07355307575920 0.37779493740144 78.960 > 16 63 Se 0.23683131365832 0.07355307575920 0.87779493740144 78.960 > 16 64 Se 0.73683131365832 0.07355307575920 0.87779493740144 78.960 > 16 65 Se 0.23683131365832 0.42644692424080 0.12779493740144 78.960 > 17 66 Se 0.73683131365832 0.42644692424080 0.12779493740144 78.960 > 17 67 Se 0.23683131365832 0.42644692424080 0.62779493740144 78.960 > 17 68 Se 0.73683131365832 0.42644692424080 0.62779493740144 78.960 > 17 69 Se 0.26316868634168 0.92644692424080 0.12220506259856 78.960 > 18 70 Se 0.76316868634168 0.92644692424080 0.12220506259856 78.960 > 18 71 Se 0.26316868634168 0.92644692424080 0.62220506259856 78.960 > 18 72 Se 0.76316868634168 0.92644692424080 0.62220506259856 78.960 > 18 *73 P 0.17368230082679 0.95934911416558 0.18696481386021 30.974 > 19 74 P 0.67368230082679 0.95934911416558 0.18696481386021 30.974 > 19 75 P 0.17368230082679 0.95934911416558 0.68696481386021 30.974 > 19 76 P 0.67368230082679 0.95934911416558 0.68696481386021 30.974 > 19 77 P 0.32631769917322 0.45934911416558 0.06303518613979 30.974 > 20 78 P 0.82631769917322 0.45934911416558 0.06303518613979 30.974 > 20 79 P 0.32631769917322 0.45934911416558 0.56303518613979 30.974 > 20 80 P 0.82631769917322 0.45934911416558 0.56303518613979 30.974 > 20 81 P 0.32631769917322 0.04065088583442 0.31303518613979 30.974 > 21 82 P 0.82631769917322 0.04065088583442 0.31303518613979 30.974 > 21 83 P 0.32631769917322 0.04065088583442 0.81303518613979 30.974 > 21 84 P 0.82631769917322 0.04065088583442 0.81303518613979 30.974 > 21 85 P 0.17368230082679 0.54065088583442 0.43696481386021 30.974 > 22 86 P 0.67368230082679 0.54065088583442 0.43696481386021 30.974 > 22 87 P 0.17368230082679 0.54065088583442 0.93696481386021 30.974 > 22 88 P 0.67368230082679 0.54065088583442 0.93696481386021 30.974 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4136336 0.0000000 0.1684102 0.0000000 5.8110828 0.0000000 0.1684112 0.0000000 5.1899853 -------------------------- Born effective charges -------------------------- 1 Cd 3.5866887 0.1198497 0.1161510 -0.0748029 1.2939404 0.1323955 -0.1737761 0.2983531 1.6949367 2 Cd 3.5866887 -0.1198497 0.1161510 0.0748029 1.2939404 -0.1323955 -0.1737761 -0.2983531 1.6949367 3 Rb 1.3088773 0.1549012 -0.0614659 0.1035731 1.4875878 0.0122920 -0.0793183 -0.0117806 1.3817666 4 Rb 1.3088773 -0.1549012 -0.0614659 -0.1035731 1.4875878 -0.0122920 -0.0793183 0.0117806 1.3817666 5 Rb 1.3088773 0.1549012 -0.0614659 0.1035731 1.4875878 0.0122920 -0.0793183 -0.0117806 1.3817666 6 Rb 1.3088773 -0.1549012 -0.0614659 -0.1035731 1.4875878 -0.0122920 -0.0793183 0.0117806 1.3817666 7 Se -1.9707302 -0.4439507 0.1894162 -0.3576127 -1.9579825 0.3104942 0.1103899 -0.1009883 -0.6472873 8 Se -1.9707302 0.4439507 0.1894162 0.3576127 -1.9579825 -0.3104942 0.1103899 0.1009883 -0.6472873 9 Se -1.9707302 -0.4439507 0.1894162 -0.3576127 -1.9579825 0.3104942 0.1103899 -0.1009883 -0.6472873 10 Se -1.9707302 0.4439507 0.1894162 0.3576127 -1.9579825 -0.3104942 0.1103899 0.1009883 -0.6472873 11 Se -1.9572490 0.1472747 -0.1754441 0.1505621 -0.7590241 0.3107337 -0.1565544 0.3629601 -1.2334990 12 Se -1.9572490 -0.1472747 -0.1754441 -0.1505621 -0.7590241 -0.3107337 -0.1565544 -0.3629601 -1.2334990 13 Se -1.9572490 0.1472747 -0.1754441 0.1505621 -0.7590241 0.3107337 -0.1565544 0.3629601 -1.2334990 14 Se -1.9572490 -0.1472747 -0.1754441 -0.1505621 -0.7590241 -0.3107337 -0.1565544 -0.3629601 -1.2334990 15 Se -2.2620816 -0.2199706 0.4175058 -0.2752338 -0.7476477 0.2478500 0.3690815 0.2852572 -1.2421190 16 Se -2.2620816 0.2199706 0.4175058 0.2752338 -0.7476477 -0.2478500 0.3690815 -0.2852572 -1.2421190 17 Se -2.2620816 -0.2199706 0.4175058 -0.2752338 -0.7476477 0.2478500 0.3690815 0.2852572 -1.2421190 18 Se -2.2620816 0.2199706 0.4175058 0.2752338 -0.7476477 -0.2478500 0.3690815 -0.2852572 -1.2421190 19 P 3.0878391 -0.0566699 -0.4280875 -0.0486630 1.3300964 -0.5196184 -0.1567106 -0.2395083 0.8936704 20 P 3.0878391 0.0566699 -0.4280875 0.0486630 1.3300964 0.5196184 -0.1567106 0.2395083 0.8936704 21 P 3.0878391 -0.0566699 -0.4280875 -0.0486630 1.3300964 -0.5196184 -0.1567106 -0.2395083 0.8936704 22 P 3.0878391 0.0566699 -0.4280875 0.0486630 1.3300964 0.5196184 -0.1567106 0.2395083 0.8936704 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2233), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (486, 475), data: True |-- (486, 474), data: True |-- (486, 474), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 1.039 Solver_block: 200 / 720 - Time: 0.585 Solver_block: 300 / 720 - Time: 1.031 Solver_block: 400 / 720 - Time: 0.512 Solver_block: 500 / 720 - Time: 0.675 Solver_block: 600 / 720 - Time: 0.694 Solver_block: 700 / 720 - Time: 0.594 Solver_block: 720 / 720 - Time: 0.248 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.729 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2233), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (486, 475), data: True |-- (486, 474), data: True |-- (486, 474), 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 10:24:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:24:23]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.615057138081256 0.000000000000000 0.000000000000000 b 0.000000000000000 12.507357470000001 0.000000000000000 c -5.577531216226166 0.000000000000000 7.691726823946168 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 3 Rb 0.72528128270609 0.82036177130970 0.98060332348998 85.468 4 Rb 0.27471871729391 0.32036177130970 0.51939667651002 85.468 5 Rb 0.27471871729391 0.17963822869030 0.01939667651002 85.468 6 Rb 0.72528128270609 0.67963822869030 0.48060332348998 85.468 7 Se 0.23688759725978 0.81803802850202 0.45011295715156 78.960 8 Se 0.76311240274022 0.31803802850202 0.04988704284844 78.960 9 Se 0.76311240274022 0.18196197149798 0.54988704284844 78.960 10 Se 0.23688759725978 0.68196197149798 0.95011295715156 78.960 11 Se 0.03846195995061 0.07463586289566 0.23535704568044 78.960 12 Se 0.96153804004939 0.57463586289566 0.26464295431955 78.960 13 Se 0.96153804004939 0.92536413710434 0.76464295431955 78.960 14 Se 0.03846195995061 0.42536413710434 0.73535704568045 78.960 15 Se 0.52633737268336 0.57355307575920 0.74441012519711 78.960 16 Se 0.47366262731664 0.07355307575920 0.75558987480289 78.960 17 Se 0.47366262731664 0.42644692424080 0.25558987480289 78.960 18 Se 0.52633737268336 0.92644692424080 0.24441012519711 78.960 19 P 0.34736460165357 0.95934911416558 0.37392962772042 30.974 20 P 0.65263539834643 0.45934911416558 0.12607037227958 30.974 21 P 0.65263539834643 0.04065088583442 0.62607037227958 30.974 22 P 0.34736460165357 0.54065088583442 0.87392962772042 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.230114276162512 0.000000000000000 0.000000000000000 b 0.000000000000000 12.507357470000001 0.000000000000000 c -11.155062432452333 0.000000000000000 15.383453647892336 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 1 2 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 1 4 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 1 5 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 5 6 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 5 7 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 5 8 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 5 9 Rb 0.36264064135304 0.82036177130970 0.49030166174499 85.468 > 9 10 Rb 0.86264064135304 0.82036177130970 0.49030166174499 85.468 > 9 11 Rb 0.36264064135304 0.82036177130970 0.99030166174499 85.468 > 9 12 Rb 0.86264064135304 0.82036177130970 0.99030166174499 85.468 > 9 13 Rb 0.13735935864696 0.32036177130970 0.25969833825501 85.468 > 13 14 Rb 0.63735935864696 0.32036177130970 0.25969833825501 85.468 > 13 15 Rb 0.13735935864696 0.32036177130970 0.75969833825501 85.468 > 13 16 Rb 0.63735935864696 0.32036177130970 0.75969833825501 85.468 > 13 17 Rb 0.13735935864696 0.17963822869030 0.00969833825501 85.468 > 17 18 Rb 0.63735935864696 0.17963822869030 0.00969833825501 85.468 > 17 19 Rb 0.13735935864696 0.17963822869030 0.50969833825501 85.468 > 17 20 Rb 0.63735935864696 0.17963822869030 0.50969833825501 85.468 > 17 21 Rb 0.36264064135304 0.67963822869030 0.24030166174499 85.468 > 21 22 Rb 0.86264064135304 0.67963822869030 0.24030166174499 85.468 > 21 23 Rb 0.36264064135304 0.67963822869030 0.74030166174499 85.468 > 21 24 Rb 0.86264064135304 0.67963822869030 0.74030166174499 85.468 > 21 25 Se 0.11844379862989 0.81803802850202 0.22505647857578 78.960 > 25 26 Se 0.61844379862989 0.81803802850202 0.22505647857578 78.960 > 25 27 Se 0.11844379862989 0.81803802850202 0.72505647857578 78.960 > 25 28 Se 0.61844379862989 0.81803802850202 0.72505647857578 78.960 > 25 29 Se 0.38155620137011 0.31803802850202 0.02494352142422 78.960 > 29 30 Se 0.88155620137011 0.31803802850202 0.02494352142422 78.960 > 29 31 Se 0.38155620137011 0.31803802850202 0.52494352142422 78.960 > 29 32 Se 0.88155620137011 0.31803802850202 0.52494352142422 78.960 > 29 33 Se 0.38155620137011 0.18196197149798 0.27494352142422 78.960 > 33 34 Se 0.88155620137011 0.18196197149798 0.27494352142422 78.960 > 33 35 Se 0.38155620137011 0.18196197149798 0.77494352142422 78.960 > 33 36 Se 0.88155620137011 0.18196197149798 0.77494352142422 78.960 > 33 37 Se 0.11844379862989 0.68196197149798 0.47505647857578 78.960 > 37 38 Se 0.61844379862989 0.68196197149798 0.47505647857578 78.960 > 37 39 Se 0.11844379862989 0.68196197149798 0.97505647857578 78.960 > 37 40 Se 0.61844379862989 0.68196197149798 0.97505647857578 78.960 > 37 41 Se 0.01923097997530 0.07463586289566 0.11767852284022 78.960 > 41 42 Se 0.51923097997530 0.07463586289566 0.11767852284022 78.960 > 41 43 Se 0.01923097997530 0.07463586289566 0.61767852284022 78.960 > 41 44 Se 0.51923097997530 0.07463586289566 0.61767852284022 78.960 > 41 45 Se 0.48076902002470 0.57463586289566 0.13232147715978 78.960 > 45 46 Se 0.98076902002470 0.57463586289566 0.13232147715978 78.960 > 45 47 Se 0.48076902002470 0.57463586289566 0.63232147715978 78.960 > 45 48 Se 0.98076902002470 0.57463586289566 0.63232147715978 78.960 > 45 49 Se 0.48076902002470 0.92536413710434 0.38232147715978 78.960 > 49 50 Se 0.98076902002470 0.92536413710434 0.38232147715978 78.960 > 49 51 Se 0.48076902002470 0.92536413710434 0.88232147715978 78.960 > 49 52 Se 0.98076902002470 0.92536413710434 0.88232147715978 78.960 > 49 53 Se 0.01923097997530 0.42536413710434 0.36767852284022 78.960 > 53 54 Se 0.51923097997530 0.42536413710434 0.36767852284022 78.960 > 53 55 Se 0.01923097997530 0.42536413710434 0.86767852284022 78.960 > 53 56 Se 0.51923097997530 0.42536413710434 0.86767852284022 78.960 > 53 57 Se 0.26316868634168 0.57355307575920 0.37220506259856 78.960 > 57 58 Se 0.76316868634168 0.57355307575920 0.37220506259856 78.960 > 57 59 Se 0.26316868634168 0.57355307575920 0.87220506259856 78.960 > 57 60 Se 0.76316868634168 0.57355307575920 0.87220506259856 78.960 > 57 61 Se 0.23683131365832 0.07355307575920 0.37779493740144 78.960 > 61 62 Se 0.73683131365832 0.07355307575920 0.37779493740144 78.960 > 61 63 Se 0.23683131365832 0.07355307575920 0.87779493740144 78.960 > 61 64 Se 0.73683131365832 0.07355307575920 0.87779493740144 78.960 > 61 65 Se 0.23683131365832 0.42644692424080 0.12779493740144 78.960 > 65 66 Se 0.73683131365832 0.42644692424080 0.12779493740144 78.960 > 65 67 Se 0.23683131365832 0.42644692424080 0.62779493740144 78.960 > 65 68 Se 0.73683131365832 0.42644692424080 0.62779493740144 78.960 > 65 69 Se 0.26316868634168 0.92644692424080 0.12220506259856 78.960 > 69 70 Se 0.76316868634168 0.92644692424080 0.12220506259856 78.960 > 69 71 Se 0.26316868634168 0.92644692424080 0.62220506259856 78.960 > 69 72 Se 0.76316868634168 0.92644692424080 0.62220506259856 78.960 > 69 73 P 0.17368230082679 0.95934911416558 0.18696481386021 30.974 > 73 74 P 0.67368230082679 0.95934911416558 0.18696481386021 30.974 > 73 75 P 0.17368230082679 0.95934911416558 0.68696481386021 30.974 > 73 76 P 0.67368230082679 0.95934911416558 0.68696481386021 30.974 > 73 77 P 0.32631769917322 0.45934911416558 0.06303518613979 30.974 > 77 78 P 0.82631769917322 0.45934911416558 0.06303518613979 30.974 > 77 79 P 0.32631769917322 0.45934911416558 0.56303518613979 30.974 > 77 80 P 0.82631769917322 0.45934911416558 0.56303518613979 30.974 > 77 81 P 0.32631769917322 0.04065088583442 0.31303518613979 30.974 > 81 82 P 0.82631769917322 0.04065088583442 0.31303518613979 30.974 > 81 83 P 0.32631769917322 0.04065088583442 0.81303518613979 30.974 > 81 84 P 0.82631769917322 0.04065088583442 0.81303518613979 30.974 > 81 85 P 0.17368230082679 0.54065088583442 0.43696481386021 30.974 > 85 86 P 0.67368230082679 0.54065088583442 0.43696481386021 30.974 > 85 87 P 0.17368230082679 0.54065088583442 0.93696481386021 30.974 > 85 88 P 0.67368230082679 0.54065088583442 0.93696481386021 30.974 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4136336 0.0000000 0.1684102 0.0000000 5.8110828 0.0000000 0.1684112 0.0000000 5.1899853 -------------------------- Born effective charges -------------------------- 1 Cd 3.5866887 0.1198497 0.1161510 -0.0748029 1.2939404 0.1323955 -0.1737761 0.2983531 1.6949367 2 Cd 3.5866887 -0.1198497 0.1161510 0.0748029 1.2939404 -0.1323955 -0.1737761 -0.2983531 1.6949367 3 Rb 1.3088773 0.1549012 -0.0614659 0.1035731 1.4875878 0.0122920 -0.0793183 -0.0117806 1.3817666 4 Rb 1.3088773 -0.1549012 -0.0614659 -0.1035731 1.4875878 -0.0122920 -0.0793183 0.0117806 1.3817666 5 Rb 1.3088773 0.1549012 -0.0614659 0.1035731 1.4875878 0.0122920 -0.0793183 -0.0117806 1.3817666 6 Rb 1.3088773 -0.1549012 -0.0614659 -0.1035731 1.4875878 -0.0122920 -0.0793183 0.0117806 1.3817666 7 Se -1.9707302 -0.4439507 0.1894162 -0.3576127 -1.9579825 0.3104942 0.1103899 -0.1009883 -0.6472873 8 Se -1.9707302 0.4439507 0.1894162 0.3576127 -1.9579825 -0.3104942 0.1103899 0.1009883 -0.6472873 9 Se -1.9707302 -0.4439507 0.1894162 -0.3576127 -1.9579825 0.3104942 0.1103899 -0.1009883 -0.6472873 10 Se -1.9707302 0.4439507 0.1894162 0.3576127 -1.9579825 -0.3104942 0.1103899 0.1009883 -0.6472873 11 Se -1.9572490 0.1472747 -0.1754441 0.1505621 -0.7590241 0.3107337 -0.1565544 0.3629601 -1.2334990 12 Se -1.9572490 -0.1472747 -0.1754441 -0.1505621 -0.7590241 -0.3107337 -0.1565544 -0.3629601 -1.2334990 13 Se -1.9572490 0.1472747 -0.1754441 0.1505621 -0.7590241 0.3107337 -0.1565544 0.3629601 -1.2334990 14 Se -1.9572490 -0.1472747 -0.1754441 -0.1505621 -0.7590241 -0.3107337 -0.1565544 -0.3629601 -1.2334990 15 Se -2.2620816 -0.2199706 0.4175058 -0.2752338 -0.7476477 0.2478500 0.3690815 0.2852572 -1.2421190 16 Se -2.2620816 0.2199706 0.4175058 0.2752338 -0.7476477 -0.2478500 0.3690815 -0.2852572 -1.2421190 17 Se -2.2620816 -0.2199706 0.4175058 -0.2752338 -0.7476477 0.2478500 0.3690815 0.2852572 -1.2421190 18 Se -2.2620816 0.2199706 0.4175058 0.2752338 -0.7476477 -0.2478500 0.3690815 -0.2852572 -1.2421190 19 P 3.0878391 -0.0566699 -0.4280875 -0.0486630 1.3300964 -0.5196184 -0.1567106 -0.2395083 0.8936704 20 P 3.0878391 0.0566699 -0.4280875 0.0486630 1.3300964 0.5196184 -0.1567106 0.2395083 0.8936704 21 P 3.0878391 -0.0566699 -0.4280875 -0.0486630 1.3300964 -0.5196184 -0.1567106 -0.2395083 0.8936704 22 P 3.0878391 0.0566699 -0.4280875 0.0486630 1.3300964 0.5196184 -0.1567106 0.2395083 0.8936704 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 9, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 57, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 73, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:24:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:24:42]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.615057138081256 0.000000000000000 0.000000000000000 b 0.000000000000000 12.507357470000001 0.000000000000000 c -5.577531216226166 0.000000000000000 7.691726823946168 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 3 Rb 0.72528128270609 0.82036177130970 0.98060332348998 85.468 4 Rb 0.27471871729391 0.32036177130970 0.51939667651002 85.468 5 Rb 0.27471871729391 0.17963822869030 0.01939667651002 85.468 6 Rb 0.72528128270609 0.67963822869030 0.48060332348998 85.468 7 Se 0.23688759725978 0.81803802850202 0.45011295715156 78.960 8 Se 0.76311240274022 0.31803802850202 0.04988704284844 78.960 9 Se 0.76311240274022 0.18196197149798 0.54988704284844 78.960 10 Se 0.23688759725978 0.68196197149798 0.95011295715156 78.960 11 Se 0.03846195995061 0.07463586289566 0.23535704568044 78.960 12 Se 0.96153804004939 0.57463586289566 0.26464295431955 78.960 13 Se 0.96153804004939 0.92536413710434 0.76464295431955 78.960 14 Se 0.03846195995061 0.42536413710434 0.73535704568045 78.960 15 Se 0.52633737268336 0.57355307575920 0.74441012519711 78.960 16 Se 0.47366262731664 0.07355307575920 0.75558987480289 78.960 17 Se 0.47366262731664 0.42644692424080 0.25558987480289 78.960 18 Se 0.52633737268336 0.92644692424080 0.24441012519711 78.960 19 P 0.34736460165357 0.95934911416558 0.37392962772042 30.974 20 P 0.65263539834643 0.45934911416558 0.12607037227958 30.974 21 P 0.65263539834643 0.04065088583442 0.62607037227958 30.974 22 P 0.34736460165357 0.54065088583442 0.87392962772042 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.230114276162512 0.000000000000000 0.000000000000000 b 0.000000000000000 12.507357470000001 0.000000000000000 c -11.155062432452333 0.000000000000000 15.383453647892336 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 1 2 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 1 4 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 1 5 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 5 6 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 5 7 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 5 8 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 5 9 Rb 0.36264064135304 0.82036177130970 0.49030166174499 85.468 > 9 10 Rb 0.86264064135304 0.82036177130970 0.49030166174499 85.468 > 9 11 Rb 0.36264064135304 0.82036177130970 0.99030166174499 85.468 > 9 12 Rb 0.86264064135304 0.82036177130970 0.99030166174499 85.468 > 9 13 Rb 0.13735935864696 0.32036177130970 0.25969833825501 85.468 > 13 14 Rb 0.63735935864696 0.32036177130970 0.25969833825501 85.468 > 13 15 Rb 0.13735935864696 0.32036177130970 0.75969833825501 85.468 > 13 16 Rb 0.63735935864696 0.32036177130970 0.75969833825501 85.468 > 13 17 Rb 0.13735935864696 0.17963822869030 0.00969833825501 85.468 > 17 18 Rb 0.63735935864696 0.17963822869030 0.00969833825501 85.468 > 17 19 Rb 0.13735935864696 0.17963822869030 0.50969833825501 85.468 > 17 20 Rb 0.63735935864696 0.17963822869030 0.50969833825501 85.468 > 17 21 Rb 0.36264064135304 0.67963822869030 0.24030166174499 85.468 > 21 22 Rb 0.86264064135304 0.67963822869030 0.24030166174499 85.468 > 21 23 Rb 0.36264064135304 0.67963822869030 0.74030166174499 85.468 > 21 24 Rb 0.86264064135304 0.67963822869030 0.74030166174499 85.468 > 21 25 Se 0.11844379862989 0.81803802850202 0.22505647857578 78.960 > 25 26 Se 0.61844379862989 0.81803802850202 0.22505647857578 78.960 > 25 27 Se 0.11844379862989 0.81803802850202 0.72505647857578 78.960 > 25 28 Se 0.61844379862989 0.81803802850202 0.72505647857578 78.960 > 25 29 Se 0.38155620137011 0.31803802850202 0.02494352142422 78.960 > 29 30 Se 0.88155620137011 0.31803802850202 0.02494352142422 78.960 > 29 31 Se 0.38155620137011 0.31803802850202 0.52494352142422 78.960 > 29 32 Se 0.88155620137011 0.31803802850202 0.52494352142422 78.960 > 29 33 Se 0.38155620137011 0.18196197149798 0.27494352142422 78.960 > 33 34 Se 0.88155620137011 0.18196197149798 0.27494352142422 78.960 > 33 35 Se 0.38155620137011 0.18196197149798 0.77494352142422 78.960 > 33 36 Se 0.88155620137011 0.18196197149798 0.77494352142422 78.960 > 33 37 Se 0.11844379862989 0.68196197149798 0.47505647857578 78.960 > 37 38 Se 0.61844379862989 0.68196197149798 0.47505647857578 78.960 > 37 39 Se 0.11844379862989 0.68196197149798 0.97505647857578 78.960 > 37 40 Se 0.61844379862989 0.68196197149798 0.97505647857578 78.960 > 37 41 Se 0.01923097997530 0.07463586289566 0.11767852284022 78.960 > 41 42 Se 0.51923097997530 0.07463586289566 0.11767852284022 78.960 > 41 43 Se 0.01923097997530 0.07463586289566 0.61767852284022 78.960 > 41 44 Se 0.51923097997530 0.07463586289566 0.61767852284022 78.960 > 41 45 Se 0.48076902002470 0.57463586289566 0.13232147715978 78.960 > 45 46 Se 0.98076902002470 0.57463586289566 0.13232147715978 78.960 > 45 47 Se 0.48076902002470 0.57463586289566 0.63232147715978 78.960 > 45 48 Se 0.98076902002470 0.57463586289566 0.63232147715978 78.960 > 45 49 Se 0.48076902002470 0.92536413710434 0.38232147715978 78.960 > 49 50 Se 0.98076902002470 0.92536413710434 0.38232147715978 78.960 > 49 51 Se 0.48076902002470 0.92536413710434 0.88232147715978 78.960 > 49 52 Se 0.98076902002470 0.92536413710434 0.88232147715978 78.960 > 49 53 Se 0.01923097997530 0.42536413710434 0.36767852284022 78.960 > 53 54 Se 0.51923097997530 0.42536413710434 0.36767852284022 78.960 > 53 55 Se 0.01923097997530 0.42536413710434 0.86767852284022 78.960 > 53 56 Se 0.51923097997530 0.42536413710434 0.86767852284022 78.960 > 53 57 Se 0.26316868634168 0.57355307575920 0.37220506259856 78.960 > 57 58 Se 0.76316868634168 0.57355307575920 0.37220506259856 78.960 > 57 59 Se 0.26316868634168 0.57355307575920 0.87220506259856 78.960 > 57 60 Se 0.76316868634168 0.57355307575920 0.87220506259856 78.960 > 57 61 Se 0.23683131365832 0.07355307575920 0.37779493740144 78.960 > 61 62 Se 0.73683131365832 0.07355307575920 0.37779493740144 78.960 > 61 63 Se 0.23683131365832 0.07355307575920 0.87779493740144 78.960 > 61 64 Se 0.73683131365832 0.07355307575920 0.87779493740144 78.960 > 61 65 Se 0.23683131365832 0.42644692424080 0.12779493740144 78.960 > 65 66 Se 0.73683131365832 0.42644692424080 0.12779493740144 78.960 > 65 67 Se 0.23683131365832 0.42644692424080 0.62779493740144 78.960 > 65 68 Se 0.73683131365832 0.42644692424080 0.62779493740144 78.960 > 65 69 Se 0.26316868634168 0.92644692424080 0.12220506259856 78.960 > 69 70 Se 0.76316868634168 0.92644692424080 0.12220506259856 78.960 > 69 71 Se 0.26316868634168 0.92644692424080 0.62220506259856 78.960 > 69 72 Se 0.76316868634168 0.92644692424080 0.62220506259856 78.960 > 69 73 P 0.17368230082679 0.95934911416558 0.18696481386021 30.974 > 73 74 P 0.67368230082679 0.95934911416558 0.18696481386021 30.974 > 73 75 P 0.17368230082679 0.95934911416558 0.68696481386021 30.974 > 73 76 P 0.67368230082679 0.95934911416558 0.68696481386021 30.974 > 73 77 P 0.32631769917322 0.45934911416558 0.06303518613979 30.974 > 77 78 P 0.82631769917322 0.45934911416558 0.06303518613979 30.974 > 77 79 P 0.32631769917322 0.45934911416558 0.56303518613979 30.974 > 77 80 P 0.82631769917322 0.45934911416558 0.56303518613979 30.974 > 77 81 P 0.32631769917322 0.04065088583442 0.31303518613979 30.974 > 81 82 P 0.82631769917322 0.04065088583442 0.31303518613979 30.974 > 81 83 P 0.32631769917322 0.04065088583442 0.81303518613979 30.974 > 81 84 P 0.82631769917322 0.04065088583442 0.81303518613979 30.974 > 81 85 P 0.17368230082679 0.54065088583442 0.43696481386021 30.974 > 85 86 P 0.67368230082679 0.54065088583442 0.43696481386021 30.974 > 85 87 P 0.17368230082679 0.54065088583442 0.93696481386021 30.974 > 85 88 P 0.67368230082679 0.54065088583442 0.93696481386021 30.974 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4136336 0.0000000 0.1684102 0.0000000 5.8110828 0.0000000 0.1684112 0.0000000 5.1899853 -------------------------- Born effective charges -------------------------- 1 Cd 3.5866887 0.1198497 0.1161510 -0.0748029 1.2939404 0.1323955 -0.1737761 0.2983531 1.6949367 2 Cd 3.5866887 -0.1198497 0.1161510 0.0748029 1.2939404 -0.1323955 -0.1737761 -0.2983531 1.6949367 3 Rb 1.3088773 0.1549012 -0.0614659 0.1035731 1.4875878 0.0122920 -0.0793183 -0.0117806 1.3817666 4 Rb 1.3088773 -0.1549012 -0.0614659 -0.1035731 1.4875878 -0.0122920 -0.0793183 0.0117806 1.3817666 5 Rb 1.3088773 0.1549012 -0.0614659 0.1035731 1.4875878 0.0122920 -0.0793183 -0.0117806 1.3817666 6 Rb 1.3088773 -0.1549012 -0.0614659 -0.1035731 1.4875878 -0.0122920 -0.0793183 0.0117806 1.3817666 7 Se -1.9707302 -0.4439507 0.1894162 -0.3576127 -1.9579825 0.3104942 0.1103899 -0.1009883 -0.6472873 8 Se -1.9707302 0.4439507 0.1894162 0.3576127 -1.9579825 -0.3104942 0.1103899 0.1009883 -0.6472873 9 Se -1.9707302 -0.4439507 0.1894162 -0.3576127 -1.9579825 0.3104942 0.1103899 -0.1009883 -0.6472873 10 Se -1.9707302 0.4439507 0.1894162 0.3576127 -1.9579825 -0.3104942 0.1103899 0.1009883 -0.6472873 11 Se -1.9572490 0.1472747 -0.1754441 0.1505621 -0.7590241 0.3107337 -0.1565544 0.3629601 -1.2334990 12 Se -1.9572490 -0.1472747 -0.1754441 -0.1505621 -0.7590241 -0.3107337 -0.1565544 -0.3629601 -1.2334990 13 Se -1.9572490 0.1472747 -0.1754441 0.1505621 -0.7590241 0.3107337 -0.1565544 0.3629601 -1.2334990 14 Se -1.9572490 -0.1472747 -0.1754441 -0.1505621 -0.7590241 -0.3107337 -0.1565544 -0.3629601 -1.2334990 15 Se -2.2620816 -0.2199706 0.4175058 -0.2752338 -0.7476477 0.2478500 0.3690815 0.2852572 -1.2421190 16 Se -2.2620816 0.2199706 0.4175058 0.2752338 -0.7476477 -0.2478500 0.3690815 -0.2852572 -1.2421190 17 Se -2.2620816 -0.2199706 0.4175058 -0.2752338 -0.7476477 0.2478500 0.3690815 0.2852572 -1.2421190 18 Se -2.2620816 0.2199706 0.4175058 0.2752338 -0.7476477 -0.2478500 0.3690815 -0.2852572 -1.2421190 19 P 3.0878391 -0.0566699 -0.4280875 -0.0486630 1.3300964 -0.5196184 -0.1567106 -0.2395083 0.8936704 20 P 3.0878391 0.0566699 -0.4280875 0.0486630 1.3300964 0.5196184 -0.1567106 0.2395083 0.8936704 21 P 3.0878391 -0.0566699 -0.4280875 -0.0486630 1.3300964 -0.5196184 -0.1567106 -0.2395083 0.8936704 22 P 3.0878391 0.0566699 -0.4280875 0.0486630 1.3300964 0.5196184 -0.1567106 0.2395083 0.8936704 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (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 ... [ 9 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 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 0.708 ( 0.000 0.000 0.000) 0.000 0.727 ( 0.000 0.000 0.000) 0.000 0.735 ( 0.000 0.000 0.000) 0.000 0.821 ( 0.000 0.000 0.000) 0.000 0.932 ( 0.000 0.000 0.000) 0.000 1.100 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 8.717 ( 0.000 0.000 0.000) 0.000 8.804 ( 0.000 0.000 0.000) 0.000 13.109 ( 0.000 0.000 0.000) 0.000 13.113 ( 0.000 0.000 0.000) 0.000 13.277 ( 0.000 0.000 0.000) 0.000 13.332 ( 0.000 0.000 0.000) 0.000 13.338 ( 0.000 0.000 0.000) 0.000 13.441 ( 0.000 0.000 0.000) 0.000 13.502 ( 0.000 0.000 0.000) 0.000 13.585 ( 0.000 0.000 0.000) 0.000 13.746 ( 0.000 0.000 0.000) 0.000 13.750 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 8.735 0.000 10.464) 13.630 0.286 ( 9.765 0.000 5.967) 11.444 0.582 ( 23.473 0.000 4.816) 23.962 0.616 ( -1.429 0.000 -4.306) 4.537 0.788 ( 7.255 0.000 1.494) 7.407 0.841 ( 2.649 0.000 6.522) 7.039 0.936 ( 2.254 0.000 0.051) 2.255 1.020 ( 16.732 0.000 0.526) 16.740 1.101 ( 2.949 0.000 -2.627) 3.949 1.108 ( 0.897 0.000 -0.174) 0.914 1.191 ( 1.796 0.000 0.494) 1.863 1.320 ( -5.169 0.000 1.852) 5.491 1.338 ( 0.941 0.000 1.624) 1.877 1.429 ( -1.029 0.000 -0.730) 1.261 1.469 ( 2.864 0.000 1.439) 3.205 1.570 ( -1.088 0.000 0.287) 1.125 1.613 ( 0.186 0.000 0.650) 0.676 1.676 ( -4.012 0.000 -1.149) 4.173 1.727 ( -0.071 0.000 1.496) 1.497 1.742 ( -0.603 0.000 1.381) 1.507 1.915 ( 2.886 0.000 -2.681) 3.939 1.927 ( -6.426 0.000 8.039) 10.292 1.951 ( -2.842 0.000 1.095) 3.046 2.017 ( 4.882 0.000 2.164) 5.340 2.020 ( -1.575 0.000 0.028) 1.575 2.148 ( 1.445 0.000 1.773) 2.287 2.223 ( -1.362 0.000 1.157) 1.787 2.224 ( 1.920 0.000 -1.961) 2.744 2.381 ( 0.793 0.000 -1.325) 1.544 2.413 ( 0.916 0.000 -1.110) 1.439 2.589 ( -1.327 0.000 0.420) 1.392 2.642 ( -2.483 0.000 -1.991) 3.183 2.875 ( -0.779 0.000 -0.932) 1.215 2.969 ( -0.815 0.000 -0.318) 0.874 3.077 ( 0.427 0.000 -0.931) 1.024 3.132 ( 2.880 0.000 0.362) 2.903 3.362 ( 3.147 0.000 0.061) 3.147 3.377 ( 6.587 0.000 -4.374) 7.907 3.680 ( -3.047 0.000 0.439) 3.079 3.720 ( -5.019 0.000 -3.615) 6.186 3.859 ( -4.816 0.000 0.483) 4.840 3.943 ( -5.681 0.000 -0.249) 5.686 4.174 ( 9.752 0.000 0.634) 9.773 4.241 ( -0.359 0.000 0.122) 0.379 4.248 ( 5.720 0.000 -2.546) 6.262 4.284 ( 5.088 0.000 -0.428) 5.106 4.581 ( 3.878 0.000 -6.603) 7.657 4.588 ( -1.611 0.000 -0.411) 1.663 4.811 ( -1.677 0.000 1.148) 2.033 4.880 ( -1.941 0.000 -0.889) 2.135 5.160 ( -1.679 0.000 0.404) 1.727 5.338 ( -2.232 0.000 -2.364) 3.252 6.414 ( 0.711 0.000 0.624) 0.946 6.454 ( -0.269 0.000 -0.598) 0.655 8.695 ( -3.051 0.000 0.756) 3.143 8.849 ( -6.790 0.000 3.605) 7.687 13.132 ( 2.145 0.000 0.634) 2.236 13.139 ( 2.615 0.000 0.304) 2.632 13.279 ( 0.014 0.000 0.264) 0.264 13.326 ( -0.110 0.000 -0.819) 0.826 13.359 ( 2.474 0.000 -0.174) 2.480 13.455 ( 2.102 0.000 -0.416) 2.143 13.520 ( 2.574 0.000 -0.419) 2.608 13.729 ( 1.006 0.000 -0.940) 1.377 13.830 ( 6.467 0.000 0.581) 6.493 13.946 ( 15.839 0.000 -22.321) 27.370 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 1.933 0.000 -2.335) 3.031 0.530 ( 8.172 0.000 6.110) 10.204 0.627 ( 2.941 0.000 4.001) 4.966 0.717 ( -1.503 0.000 0.470) 1.575 0.921 ( 3.633 0.000 -1.683) 4.004 0.959 ( 4.117 0.000 3.372) 5.322 1.037 ( -1.595 0.000 -2.325) 2.819 1.120 ( 6.267 0.000 0.545) 6.291 1.210 ( 1.377 0.000 0.085) 1.380 1.226 ( 12.702 0.000 5.156) 13.709 1.264 ( 2.007 0.000 -1.320) 2.403 1.380 ( 3.340 0.000 3.120) 4.570 1.387 ( -3.330 0.000 -0.040) 3.330 1.422 ( 16.829 0.000 -1.351) 16.883 1.521 ( 1.413 0.000 -0.129) 1.419 1.580 ( -5.430 0.000 2.096) 5.820 1.621 ( 7.584 0.000 4.284) 8.711 1.672 ( 5.223 0.000 -0.281) 5.231 1.738 ( 0.189 0.000 -0.224) 0.293 1.751 ( -0.909 0.000 1.918) 2.122 1.908 ( -1.799 0.000 3.035) 3.528 1.911 ( -3.313 0.000 1.303) 3.560 1.956 ( 2.455 0.000 -0.281) 2.471 1.994 ( -1.803 0.000 -0.578) 1.894 2.122 ( 4.501 0.000 2.388) 5.095 2.134 ( -2.871 0.000 -0.222) 2.880 2.213 ( -1.699 0.000 1.321) 2.151 2.248 ( 2.170 0.000 -0.364) 2.201 2.388 ( -2.944 0.000 -0.993) 3.107 2.435 ( 6.481 0.000 -0.571) 6.507 2.561 ( -2.430 0.000 0.656) 2.517 2.608 ( 2.734 0.000 -2.412) 3.646 2.851 ( -0.561 0.000 -0.547) 0.783 2.954 ( -0.336 0.000 -0.030) 0.337 3.077 ( 1.315 0.000 -1.490) 1.987 3.179 ( 2.397 0.000 -0.646) 2.482 3.431 ( 4.446 0.000 -0.268) 4.454 3.446 ( 5.126 0.000 -1.155) 5.254 3.559 ( -10.132 0.000 -1.289) 10.214 3.593 ( -7.621 0.000 1.052) 7.693 3.817 ( -1.329 0.000 0.484) 1.415 3.849 ( -4.268 0.000 -0.656) 4.318 4.229 ( -0.843 0.000 0.531) 0.996 4.275 ( 0.110 0.000 -0.341) 0.359 4.348 ( 9.256 0.000 -0.443) 9.267 4.389 ( 7.011 0.000 -0.843) 7.062 4.543 ( -2.871 0.000 -0.379) 2.896 4.559 ( 0.236 0.000 -2.557) 2.568 4.803 ( -1.273 0.000 1.869) 2.261 4.824 ( -2.709 0.000 -1.443) 3.069 5.123 ( -3.671 0.000 0.955) 3.793 5.243 ( -5.228 0.000 -2.592) 5.835 6.436 ( -0.604 0.000 -1.034) 1.198 6.438 ( 0.942 0.000 0.809) 1.242 8.640 ( -4.616 0.000 1.107) 4.747 8.758 ( -7.015 0.000 1.073) 7.096 13.186 ( 2.633 0.000 0.928) 2.791 13.195 ( 3.303 0.000 0.252) 3.313 13.279 ( -0.364 0.000 0.112) 0.380 13.309 ( -0.233 0.000 -1.361) 1.381 13.411 ( 3.972 0.000 -0.442) 3.997 13.502 ( 4.181 0.000 -0.939) 4.285 13.581 ( 4.464 0.000 0.818) 4.538 13.757 ( 3.302 0.000 -0.467) 3.335 13.937 ( 7.137 0.000 -10.885) 13.016 13.963 ( 8.128 0.000 0.293) 8.133 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 2.170 0.000 -2.898) 3.620 0.623 ( -0.807 0.000 -1.238) 1.478 0.722 ( 0.779 0.000 5.077) 5.136 0.743 ( 3.704 0.000 2.040) 4.229 0.940 ( 2.824 0.000 -2.648) 3.872 0.976 ( -2.509 0.000 -1.654) 3.006 1.063 ( 6.190 0.000 -0.806) 6.242 1.184 ( -2.407 0.000 -0.982) 2.599 1.204 ( -1.402 0.000 -0.598) 1.525 1.237 ( 2.711 0.000 1.783) 3.244 1.353 ( -2.111 0.000 3.866) 4.405 1.437 ( -0.227 0.000 2.661) 2.671 1.477 ( 6.069 0.000 2.108) 6.425 1.529 ( 2.405 0.000 1.854) 3.037 1.529 ( -2.687 0.000 0.887) 2.830 1.634 ( 6.995 0.000 0.727) 7.032 1.690 ( -0.460 0.000 -3.190) 3.223 1.751 ( -0.672 0.000 1.073) 1.266 1.845 ( 8.940 0.000 1.848) 9.129 1.858 ( 1.087 0.000 1.225) 1.637 1.896 ( 7.782 0.000 2.400) 8.143 1.934 ( 0.402 0.000 2.531) 2.562 1.942 ( -2.973 0.000 -1.116) 3.176 1.991 ( 2.773 0.000 -1.196) 3.020 2.088 ( -0.692 0.000 -1.093) 1.294 2.187 ( -1.240 0.000 -0.942) 1.557 2.222 ( -0.695 0.000 2.396) 2.494 2.304 ( 5.579 0.000 -0.341) 5.589 2.358 ( 4.890 0.000 1.798) 5.210 2.532 ( 3.010 0.000 -0.140) 3.013 2.545 ( 1.708 0.000 1.002) 1.980 2.653 ( 4.217 0.000 -1.535) 4.488 2.852 ( 1.111 0.000 0.068) 1.113 2.962 ( 0.163 0.000 0.839) 0.855 3.080 ( 1.328 0.000 -1.371) 1.909 3.186 ( -0.456 0.000 -1.240) 1.321 3.361 ( -12.149 0.000 0.318) 12.153 3.407 ( -8.362 0.000 0.006) 8.362 3.497 ( 2.370 0.000 -1.463) 2.785 3.550 ( 2.578 0.000 0.418) 2.611 3.805 ( -0.090 0.000 -0.103) 0.137 3.816 ( 0.549 0.000 0.354) 0.653 4.221 ( -0.723 0.000 0.408) 0.830 4.251 ( -1.657 0.000 -1.010) 1.941 4.430 ( -0.780 0.000 0.060) 0.782 4.483 ( 3.763 0.000 0.119) 3.765 4.525 ( 3.786 0.000 -1.462) 4.058 4.530 ( 0.525 0.000 -1.992) 2.060 4.771 ( -1.268 0.000 -1.093) 1.675 4.814 ( -0.078 0.000 1.694) 1.695 5.067 ( -4.542 0.000 1.449) 4.768 5.108 ( -7.111 0.000 -2.084) 7.410 6.411 ( -0.699 0.000 -1.023) 1.239 6.461 ( 0.712 0.000 0.597) 0.929 8.578 ( -3.986 0.000 0.930) 4.093 8.657 ( -5.554 0.000 0.326) 5.563 13.227 ( 0.601 0.000 0.618) 0.862 13.247 ( 2.515 0.000 0.039) 2.515 13.272 ( -0.489 0.000 -0.013) 0.489 13.293 ( 0.783 0.000 -1.387) 1.593 13.472 ( 3.587 0.000 -0.444) 3.615 13.560 ( 3.960 0.000 -1.145) 4.122 13.682 ( 4.716 0.000 2.390) 5.287 13.822 ( 3.943 0.000 0.551) 3.981 13.919 ( 3.410 0.000 -6.664) 7.485 14.090 ( 6.358 0.000 -0.116) 6.359 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 1.327 0.000 -1.268) 1.835 0.588 ( -0.608 0.000 -1.117) 1.272 0.783 ( 0.472 0.000 3.228) 3.262 0.805 ( 1.323 0.000 0.775) 1.533 0.917 ( -1.913 0.000 -1.348) 2.340 0.969 ( 3.559 0.000 -1.648) 3.922 1.089 ( -5.014 0.000 -0.504) 5.040 1.126 ( 2.764 0.000 -2.109) 3.477 1.178 ( -0.548 0.000 0.328) 0.638 1.324 ( 3.014 0.000 2.487) 3.908 1.374 ( -0.236 0.000 -0.086) 0.251 1.451 ( -0.574 0.000 1.309) 1.429 1.506 ( -1.148 0.000 0.931) 1.478 1.559 ( 0.608 0.000 3.331) 3.386 1.588 ( 1.221 0.000 1.196) 1.709 1.640 ( 0.022 0.000 -3.718) 3.718 1.739 ( 4.507 0.000 0.875) 4.592 1.765 ( 1.294 0.000 0.607) 1.429 1.813 ( -3.431 0.000 -0.469) 3.463 1.875 ( -3.082 0.000 -0.655) 3.151 1.952 ( 1.022 0.000 1.378) 1.716 1.978 ( 2.534 0.000 0.028) 2.534 2.002 ( 0.772 0.000 0.885) 1.175 2.022 ( 1.963 0.000 -0.124) 1.967 2.100 ( 1.334 0.000 0.118) 1.340 2.143 ( -2.129 0.000 -0.589) 2.209 2.179 ( -2.650 0.000 0.257) 2.662 2.398 ( 3.996 0.000 -0.692) 4.056 2.559 ( 1.254 0.000 -0.019) 1.254 2.573 ( 11.332 0.000 2.343) 11.572 2.629 ( 5.578 0.000 0.457) 5.596 2.682 ( 0.620 0.000 -1.426) 1.555 2.875 ( 0.992 0.000 -0.344) 1.050 2.935 ( -3.683 0.000 -0.299) 3.695 3.113 ( 2.899 0.000 0.596) 2.960 3.114 ( -7.510 0.000 1.449) 7.649 3.216 ( -2.624 0.000 -1.164) 2.871 3.266 ( -6.541 0.000 0.037) 6.541 3.499 ( 0.252 0.000 -0.902) 0.937 3.589 ( 1.367 0.000 -0.295) 1.399 3.825 ( 1.187 0.000 0.217) 1.207 3.838 ( 1.065 0.000 0.199) 1.083 4.214 ( -0.981 0.000 -0.586) 1.143 4.218 ( -0.087 0.000 0.199) 0.218 4.393 ( -2.095 0.000 0.351) 2.124 4.474 ( -1.444 0.000 -0.139) 1.451 4.574 ( 2.611 0.000 -1.175) 2.863 4.574 ( 3.303 0.000 -0.654) 3.367 4.760 ( 0.556 0.000 -0.262) 0.615 4.834 ( 0.260 0.000 0.777) 0.820 4.979 ( -4.752 0.000 -0.863) 4.830 5.018 ( -2.359 0.000 0.756) 2.477 6.393 ( -0.310 0.000 -0.429) 0.529 6.474 ( 0.257 0.000 0.212) 0.333 8.537 ( -1.553 0.000 0.355) 1.593 8.593 ( -2.110 0.000 0.074) 2.111 13.226 ( -0.381 0.000 -0.040) 0.383 13.262 ( -0.122 0.000 -0.130) 0.178 13.280 ( 0.860 0.000 0.099) 0.866 13.300 ( 0.774 0.000 -0.360) 0.854 13.512 ( 1.431 0.000 -0.199) 1.445 13.599 ( 1.576 0.000 -0.469) 1.644 13.777 ( 2.369 0.000 2.251) 3.268 13.882 ( 1.768 0.000 0.509) 1.840 13.889 ( 0.667 0.000 -3.411) 3.476 14.163 ( 2.368 0.000 -0.162) 2.373 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( 0.000 10.802 0.000) 10.802 0.250 ( 0.000 12.153 0.000) 12.153 0.483 ( 0.000 19.209 0.000) 19.209 0.662 ( 0.000 -4.474 0.000) 4.474 0.663 ( 0.000 -7.634 0.000) 7.634 0.739 ( 0.000 2.717 0.000) 2.717 0.835 ( 0.000 1.636 0.000) 1.636 0.963 ( 0.000 2.223 0.000) 2.223 1.057 ( 0.000 -4.214 0.000) 4.214 1.150 ( 0.000 2.653 0.000) 2.653 1.191 ( 0.000 -4.082 0.000) 4.082 1.217 ( 0.000 0.204 0.000) 0.204 1.390 ( 0.000 -2.644 0.000) 2.644 1.439 ( 0.000 -2.863 0.000) 2.863 1.462 ( 0.000 0.333 0.000) 0.333 1.511 ( 0.000 -4.864 0.000) 4.864 1.626 ( 0.000 0.812 0.000) 0.812 1.695 ( 0.000 -1.072 0.000) 1.072 1.756 ( 0.000 1.994 0.000) 1.994 1.795 ( 0.000 2.760 0.000) 2.760 1.876 ( 0.000 -0.486 0.000) 0.486 1.885 ( 0.000 -0.857 0.000) 0.857 1.919 ( 0.000 -1.275 0.000) 1.275 1.985 ( 0.000 0.254 0.000) 0.254 2.091 ( 0.000 2.081 0.000) 2.081 2.138 ( 0.000 -0.501 0.000) 0.501 2.233 ( 0.000 0.927 0.000) 0.927 2.332 ( 0.000 -2.657 0.000) 2.657 2.428 ( 0.000 1.959 0.000) 1.959 2.459 ( 0.000 0.262 0.000) 0.262 2.572 ( 0.000 0.411 0.000) 0.411 2.612 ( 0.000 -1.198 0.000) 1.198 2.907 ( 0.000 1.664 0.000) 1.664 2.970 ( 0.000 -0.924 0.000) 0.924 3.084 ( 0.000 0.300 0.000) 0.300 3.097 ( 0.000 -0.236 0.000) 0.236 3.280 ( 0.000 1.266 0.000) 1.266 3.345 ( 0.000 -1.302 0.000) 1.302 3.723 ( 0.000 1.314 0.000) 1.314 3.759 ( 0.000 -0.145 0.000) 0.145 3.948 ( 0.000 0.126 0.000) 0.126 3.990 ( 0.000 -1.391 0.000) 1.391 4.019 ( 0.000 0.719 0.000) 0.719 4.045 ( 0.000 -0.350 0.000) 0.350 4.245 ( 0.000 0.016 0.000) 0.016 4.249 ( 0.000 -0.093 0.000) 0.093 4.547 ( 0.000 1.116 0.000) 1.116 4.598 ( 0.000 -0.899 0.000) 0.899 4.833 ( 0.000 1.151 0.000) 1.151 4.891 ( 0.000 -1.151 0.000) 1.151 5.188 ( 0.000 1.464 0.000) 1.464 5.265 ( 0.000 -1.580 0.000) 1.580 6.412 ( 0.000 0.816 0.000) 0.816 6.452 ( 0.000 -0.746 0.000) 0.746 8.751 ( 0.000 0.805 0.000) 0.805 8.794 ( 0.000 -0.878 0.000) 0.878 13.117 ( 0.000 0.663 0.000) 0.663 13.121 ( 0.000 0.635 0.000) 0.635 13.276 ( 0.000 0.041 0.000) 0.041 13.315 ( 0.000 -1.465 0.000) 1.465 13.452 ( 0.000 0.984 0.000) 0.984 13.493 ( 0.000 -0.742 0.000) 0.742 13.535 ( 0.000 0.879 0.000) 0.879 13.577 ( 0.000 -0.771 0.000) 0.771 13.746 ( 0.000 0.073 0.000) 0.073 13.755 ( 0.000 -0.238 0.000) 0.238 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( 6.061 4.827 5.144) 9.300 0.421 ( 8.378 8.192 4.948) 12.720 0.597 ( -1.120 -2.054 -2.076) 3.128 0.710 ( 14.620 9.294 1.946) 17.433 0.774 ( 8.541 -2.040 0.930) 8.830 0.820 ( 3.244 -0.839 3.665) 4.966 0.908 ( 6.039 -1.797 0.409) 6.314 1.030 ( 10.224 0.798 2.855) 10.645 1.066 ( 1.466 -3.748 -0.677) 4.081 1.116 ( 1.885 0.367 -2.484) 3.139 1.221 ( 1.627 0.848 -1.131) 2.155 1.258 ( 2.570 -0.136 3.732) 4.534 1.349 ( -1.607 -2.147 -1.337) 2.997 1.404 ( -3.286 -2.588 1.142) 4.336 1.473 ( 2.569 0.612 -0.677) 2.726 1.543 ( 2.285 -3.408 0.925) 4.206 1.613 ( -0.650 1.547 0.807) 1.861 1.652 ( -4.489 0.430 1.191) 4.665 1.766 ( -1.246 1.001 2.690) 3.129 1.785 ( -2.878 1.081 0.323) 3.091 1.888 ( 2.895 -0.653 -1.882) 3.514 1.910 ( -0.938 0.015 3.388) 3.516 1.961 ( 0.577 -0.382 0.922) 1.153 1.991 ( 2.032 -1.493 0.928) 2.688 2.054 ( -2.877 2.741 1.327) 4.189 2.162 ( -0.326 -2.717 0.951) 2.897 2.221 ( -1.015 4.209 0.112) 4.331 2.296 ( -0.529 2.659 -1.690) 3.195 2.378 ( 0.307 0.260 -0.747) 0.849 2.418 ( 1.172 0.111 -1.927) 2.258 2.581 ( -1.297 -0.403 -0.133) 1.365 2.618 ( -2.038 -1.808 -0.604) 2.790 2.896 ( -0.567 1.912 -0.913) 2.194 2.964 ( -0.853 -0.683 -0.155) 1.104 3.079 ( 0.377 0.284 -0.797) 0.927 3.113 ( 2.441 -1.407 0.134) 2.821 3.346 ( 5.505 -0.581 -0.787) 5.591 3.369 ( 4.050 -0.821 -1.407) 4.365 3.693 ( -4.055 0.912 0.092) 4.157 3.714 ( -4.536 -0.380 -2.173) 5.044 3.866 ( -4.574 0.718 0.394) 4.647 3.922 ( -4.720 -1.652 -0.180) 5.004 4.171 ( 9.425 -0.284 0.630) 9.450 4.191 ( 8.403 -1.971 -0.656) 8.656 4.265 ( 1.731 0.372 0.128) 1.775 4.281 ( 4.197 -0.367 0.263) 4.222 4.560 ( 1.679 -0.352 -1.766) 2.462 4.586 ( -1.130 -0.515 -0.582) 1.371 4.820 ( -1.776 0.872 0.779) 2.126 4.868 ( -2.102 -1.062 -0.462) 2.400 5.176 ( -1.746 1.476 0.302) 2.306 5.278 ( -0.936 -3.646 -0.191) 3.769 6.420 ( 0.588 0.583 0.403) 0.921 6.448 ( -0.117 -0.525 -0.440) 0.695 8.716 ( -3.364 1.640 0.593) 3.789 8.804 ( -3.820 -2.933 2.715) 5.528 13.141 ( 2.361 0.739 0.383) 2.503 13.148 ( 2.664 0.679 0.336) 2.770 13.279 ( 0.082 0.102 0.255) 0.286 13.313 ( 0.131 -1.125 -0.614) 1.288 13.408 ( -1.051 3.159 -0.153) 3.333 13.457 ( 1.299 0.072 -0.321) 1.340 13.534 ( 3.132 1.585 -1.132) 3.688 13.685 ( 3.699 -4.611 -2.653) 6.479 13.823 ( 6.556 -0.565 0.033) 6.581 13.849 ( 12.651 -3.875 -7.177) 15.052 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 2.599 1.641 -1.492) 3.417 0.555 ( 1.734 -1.663 1.229) 2.699 0.618 ( 3.917 3.091 4.216) 6.532 0.771 ( 1.148 3.370 -0.283) 3.572 0.870 ( 1.640 -3.528 -3.037) 4.935 0.938 ( 4.575 -1.976 2.261) 5.472 1.079 ( 5.016 0.535 -0.909) 5.126 1.112 ( 3.641 -1.838 1.813) 4.464 1.116 ( 0.827 0.161 4.598) 4.675 1.259 ( 5.851 0.032 -1.670) 6.084 1.311 ( -3.138 -2.181 1.910) 4.272 1.319 ( 5.484 -1.228 2.850) 6.302 1.382 ( 11.562 0.924 -0.541) 11.611 1.424 ( 5.371 -1.531 1.363) 5.748 1.527 ( 5.758 1.489 -0.745) 5.994 1.588 ( -0.082 2.755 1.938) 3.370 1.636 ( 2.348 -1.303 2.889) 3.944 1.658 ( 4.677 0.441 1.903) 5.069 1.727 ( -3.951 -2.213 1.467) 4.760 1.768 ( 0.922 1.944 -0.298) 2.172 1.916 ( 1.116 0.302 -0.224) 1.178 1.931 ( 0.125 0.677 1.810) 1.937 1.950 ( 0.234 0.297 -1.187) 1.246 2.021 ( -2.613 1.614 2.548) 3.990 2.055 ( 1.078 -2.336 -0.598) 2.642 2.161 ( -1.440 -2.464 2.933) 4.093 2.208 ( -0.480 3.048 0.873) 3.207 2.280 ( 0.251 1.049 -0.423) 1.158 2.404 ( -0.938 1.533 -0.843) 1.985 2.445 ( 6.029 0.908 -0.964) 6.173 2.543 ( -2.231 -1.309 -0.070) 2.588 2.587 ( 1.817 -1.944 -1.676) 3.145 2.875 ( -0.593 2.101 -0.491) 2.237 2.948 ( -0.550 -0.765 -0.041) 0.944 3.083 ( 1.471 0.711 -1.366) 2.129 3.156 ( 2.443 -2.121 -0.775) 3.327 3.430 ( 4.852 -0.021 -0.210) 4.857 3.440 ( 5.304 -0.484 -0.743) 5.377 3.565 ( -9.919 0.581 -0.735) 9.963 3.592 ( -8.206 -0.311 0.474) 8.225 3.823 ( -1.492 0.538 0.204) 1.599 3.845 ( -3.455 -0.363 -0.644) 3.533 4.234 ( -0.161 0.487 0.505) 0.720 4.266 ( 0.486 -0.814 0.001) 0.948 4.359 ( 8.916 0.960 -0.705) 8.995 4.390 ( 7.733 -0.092 -0.978) 7.795 4.544 ( -2.550 0.097 -0.400) 2.583 4.552 ( -0.624 -0.484 -1.501) 1.696 4.804 ( -1.449 0.109 1.375) 2.000 4.818 ( -2.511 -0.502 -0.920) 2.721 5.134 ( -3.888 1.093 0.672) 4.095 5.216 ( -4.725 -2.350 -1.577) 5.508 6.437 ( -0.361 0.041 -0.780) 0.861 6.438 ( 0.726 -0.005 0.499) 0.881 8.656 ( -4.817 1.458 1.074) 5.147 8.736 ( -6.238 -1.919 1.141) 6.626 13.195 ( 2.854 0.778 0.638) 3.026 13.204 ( 3.156 0.657 0.248) 3.234 13.279 ( -0.391 0.042 0.023) 0.394 13.302 ( -0.250 -0.700 -1.077) 1.309 13.433 ( 3.381 1.908 -0.335) 3.897 13.497 ( 3.805 -0.629 -0.585) 3.901 13.592 ( 4.696 1.315 -0.088) 4.878 13.721 ( 4.173 -3.488 -1.637) 5.680 13.920 ( 7.234 -0.598 -6.049) 9.449 13.953 ( 7.938 -1.059 -0.675) 8.037 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 1.269 0.948 -3.037) 3.425 0.557 ( -0.294 -5.083 -1.753) 5.385 0.716 ( 2.262 0.403 2.281) 3.238 0.805 ( 0.303 1.626 1.210) 2.049 0.859 ( 3.336 -1.071 -3.155) 4.714 1.022 ( 3.152 -2.511 0.425) 4.052 1.088 ( 1.333 3.361 -1.566) 3.940 1.125 ( -4.461 -1.001 2.831) 5.377 1.218 ( 4.552 0.546 1.390) 4.791 1.295 ( 1.085 1.420 -0.497) 1.855 1.303 ( -1.293 -1.908 3.469) 4.165 1.414 ( 2.808 -3.299 2.922) 5.226 1.481 ( 0.826 0.736 0.522) 1.223 1.490 ( 1.673 -0.830 1.382) 2.323 1.567 ( -2.902 1.796 1.137) 3.598 1.624 ( 1.426 -1.863 -0.738) 2.460 1.692 ( 1.373 0.939 0.788) 1.840 1.739 ( 2.634 -2.707 1.407) 4.031 1.819 ( 7.676 1.503 0.623) 7.847 1.897 ( 9.708 0.838 1.136) 9.810 1.913 ( 0.139 2.725 0.927) 2.881 1.939 ( -1.090 -0.061 -0.113) 1.098 1.967 ( 3.236 0.224 -1.444) 3.551 2.010 ( -1.245 2.968 1.853) 3.713 2.047 ( 0.981 -3.231 -1.416) 3.662 2.156 ( -3.186 -2.889 1.815) 4.668 2.263 ( 2.448 3.119 1.165) 4.132 2.317 ( 4.983 0.630 -0.235) 5.028 2.376 ( 2.755 1.996 1.398) 3.678 2.514 ( 0.136 -2.901 0.978) 3.064 2.547 ( 4.598 1.369 -0.539) 4.828 2.633 ( 4.272 -1.894 -1.290) 4.848 2.875 ( 0.885 2.027 0.203) 2.221 2.952 ( 0.199 -1.033 0.758) 1.296 3.088 ( 1.192 0.891 -1.362) 2.017 3.165 ( 0.095 -1.967 -1.341) 2.383 3.371 ( -12.047 0.893 0.293) 12.084 3.403 ( -9.217 -0.392 0.089) 9.226 3.503 ( 2.819 0.598 -1.190) 3.118 3.540 ( 2.853 -0.847 0.111) 2.978 3.808 ( 0.097 0.289 -0.143) 0.337 3.816 ( 0.418 -0.005 0.245) 0.485 4.229 ( -0.813 0.631 0.295) 1.071 4.250 ( -1.451 -0.171 -0.631) 1.591 4.443 ( -0.193 1.271 -0.437) 1.358 4.493 ( 3.549 0.901 -0.197) 3.667 4.511 ( 1.574 -1.334 -1.771) 2.719 4.526 ( 2.341 -0.415 -1.278) 2.699 4.776 ( -1.022 0.481 -0.723) 1.341 4.807 ( -0.179 -0.679 1.226) 1.413 5.068 ( -4.995 0.227 1.111) 5.123 5.098 ( -6.582 -0.868 -1.286) 6.762 6.419 ( -0.495 0.691 -0.804) 1.170 6.454 ( 0.511 -0.682 0.342) 0.918 8.589 ( -4.163 1.092 0.860) 4.389 8.645 ( -5.237 -1.127 0.448) 5.375 13.236 ( 0.630 0.818 0.530) 1.160 13.253 ( 2.434 0.496 -0.011) 2.484 13.269 ( -0.565 -0.215 -0.153) 0.624 13.288 ( 0.767 -0.530 -1.195) 1.516 13.491 ( 3.546 1.746 -0.381) 3.970 13.556 ( 3.869 -0.596 -0.891) 4.015 13.684 ( 4.669 0.442 1.590) 4.952 13.779 ( 4.081 -3.434 -1.007) 5.427 13.952 ( 4.083 2.721 -3.718) 6.156 14.068 ( 6.003 -2.095 -0.458) 6.375 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 0.737 -0.439 -1.311) 1.566 0.531 ( -0.138 -5.111 -1.219) 5.256 0.767 ( 2.252 -1.191 0.332) 2.569 0.799 ( -1.589 -1.259 0.529) 2.095 0.887 ( 1.655 1.509 -0.809) 2.381 1.044 ( 1.382 0.254 -1.374) 1.966 1.073 ( -4.629 1.448 2.612) 5.509 1.121 ( 2.976 -1.285 -0.984) 3.387 1.231 ( -1.402 5.984 -0.682) 6.184 1.332 ( 0.493 -1.290 1.320) 1.911 1.354 ( 3.839 0.716 0.862) 4.000 1.474 ( -0.777 0.941 1.195) 1.708 1.488 ( 0.428 -4.205 0.746) 4.292 1.516 ( -1.571 -1.794 2.259) 3.285 1.540 ( 0.814 -2.193 -0.041) 2.339 1.596 ( -1.006 -2.962 -2.244) 3.850 1.750 ( 2.478 0.571 1.610) 3.009 1.787 ( 0.897 -1.175 -0.021) 1.478 1.848 ( -0.438 4.917 0.047) 4.936 1.899 ( -1.956 2.060 -0.268) 2.853 1.970 ( 1.783 -0.282 0.074) 1.807 1.980 ( 1.548 0.620 -0.242) 1.685 1.987 ( -0.007 1.157 1.307) 1.746 2.035 ( 1.433 0.549 0.094) 1.538 2.065 ( 1.039 -3.058 -0.559) 3.278 2.120 ( -2.005 -2.241 0.564) 3.059 2.249 ( -1.443 5.535 -0.015) 5.720 2.397 ( 2.762 -0.569 -0.404) 2.849 2.553 ( 6.965 -0.267 0.903) 7.028 2.581 ( 6.883 0.040 1.442) 7.033 2.610 ( 4.541 -0.853 -0.030) 4.620 2.666 ( 0.827 -1.501 -1.177) 2.079 2.892 ( 0.302 1.420 -0.263) 1.475 2.933 ( -3.094 -0.287 -0.261) 3.119 3.114 ( 2.701 0.219 0.489) 2.754 3.126 ( -4.315 0.720 1.469) 4.615 3.206 ( -4.702 -0.482 -1.202) 4.877 3.252 ( -7.076 -1.342 0.032) 7.202 3.513 ( 0.425 1.300 -0.821) 1.595 3.576 ( 1.210 -1.217 -0.403) 1.763 3.829 ( 1.228 0.352 0.198) 1.293 3.838 ( 1.099 -0.038 0.207) 1.119 4.218 ( -0.723 0.379 -0.282) 0.863 4.222 ( -0.399 0.298 -0.009) 0.498 4.407 ( -1.921 1.226 0.154) 2.284 4.464 ( -1.550 -1.014 -0.258) 1.870 4.573 ( 3.011 -0.019 -0.864) 3.132 4.574 ( 3.033 -0.034 -0.897) 3.163 4.766 ( 0.314 0.710 -0.225) 0.808 4.819 ( 0.018 -1.345 0.467) 1.424 4.985 ( -4.095 0.580 -0.316) 4.148 5.013 ( -2.618 -0.501 0.589) 2.729 6.405 ( -0.231 1.117 -0.341) 1.190 6.462 ( 0.173 -1.135 0.112) 1.153 8.546 ( -1.623 0.816 0.321) 1.845 8.585 ( -2.011 -0.723 0.124) 2.141 13.234 ( -0.397 0.710 -0.064) 0.816 13.259 ( -0.244 -0.306 -0.127) 0.411 13.283 ( 0.911 0.257 0.026) 0.946 13.297 ( 0.797 -0.297 -0.292) 0.900 13.531 ( 1.447 1.794 -0.191) 2.312 13.595 ( 1.560 -0.480 -0.402) 1.681 13.768 ( 2.262 -0.578 1.836) 2.970 13.813 ( 1.346 -3.104 -1.318) 3.631 13.970 ( 1.447 4.468 -1.032) 4.809 14.134 ( 2.218 -2.778 -0.260) 3.565 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 0.000 -11.662 0.000) 11.662 0.424 ( 0.000 11.662 0.000) 11.662 0.479 ( 0.000 -10.565 0.000) 10.565 0.479 ( 0.000 10.565 0.000) 10.565 0.781 ( 0.000 -0.607 0.000) 0.607 0.781 ( 0.000 0.607 0.000) 0.607 0.927 ( 0.000 -8.989 0.000) 8.989 0.927 ( 0.000 8.989 0.000) 8.989 1.045 ( 0.000 -7.233 0.000) 7.233 1.045 ( 0.000 7.233 0.000) 7.233 1.229 ( 0.000 -3.068 0.000) 3.068 1.229 ( 0.000 3.068 0.000) 3.068 1.351 ( 0.000 -0.612 0.000) 0.612 1.351 ( 0.000 0.612 0.000) 0.612 1.471 ( 0.000 -0.989 0.000) 0.989 1.471 ( 0.000 0.989 0.000) 0.989 1.650 ( 0.000 -1.856 0.000) 1.856 1.650 ( 0.000 1.856 0.000) 1.856 1.807 ( 0.000 -2.251 0.000) 2.251 1.807 ( 0.000 2.251 0.000) 2.251 1.872 ( 0.000 -0.443 0.000) 0.443 1.872 ( 0.000 0.443 0.000) 0.443 1.950 ( 0.000 -3.254 0.000) 3.254 1.950 ( 0.000 3.254 0.000) 3.254 2.124 ( 0.000 -1.087 0.000) 1.087 2.124 ( 0.000 1.087 0.000) 1.087 2.273 ( 0.000 -2.884 0.000) 2.884 2.273 ( 0.000 2.884 0.000) 2.884 2.456 ( 0.000 -0.741 0.000) 0.741 2.456 ( 0.000 0.741 0.000) 0.741 2.588 ( 0.000 -1.106 0.000) 1.106 2.588 ( 0.000 1.106 0.000) 1.106 2.943 ( 0.000 -1.709 0.000) 1.709 2.943 ( 0.000 1.709 0.000) 1.709 3.091 ( 0.000 -0.371 0.000) 0.371 3.091 ( 0.000 0.371 0.000) 0.371 3.312 ( 0.000 -1.819 0.000) 1.819 3.312 ( 0.000 1.819 0.000) 1.819 3.749 ( 0.000 -0.988 0.000) 0.988 3.749 ( 0.000 0.988 0.000) 0.988 3.961 ( 0.000 -1.228 0.000) 1.228 3.961 ( 0.000 1.228 0.000) 1.228 4.034 ( 0.000 -0.686 0.000) 0.686 4.034 ( 0.000 0.686 0.000) 0.686 4.247 ( 0.000 -0.100 0.000) 0.100 4.247 ( 0.000 0.100 0.000) 0.100 4.574 ( 0.000 -1.429 0.000) 1.429 4.574 ( 0.000 1.429 0.000) 1.429 4.862 ( 0.000 -1.618 0.000) 1.618 4.862 ( 0.000 1.618 0.000) 1.618 5.226 ( 0.000 -2.140 0.000) 2.140 5.226 ( 0.000 2.140 0.000) 2.140 6.432 ( 0.000 -1.109 0.000) 1.109 6.432 ( 0.000 1.109 0.000) 1.109 8.772 ( 0.000 -1.191 0.000) 1.191 8.772 ( 0.000 1.191 0.000) 1.191 13.128 ( 0.000 -0.157 0.000) 0.157 13.128 ( 0.000 0.157 0.000) 0.157 13.286 ( 0.000 -1.109 0.000) 1.109 13.286 ( 0.000 1.109 0.000) 1.109 13.474 ( 0.000 -1.092 0.000) 1.092 13.474 ( 0.000 1.092 0.000) 1.092 13.556 ( 0.000 -1.148 0.000) 1.148 13.556 ( 0.000 1.148 0.000) 1.148 13.749 ( 0.000 -0.237 0.000) 0.237 13.749 ( 0.000 0.237 0.000) 0.237 ======================= Grid point 20 (12/96) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 2.419 -7.209 2.475) 7.997 0.431 ( 2.419 7.209 2.475) 7.997 0.655 ( 7.853 -8.403 1.450) 11.593 0.655 ( 7.853 8.403 1.450) 11.593 0.821 ( 5.282 -1.089 -0.860) 5.461 0.821 ( 5.282 1.089 -0.860) 5.461 0.960 ( 5.276 -6.292 -0.159) 8.213 0.960 ( 5.276 6.292 -0.159) 8.213 1.079 ( 3.404 -4.045 2.812) 5.988 1.079 ( 3.404 4.045 2.812) 5.988 1.255 ( 3.761 -3.679 -0.640) 5.300 1.255 ( 3.761 3.679 -0.640) 5.300 1.333 ( -1.925 -2.585 0.378) 3.246 1.333 ( -1.925 2.585 0.378) 3.246 1.493 ( 2.128 -1.603 0.739) 2.765 1.493 ( 2.128 1.603 0.739) 2.765 1.654 ( -0.504 -1.864 1.959) 2.751 1.654 ( -0.504 1.864 1.959) 2.751 1.766 ( -4.313 -1.762 1.300) 4.837 1.766 ( -4.313 1.762 1.300) 4.837 1.913 ( 3.093 -1.270 -1.134) 3.530 1.913 ( 3.093 1.270 -1.134) 3.530 1.961 ( 0.523 -1.362 1.114) 1.835 1.961 ( 0.523 1.362 1.114) 1.835 2.108 ( -2.370 -2.593 1.864) 3.977 2.108 ( -2.370 2.593 1.864) 3.977 2.290 ( 0.484 -2.491 -0.939) 2.705 2.290 ( 0.484 2.491 -0.939) 2.705 2.405 ( 0.205 -1.507 -1.927) 2.455 2.405 ( 0.205 1.507 -1.927) 2.455 2.587 ( -1.811 -1.065 -0.153) 2.107 2.587 ( -1.811 1.065 -0.153) 2.107 2.938 ( -0.517 -1.902 -0.418) 2.015 2.938 ( -0.517 1.902 -0.418) 2.015 3.090 ( 0.831 -0.818 -0.323) 1.210 3.090 ( 0.831 0.818 -0.323) 1.210 3.350 ( 4.409 -0.828 -0.544) 4.519 3.350 ( 4.409 0.828 -0.544) 4.519 3.707 ( -4.652 -0.472 -0.751) 4.736 3.707 ( -4.652 0.472 -0.751) 4.736 3.889 ( -4.151 -1.533 0.077) 4.426 3.889 ( -4.151 1.533 0.077) 4.426 4.170 ( 9.217 -0.407 0.229) 9.229 4.170 ( 9.217 0.407 0.229) 9.229 4.272 ( 2.807 -0.392 0.521) 2.881 4.272 ( 2.807 0.392 0.521) 2.881 4.570 ( -0.344 -0.934 -0.411) 1.077 4.570 ( -0.344 0.934 -0.411) 1.077 4.843 ( -2.050 -1.329 0.131) 2.447 4.843 ( -2.050 1.329 0.131) 2.447 5.217 ( -1.563 -2.573 0.124) 3.013 5.217 ( -1.563 2.573 0.124) 3.013 6.434 ( 0.243 -0.791 -0.039) 0.828 6.434 ( 0.243 0.791 -0.039) 0.828 8.754 ( -3.284 -2.163 1.232) 4.121 8.754 ( -3.284 2.163 1.232) 4.121 13.154 ( 2.648 -0.284 0.260) 2.676 13.154 ( 2.648 0.284 0.260) 2.676 13.290 ( 0.203 -0.988 -0.020) 1.009 13.290 ( 0.203 0.988 -0.020) 1.009 13.450 ( -0.606 -1.057 -0.040) 1.220 13.450 ( -0.606 1.057 -0.040) 1.220 13.590 ( 4.278 -3.999 -2.332) 6.303 13.590 ( 4.278 3.999 -2.332) 6.303 13.818 ( 7.410 -0.340 -1.124) 7.503 13.818 ( 7.410 0.340 -1.124) 7.503 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.805 -4.567 -0.937) 4.731 0.476 ( 0.805 4.567 -0.937) 4.731 0.730 ( 1.898 -6.513 0.391) 6.795 0.730 ( 1.898 6.513 0.391) 6.795 0.883 ( 4.173 -3.591 -1.374) 5.674 0.883 ( 4.173 3.591 -1.374) 5.674 1.066 ( 3.423 -1.457 3.220) 4.920 1.066 ( 3.423 1.457 3.220) 4.920 1.211 ( 3.073 -5.231 2.600) 6.601 1.211 ( 3.073 5.231 2.600) 6.601 1.282 ( 0.423 -0.149 0.422) 0.616 1.282 ( 0.423 0.149 0.422) 0.616 1.409 ( 9.438 -0.491 0.631) 9.472 1.409 ( 9.438 0.491 0.631) 9.472 1.564 ( 5.677 -2.308 0.947) 6.201 1.564 ( 5.677 2.308 0.947) 6.201 1.674 ( -2.556 -2.845 1.691) 4.182 1.674 ( -2.556 2.845 1.691) 4.182 1.730 ( 2.174 -5.057 1.517) 5.710 1.730 ( 2.174 5.057 1.517) 5.710 1.930 ( 1.406 -0.825 -1.415) 2.159 1.930 ( 1.406 0.825 -1.415) 2.159 1.979 ( 0.182 -2.654 0.198) 2.667 1.979 ( 0.182 2.654 0.198) 2.667 2.100 ( -2.499 -3.405 3.085) 5.230 2.100 ( -2.499 3.405 3.085) 5.230 2.267 ( -0.643 -2.212 0.394) 2.337 2.267 ( -0.643 2.212 0.394) 2.337 2.442 ( 3.044 -1.693 -1.066) 3.642 2.442 ( 3.044 1.693 -1.066) 3.642 2.543 ( -0.346 -1.774 -0.915) 2.026 2.543 ( -0.346 1.774 -0.915) 2.026 2.920 ( -0.690 -2.030 -0.241) 2.157 2.920 ( -0.690 2.030 -0.241) 2.157 3.110 ( 2.038 -2.020 -1.063) 3.060 3.110 ( 2.038 2.020 -1.063) 3.060 3.432 ( 5.313 -0.244 -0.276) 5.325 3.432 ( 5.313 0.244 -0.276) 5.325 3.580 ( -9.207 -0.801 -0.125) 9.242 3.580 ( -9.207 0.801 -0.125) 9.242 3.836 ( -2.195 -0.593 -0.357) 2.302 3.836 ( -2.195 0.593 -0.357) 2.302 4.248 ( 0.576 -0.864 0.351) 1.096 4.248 ( 0.576 0.864 0.351) 1.096 4.379 ( 8.649 -0.941 -0.950) 8.752 4.379 ( 8.649 0.941 -0.950) 8.752 4.546 ( -1.944 -0.141 -0.527) 2.019 4.546 ( -1.944 0.141 -0.527) 2.019 4.808 ( -1.974 -0.380 0.235) 2.024 4.808 ( -1.974 0.380 0.235) 2.024 5.167 ( -4.258 -2.190 -0.178) 4.791 5.167 ( -4.258 2.190 -0.178) 4.791 6.437 ( 0.193 -0.026 -0.167) 0.257 6.437 ( 0.193 0.026 -0.167) 0.257 8.693 ( -5.303 -2.166 1.107) 5.835 8.693 ( -5.303 2.166 1.107) 5.835 13.209 ( 3.089 -0.352 0.280) 3.121 13.209 ( 3.089 0.352 0.280) 3.121 13.286 ( -0.375 -0.694 -0.405) 0.887 13.286 ( -0.375 0.694 -0.405) 0.887 13.473 ( 3.135 -1.760 -0.189) 3.600 13.473 ( 3.135 1.760 -0.189) 3.600 13.642 ( 4.972 -3.652 -1.624) 6.379 13.642 ( 4.972 3.652 -1.624) 6.379 13.928 ( 7.407 -1.167 -1.957) 7.750 13.928 ( 7.407 1.167 -1.957) 7.750 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.091 -4.479 -2.915) 5.344 0.454 ( 0.091 4.479 -2.915) 5.344 0.752 ( 1.686 -3.213 -1.072) 3.784 0.752 ( 1.686 3.213 -1.072) 3.784 0.940 ( 3.163 -5.101 -0.437) 6.018 0.940 ( 3.163 5.101 -0.437) 6.018 1.116 ( -2.332 -2.030 3.508) 4.675 1.116 ( -2.332 2.030 3.508) 4.675 1.263 ( 3.698 -3.481 0.686) 5.125 1.263 ( 3.698 3.481 0.686) 5.125 1.332 ( 1.521 -4.301 2.391) 5.151 1.332 ( 1.521 4.301 2.391) 5.151 1.493 ( 0.735 -1.644 0.413) 1.848 1.493 ( 0.735 1.644 0.413) 1.848 1.598 ( -3.142 -0.954 -0.571) 3.333 1.598 ( -3.142 0.954 -0.571) 3.333 1.692 ( 3.159 -0.901 2.629) 4.207 1.692 ( 3.159 0.901 2.629) 4.207 1.889 ( 9.604 -3.440 0.271) 10.205 1.889 ( 9.604 3.440 0.271) 10.205 1.938 ( 1.382 -1.298 -0.783) 2.051 1.938 ( 1.382 1.298 -0.783) 2.051 1.979 ( 1.080 -3.158 -1.004) 3.486 1.979 ( 1.080 3.158 -1.004) 3.486 2.088 ( -3.220 -3.846 2.635) 5.666 2.088 ( -3.220 3.846 2.635) 5.666 2.310 ( 4.638 -1.405 0.812) 4.914 2.310 ( 4.638 1.405 0.812) 4.914 2.440 ( 0.280 -4.010 0.743) 4.088 2.440 ( 0.280 4.010 0.743) 4.088 2.587 ( 4.457 -2.450 -0.887) 5.163 2.587 ( 4.457 2.450 -0.887) 5.163 2.920 ( 0.447 -2.127 0.511) 2.233 2.920 ( 0.447 2.127 0.511) 2.233 3.119 ( 0.815 -2.187 -1.406) 2.725 3.119 ( 0.815 2.187 -1.406) 2.725 3.390 ( -11.005 -0.899 0.224) 11.044 3.390 ( -11.005 0.899 0.224) 11.044 3.520 ( 3.229 -1.026 -0.561) 3.434 3.520 ( 3.229 1.026 -0.561) 3.434 3.814 ( 0.276 -0.221 -0.023) 0.354 3.814 ( 0.276 0.221 -0.023) 0.354 4.242 ( -1.060 -0.592 -0.038) 1.215 4.242 ( -1.060 0.592 -0.038) 1.215 4.477 ( 0.850 -1.904 -1.337) 2.477 4.477 ( 0.850 1.904 -1.337) 2.477 4.513 ( 2.760 -0.906 -0.711) 2.991 4.513 ( 2.760 0.906 -0.711) 2.991 4.790 ( -0.534 -0.906 0.203) 1.071 4.790 ( -0.534 0.906 0.203) 1.071 5.079 ( -5.749 -0.880 0.140) 5.818 5.079 ( -5.749 0.880 0.140) 5.818 6.436 ( 0.010 -0.974 -0.250) 1.005 6.436 ( 0.010 0.974 -0.250) 1.005 8.617 ( -4.632 -1.534 0.679) 4.926 8.617 ( -4.632 1.534 0.679) 4.926 13.253 ( 1.018 -0.677 0.350) 1.272 13.253 ( 1.018 0.677 0.350) 1.272 13.274 ( 0.544 -0.745 -0.811) 1.229 13.274 ( 0.544 0.745 -0.811) 1.229 13.531 ( 3.614 -1.891 -0.378) 4.097 13.531 ( 3.614 1.891 -0.378) 4.097 13.713 ( 4.514 -2.632 -0.290) 5.233 13.713 ( 4.514 2.632 -0.290) 5.233 14.013 ( 5.126 -3.152 -1.490) 6.199 14.013 ( 5.126 3.152 -1.490) 6.199 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -0.016 -4.189 -1.468) 4.438 0.425 ( -0.016 4.189 -1.468) 4.438 0.768 ( 1.373 -1.284 -0.776) 2.034 0.768 ( 1.373 1.284 -0.776) 2.034 0.960 ( -0.196 -4.949 0.187) 4.956 0.960 ( -0.196 4.949 0.187) 4.956 1.118 ( -0.628 -0.972 1.341) 1.771 1.118 ( -0.628 0.972 1.341) 1.771 1.334 ( 2.993 -2.263 0.477) 3.783 1.334 ( 2.993 2.263 0.477) 3.783 1.367 ( 0.210 -4.321 0.436) 4.348 1.367 ( 0.210 4.321 0.436) 4.348 1.492 ( -0.700 -1.233 0.775) 1.616 1.492 ( -0.700 1.233 0.775) 1.616 1.544 ( -1.846 -1.825 -0.799) 2.716 1.544 ( -1.846 1.825 -0.799) 2.716 1.762 ( 1.655 -0.889 1.279) 2.273 1.762 ( 1.655 0.889 1.279) 2.273 1.934 ( -0.142 -0.633 0.233) 0.689 1.934 ( -0.142 0.633 0.233) 0.689 1.959 ( 0.418 -1.923 -0.413) 2.011 1.959 ( 0.418 1.923 -0.413) 2.011 2.019 ( 2.591 -0.623 -0.714) 2.759 2.019 ( 2.591 0.623 -0.714) 2.759 2.064 ( -1.775 -2.821 1.110) 3.513 2.064 ( -1.775 2.821 1.110) 3.513 2.353 ( 0.141 -4.073 0.011) 4.076 2.353 ( 0.141 4.073 0.011) 4.076 2.559 ( 8.519 -1.018 1.016) 8.639 2.559 ( 8.519 1.018 1.016) 8.639 2.630 ( 1.585 -1.910 -0.593) 2.552 2.630 ( 1.585 1.910 -0.593) 2.552 2.920 ( -1.511 -1.105 -0.199) 1.883 2.920 ( -1.511 1.105 -0.199) 1.883 3.124 ( 1.536 -0.686 0.684) 1.816 3.124 ( 1.536 0.686 0.684) 1.816 3.219 ( -8.019 -1.649 -0.363) 8.195 3.219 ( -8.019 1.649 -0.363) 8.195 3.545 ( 0.824 -1.741 -0.627) 2.026 3.545 ( 0.824 1.741 -0.627) 2.026 3.835 ( 1.200 -0.236 0.199) 1.239 3.835 ( 1.200 0.236 0.199) 1.239 4.225 ( -0.577 -0.144 -0.091) 0.602 4.225 ( -0.577 0.144 -0.091) 0.602 4.437 ( -1.698 -1.605 -0.203) 2.345 4.437 ( -1.698 1.605 -0.203) 2.345 4.573 ( 3.070 -0.016 -0.869) 3.190 4.573 ( 3.070 0.016 -0.869) 3.190 4.788 ( -0.038 -1.447 0.023) 1.447 4.788 ( -0.038 1.447 0.023) 1.447 5.000 ( -3.193 -0.780 0.296) 3.300 5.000 ( -3.193 0.780 0.296) 3.300 6.433 ( -0.031 -1.603 -0.121) 1.608 6.433 ( -0.031 1.603 -0.121) 1.608 8.566 ( -1.803 -1.080 0.231) 2.114 8.566 ( -1.803 1.080 0.231) 2.114 13.249 ( -0.376 -0.699 -0.105) 0.800 13.249 ( -0.376 0.699 -0.105) 0.800 13.290 ( 0.877 -0.416 -0.138) 0.981 13.290 ( 0.877 0.416 -0.138) 0.981 13.572 ( 1.497 -1.882 -0.223) 2.415 13.572 ( 1.497 1.882 -0.223) 2.415 13.770 ( 1.839 -1.070 0.141) 2.132 13.770 ( 1.839 1.070 0.141) 2.132 14.060 ( 1.854 -4.339 -0.544) 4.750 14.060 ( 1.854 4.339 -0.544) 4.750 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( -8.648 0.000 11.277) 14.211 0.243 ( 0.906 0.000 11.643) 11.678 0.389 ( 3.821 0.000 19.537) 19.907 0.614 ( -2.076 0.000 -4.117) 4.610 0.745 ( 1.507 0.000 1.723) 2.289 0.805 ( 0.893 0.000 0.725) 1.150 0.869 ( 1.687 0.000 5.747) 5.989 0.900 ( 2.193 0.000 -2.816) 3.569 1.083 ( 1.683 0.000 -2.260) 2.817 1.106 ( -1.221 0.000 -0.061) 1.222 1.188 ( -1.144 0.000 0.962) 1.495 1.327 ( 1.206 0.000 0.790) 1.442 1.373 ( 1.256 0.000 0.211) 1.274 1.444 ( 0.057 0.000 0.402) 0.406 1.449 ( 0.354 0.000 1.499) 1.540 1.583 ( -0.102 0.000 0.257) 0.277 1.605 ( 0.554 0.000 -2.479) 2.540 1.695 ( 1.794 0.000 -0.513) 1.866 1.739 ( -1.560 0.000 0.296) 1.588 1.744 ( 1.037 0.000 0.584) 1.190 1.876 ( 0.879 0.000 -1.921) 2.112 1.982 ( 0.316 0.000 1.219) 1.259 1.982 ( 0.018 0.000 3.348) 3.348 2.045 ( 0.408 0.000 -1.436) 1.493 2.088 ( 1.899 0.000 0.316) 1.925 2.136 ( -1.617 0.000 -2.441) 2.928 2.228 ( -1.785 0.000 0.377) 1.825 2.278 ( -2.815 0.000 3.243) 4.294 2.377 ( 8.123 0.000 -2.718) 8.566 2.383 ( -1.237 0.000 -1.060) 1.629 2.561 ( 0.323 0.000 -0.894) 0.951 2.591 ( 0.962 0.000 -0.403) 1.043 2.896 ( -0.474 0.000 0.802) 0.932 2.977 ( -0.260 0.000 -0.294) 0.392 3.069 ( -0.138 0.000 -1.067) 1.076 3.095 ( 0.971 0.000 -0.531) 1.107 3.313 ( -12.314 0.000 0.336) 12.319 3.337 ( -0.156 0.000 0.255) 0.299 3.701 ( 0.415 0.000 0.370) 0.556 3.774 ( -5.563 0.000 0.137) 5.565 3.945 ( -1.230 0.000 1.048) 1.616 4.010 ( 0.077 0.000 -0.321) 0.331 4.018 ( 5.594 0.000 0.459) 5.613 4.044 ( 2.267 0.000 -0.406) 2.303 4.249 ( -0.207 0.000 0.405) 0.455 4.256 ( 0.828 0.000 0.575) 1.008 4.564 ( -6.647 0.000 0.363) 6.657 4.602 ( -0.310 0.000 -0.152) 0.345 4.824 ( 0.952 0.000 0.335) 1.009 4.898 ( -0.375 0.000 -0.559) 0.673 5.177 ( 0.006 0.000 0.600) 0.600 5.302 ( 3.035 0.000 -0.986) 3.191 6.406 ( 0.554 0.000 0.278) 0.620 6.454 ( -0.227 0.000 -0.569) 0.612 8.733 ( -0.309 0.000 1.558) 1.588 8.904 ( 5.131 0.000 -0.738) 5.184 13.118 ( -0.205 0.000 0.505) 0.545 13.124 ( -0.468 0.000 1.538) 1.608 13.281 ( 0.018 0.000 0.424) 0.424 13.295 ( 1.103 0.000 -2.334) 2.582 13.363 ( -1.210 0.000 1.046) 1.600 13.450 ( 2.117 0.000 -2.539) 3.306 13.530 ( -3.955 0.000 1.715) 4.311 13.594 ( -10.180 0.000 -0.024) 10.180 13.718 ( -0.894 0.000 -2.318) 2.485 13.747 ( 2.884 0.000 -0.876) 3.014 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 1.320 0.000 3.024) 3.300 0.452 ( 8.948 0.000 8.681) 12.467 0.610 ( 2.011 0.000 4.501) 4.930 0.681 ( 8.170 0.000 2.624) 8.582 0.827 ( 3.553 0.000 2.528) 4.361 0.924 ( 2.310 0.000 1.321) 2.661 0.952 ( 9.044 0.000 2.592) 9.409 1.008 ( 18.687 0.000 -2.317) 18.830 1.078 ( -3.018 0.000 1.490) 3.365 1.086 ( 3.211 0.000 -1.808) 3.685 1.211 ( 2.538 0.000 1.486) 2.942 1.328 ( -3.589 0.000 0.109) 3.591 1.368 ( 2.002 0.000 1.508) 2.506 1.431 ( -1.995 0.000 0.393) 2.033 1.500 ( 2.105 0.000 1.186) 2.416 1.587 ( 0.725 0.000 1.922) 2.054 1.593 ( 2.085 0.000 -3.013) 3.664 1.671 ( -2.698 0.000 1.302) 2.995 1.753 ( -0.128 0.000 0.730) 0.741 1.766 ( 0.219 0.000 1.104) 1.126 1.870 ( 2.005 0.000 -2.044) 2.863 1.968 ( -2.416 0.000 0.157) 2.421 2.017 ( -1.438 0.000 -0.253) 1.460 2.045 ( -6.393 0.000 3.633) 7.353 2.061 ( 3.713 0.000 2.593) 4.528 2.177 ( 5.822 0.000 0.290) 5.829 2.189 ( -3.000 0.000 -0.530) 3.046 2.258 ( -2.335 0.000 2.636) 3.522 2.363 ( 1.232 0.000 -0.591) 1.367 2.377 ( 1.895 0.000 -2.569) 3.192 2.560 ( 0.575 0.000 -4.657) 4.692 2.591 ( -0.733 0.000 -0.094) 0.739 2.891 ( -2.577 0.000 1.462) 2.963 2.962 ( -0.629 0.000 -0.420) 0.756 3.055 ( 0.259 0.000 -1.148) 1.177 3.126 ( 3.051 0.000 -0.987) 3.207 3.327 ( 6.481 0.000 -0.887) 6.542 3.364 ( 2.910 0.000 0.125) 2.913 3.690 ( -6.384 0.000 -0.348) 6.393 3.693 ( -2.942 0.000 0.944) 3.090 3.872 ( -4.763 0.000 0.876) 4.843 3.937 ( -5.575 0.000 -0.447) 5.593 4.179 ( 9.624 0.000 -0.160) 9.625 4.189 ( 10.407 0.000 -2.427) 10.686 4.247 ( -0.516 0.000 0.417) 0.663 4.290 ( 2.292 0.000 0.415) 2.330 4.542 ( -0.035 0.000 0.199) 0.202 4.583 ( -1.790 0.000 -0.095) 1.793 4.833 ( -0.719 0.000 1.154) 1.360 4.863 ( -2.451 0.000 -1.085) 2.681 5.174 ( -1.607 0.000 1.050) 1.919 5.283 ( -1.688 0.000 -2.837) 3.301 6.426 ( 1.007 0.000 0.618) 1.181 6.438 ( -0.469 0.000 -0.975) 1.082 8.721 ( -3.504 0.000 1.824) 3.950 8.870 ( -4.955 0.000 -0.577) 4.988 13.146 ( 2.524 0.000 0.560) 2.586 13.156 ( 1.660 0.000 1.745) 2.408 13.285 ( -0.140 0.000 0.247) 0.284 13.290 ( 1.393 0.000 -2.306) 2.694 13.367 ( 0.813 0.000 0.410) 0.910 13.440 ( 1.833 0.000 -1.076) 2.125 13.532 ( 2.027 0.000 1.496) 2.519 13.697 ( 11.693 0.000 -6.554) 13.405 13.703 ( 2.145 0.000 -1.632) 2.695 13.824 ( 7.448 0.000 -1.188) 7.542 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -1.523 0.000 0.563) 1.624 0.631 ( 0.378 0.000 3.450) 3.470 0.709 ( 2.208 0.000 0.257) 2.223 0.732 ( 2.303 0.000 6.285) 6.694 0.878 ( 2.128 0.000 -3.024) 3.698 0.939 ( 2.497 0.000 -3.499) 4.299 1.047 ( -2.507 0.000 1.287) 2.818 1.127 ( 6.578 0.000 0.766) 6.623 1.202 ( 2.482 0.000 -0.954) 2.658 1.237 ( 6.002 0.000 -1.125) 6.106 1.318 ( 4.915 0.000 2.749) 5.631 1.401 ( 18.461 0.000 -0.574) 18.470 1.413 ( -0.339 0.000 2.290) 2.315 1.431 ( 2.752 0.000 1.929) 3.361 1.519 ( 1.290 0.000 0.142) 1.297 1.570 ( -0.450 0.000 -1.803) 1.858 1.698 ( 7.874 0.000 3.527) 8.628 1.709 ( -2.210 0.000 1.993) 2.976 1.717 ( 3.754 0.000 -0.868) 3.853 1.772 ( -0.675 0.000 0.434) 0.802 1.903 ( 3.450 0.000 -1.163) 3.641 1.922 ( -2.431 0.000 -0.915) 2.597 1.985 ( -2.225 0.000 0.060) 2.226 2.008 ( -3.389 0.000 3.200) 4.661 2.122 ( -3.685 0.000 -0.766) 3.763 2.141 ( 3.600 0.000 -0.485) 3.632 2.252 ( 2.471 0.000 0.477) 2.516 2.259 ( -1.220 0.000 3.450) 3.660 2.376 ( -1.737 0.000 -0.065) 1.738 2.429 ( 6.309 0.000 -0.237) 6.314 2.544 ( 5.235 0.000 -3.522) 6.309 2.570 ( -1.593 0.000 0.306) 1.622 2.867 ( -2.016 0.000 1.576) 2.559 2.960 ( 0.485 0.000 0.723) 0.871 3.053 ( 0.918 0.000 -0.850) 1.251 3.156 ( 2.300 0.000 -1.708) 2.865 3.419 ( 5.437 0.000 -1.398) 5.614 3.423 ( 3.529 0.000 -0.441) 3.557 3.554 ( -9.589 0.000 0.361) 9.595 3.617 ( -7.144 0.000 1.333) 7.267 3.830 ( -1.788 0.000 0.870) 1.989 3.842 ( -4.361 0.000 -0.238) 4.368 4.236 ( -0.627 0.000 0.127) 0.640 4.254 ( 0.985 0.000 -1.794) 2.046 4.332 ( 8.737 0.000 -1.167) 8.815 4.368 ( 7.216 0.000 -1.089) 7.298 4.536 ( -0.764 0.000 -0.213) 0.793 4.542 ( -3.140 0.000 0.407) 3.166 4.800 ( -2.896 0.000 -1.226) 3.145 4.835 ( -0.857 0.000 1.489) 1.718 5.148 ( -3.484 0.000 1.652) 3.855 5.195 ( -4.750 0.000 -2.347) 5.298 6.416 ( -0.640 0.000 -1.028) 1.211 6.450 ( 0.964 0.000 0.512) 1.092 8.665 ( -5.181 0.000 1.474) 5.386 8.763 ( -6.521 0.000 -0.490) 6.539 13.202 ( 2.972 0.000 0.589) 3.029 13.211 ( 2.022 0.000 1.705) 2.645 13.277 ( 0.173 0.000 -1.890) 1.898 13.281 ( -0.479 0.000 0.068) 0.484 13.404 ( 3.469 0.000 -0.396) 3.492 13.482 ( 4.159 0.000 -0.810) 4.238 13.615 ( 4.695 0.000 2.439) 5.291 13.752 ( 4.524 0.000 0.206) 4.528 13.778 ( 7.671 0.000 -6.222) 9.877 13.950 ( 9.054 0.000 -1.654) 9.204 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.371 0.000 1.830) 1.867 0.596 ( -1.366 0.000 -1.328) 1.905 0.795 ( 1.665 0.000 3.369) 3.758 0.804 ( -0.604 0.000 2.876) 2.938 0.877 ( 3.868 0.000 -3.676) 5.336 0.929 ( 0.468 0.000 -3.027) 3.063 1.038 ( 2.831 0.000 -2.126) 3.540 1.169 ( -3.752 0.000 -0.571) 3.796 1.195 ( -0.940 0.000 0.057) 0.942 1.274 ( 4.368 0.000 2.131) 4.860 1.368 ( 0.823 0.000 -1.599) 1.798 1.478 ( -0.227 0.000 1.855) 1.869 1.516 ( 3.716 0.000 0.434) 3.742 1.560 ( 3.053 0.000 1.161) 3.266 1.567 ( 0.038 0.000 2.684) 2.684 1.621 ( -2.597 0.000 -3.380) 4.262 1.629 ( 8.185 0.000 -0.858) 8.230 1.763 ( 0.068 0.000 -0.037) 0.078 1.849 ( -1.563 0.000 -2.094) 2.613 1.873 ( 9.036 0.000 0.497) 9.049 1.936 ( 6.092 0.000 1.624) 6.305 1.940 ( 2.259 0.000 -0.743) 2.378 1.950 ( 0.965 0.000 2.085) 2.297 2.002 ( -0.770 0.000 1.512) 1.697 2.061 ( -0.638 0.000 -1.616) 1.738 2.142 ( -0.345 0.000 -3.123) 3.142 2.280 ( -5.007 0.000 3.217) 5.951 2.292 ( 3.712 0.000 -1.244) 3.915 2.402 ( 7.950 0.000 2.617) 8.369 2.524 ( 5.099 0.000 -0.709) 5.148 2.561 ( 0.508 0.000 0.414) 0.655 2.617 ( 5.618 0.000 -2.035) 5.976 2.866 ( -0.191 0.000 1.079) 1.096 2.982 ( -0.725 0.000 1.407) 1.583 3.072 ( 2.119 0.000 0.471) 2.170 3.165 ( 0.982 0.000 -0.867) 1.310 3.366 ( -12.328 0.000 0.062) 12.328 3.403 ( -7.241 0.000 -0.239) 7.245 3.472 ( 2.041 0.000 -1.104) 2.320 3.554 ( 0.777 0.000 0.029) 0.778 3.808 ( 0.323 0.000 0.336) 0.466 3.826 ( 0.143 0.000 0.730) 0.744 4.226 ( -0.635 0.000 0.085) 0.641 4.227 ( -1.067 0.000 -1.339) 1.712 4.436 ( 2.614 0.000 0.378) 2.641 4.477 ( 6.941 0.000 -0.807) 6.988 4.500 ( 0.119 0.000 -0.880) 0.888 4.508 ( -2.223 0.000 -0.107) 2.226 4.754 ( -0.702 0.000 -0.852) 1.104 4.842 ( -0.391 0.000 1.208) 1.270 5.075 ( -6.466 0.000 -1.418) 6.620 5.097 ( -4.931 0.000 1.758) 5.235 6.396 ( -0.442 0.000 -0.533) 0.693 6.468 ( 0.608 0.000 0.176) 0.633 8.594 ( -4.558 0.000 0.752) 4.620 8.655 ( -5.148 0.000 -0.578) 5.180 13.238 ( -0.891 0.000 0.284) 0.935 13.251 ( 1.742 0.000 0.376) 1.782 13.276 ( -0.250 0.000 0.507) 0.565 13.276 ( 1.931 0.000 -0.057) 1.931 13.463 ( 3.769 0.000 -0.498) 3.802 13.548 ( 3.976 0.000 -0.121) 3.978 13.731 ( 4.637 0.000 2.417) 5.229 13.816 ( 4.819 0.000 -4.094) 6.324 13.840 ( 3.907 0.000 1.300) 4.118 14.072 ( 7.465 0.000 -1.645) 7.644 ======================= Grid point 49 (20/96) ======================= q-point: ( 0.44 0.00 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 0.219 0.000 4.016) 4.022 0.588 ( 0.377 0.000 1.101) 1.164 0.778 ( -1.617 0.000 -3.915) 4.236 0.830 ( -1.094 0.000 1.828) 2.130 0.905 ( 0.262 0.000 0.117) 0.287 0.929 ( 6.152 0.000 -2.334) 6.580 1.089 ( 5.203 0.000 -1.610) 5.446 1.092 ( -3.524 0.000 0.600) 3.575 1.192 ( -0.594 0.000 0.995) 1.159 1.340 ( -0.900 0.000 -2.839) 2.978 1.369 ( 1.723 0.000 2.178) 2.777 1.470 ( -2.469 0.000 0.576) 2.535 1.497 ( -1.567 0.000 -3.328) 3.678 1.541 ( 0.058 0.000 -2.506) 2.507 1.588 ( 0.307 0.000 -1.039) 1.083 1.647 ( 1.742 0.000 2.677) 3.194 1.721 ( 3.876 0.000 -2.325) 4.520 1.768 ( 0.181 0.000 -1.590) 1.600 1.799 ( 0.134 0.000 0.298) 0.326 1.894 ( -4.161 0.000 2.125) 4.672 1.939 ( 1.395 0.000 -2.023) 2.457 1.997 ( 2.561 0.000 1.177) 2.819 2.003 ( -0.357 0.000 -0.763) 0.842 2.016 ( 0.808 0.000 -0.395) 0.899 2.087 ( 0.038 0.000 -3.629) 3.630 2.103 ( 1.186 0.000 0.264) 1.215 2.230 ( -4.430 0.000 3.352) 5.555 2.366 ( 6.318 0.000 -2.537) 6.809 2.570 ( 0.747 0.000 1.076) 1.310 2.615 ( 10.325 0.000 2.017) 10.520 2.622 ( 6.061 0.000 -1.374) 6.215 2.651 ( 0.546 0.000 -1.706) 1.792 2.877 ( 0.539 0.000 0.454) 0.705 2.951 ( -4.426 0.000 2.096) 4.897 3.127 ( 2.146 0.000 0.710) 2.260 3.129 ( -10.149 0.000 -0.187) 10.151 3.198 ( 0.186 0.000 -0.360) 0.405 3.253 ( -6.591 0.000 -1.401) 6.738 3.492 ( 1.391 0.000 0.222) 1.409 3.587 ( 1.755 0.000 0.088) 1.758 3.831 ( 0.699 0.000 0.383) 0.797 3.842 ( 0.531 0.000 0.197) 0.567 4.206 ( 0.050 0.000 -0.238) 0.244 4.219 ( -0.272 0.000 -0.126) 0.300 4.410 ( -3.527 0.000 1.296) 3.758 4.472 ( -1.186 0.000 -0.086) 1.189 4.556 ( 4.616 0.000 -0.604) 4.655 4.573 ( 3.813 0.000 0.449) 3.839 4.757 ( 1.213 0.000 -0.048) 1.214 4.841 ( -0.887 0.000 0.047) 0.888 4.969 ( -3.523 0.000 -0.262) 3.533 5.035 ( -3.916 0.000 0.992) 4.040 6.392 ( 0.109 0.000 0.300) 0.319 6.474 ( 0.110 0.000 -0.216) 0.243 8.541 ( -2.096 0.000 0.041) 2.096 8.587 ( -1.722 0.000 -0.638) 1.836 13.227 ( -0.357 0.000 0.141) 0.383 13.263 ( -0.041 0.000 0.184) 0.189 13.290 ( 0.079 0.000 0.863) 0.866 13.306 ( 0.616 0.000 0.886) 1.079 13.508 ( 1.845 0.000 -0.197) 1.855 13.601 ( 1.735 0.000 0.617) 1.841 13.777 ( 0.681 0.000 -2.279) 2.379 13.880 ( 3.753 0.000 2.568) 4.548 13.891 ( 0.677 0.000 0.332) 0.754 14.150 ( 3.456 0.000 -1.051) 3.612 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -2.755 0.000 5.632) 6.270 0.621 ( 0.692 0.000 2.029) 2.143 0.699 ( -0.392 0.000 -4.739) 4.755 0.805 ( -3.806 0.000 0.801) 3.890 0.937 ( 2.388 0.000 0.624) 2.468 0.978 ( 0.895 0.000 -0.714) 1.145 1.119 ( 4.209 0.000 2.576) 4.934 1.149 ( 0.970 0.000 0.020) 0.970 1.181 ( -0.768 0.000 0.518) 0.927 1.271 ( -1.784 0.000 -4.222) 4.584 1.316 ( -2.963 0.000 -4.848) 5.682 1.424 ( -1.639 0.000 -1.652) 2.327 1.494 ( 0.111 0.000 -0.865) 0.872 1.514 ( 0.748 0.000 -0.253) 0.789 1.551 ( -1.923 0.000 -2.565) 3.206 1.672 ( -0.475 0.000 -5.074) 5.096 1.696 ( 1.069 0.000 1.818) 2.109 1.777 ( -3.592 0.000 0.563) 3.636 1.807 ( 3.031 0.000 -0.344) 3.050 1.906 ( 2.012 0.000 1.983) 2.825 1.918 ( -1.293 0.000 -1.878) 2.280 1.962 ( -4.187 0.000 -1.638) 4.496 1.976 ( -1.805 0.000 -1.667) 2.457 2.027 ( 0.012 0.000 0.277) 0.277 2.095 ( -0.608 0.000 -0.464) 0.765 2.106 ( 5.275 0.000 -2.263) 5.740 2.225 ( -1.034 0.000 2.959) 3.134 2.393 ( -0.730 0.000 -0.902) 1.160 2.532 ( -12.642 0.000 -1.900) 12.784 2.572 ( -3.517 0.000 1.220) 3.723 2.613 ( -4.736 0.000 -1.074) 4.857 2.697 ( -0.745 0.000 -0.021) 0.745 2.892 ( -2.393 0.000 1.514) 2.831 2.947 ( 1.152 0.000 0.516) 1.262 3.091 ( 9.625 0.000 -0.630) 9.645 3.115 ( -2.000 0.000 0.996) 2.235 3.232 ( 2.488 0.000 0.456) 2.529 3.251 ( 7.370 0.000 -1.594) 7.540 3.523 ( 0.432 0.000 1.615) 1.672 3.596 ( -1.486 0.000 0.353) 1.527 3.823 ( -1.548 0.000 0.052) 1.549 3.835 ( -1.333 0.000 -0.104) 1.337 4.212 ( 0.015 0.000 -0.458) 0.458 4.224 ( 1.755 0.000 0.423) 1.805 4.397 ( 0.844 0.000 0.647) 1.064 4.476 ( 1.416 0.000 -0.044) 1.417 4.593 ( -2.478 0.000 1.101) 2.712 4.596 ( -1.049 0.000 1.153) 1.559 4.767 ( 0.030 0.000 0.608) 0.608 4.814 ( -1.137 0.000 -1.192) 1.647 5.001 ( 6.014 0.000 1.474) 6.192 5.007 ( 0.609 0.000 -0.513) 0.796 6.406 ( 0.629 0.000 0.946) 1.136 6.466 ( -0.409 0.000 -0.584) 0.713 8.530 ( 1.033 0.000 -0.418) 1.114 8.585 ( 2.390 0.000 -0.720) 2.496 13.229 ( 0.026 0.000 0.326) 0.327 13.266 ( 0.153 0.000 0.229) 0.276 13.286 ( -1.661 0.000 0.637) 1.779 13.317 ( -0.757 0.000 1.218) 1.434 13.514 ( -1.021 0.000 0.091) 1.025 13.614 ( -1.329 0.000 0.733) 1.518 13.731 ( -2.557 0.000 -1.902) 3.187 13.873 ( -2.322 0.000 -0.563) 2.389 13.971 ( 1.419 0.000 5.002) 5.199 14.154 ( -1.536 0.000 -1.105) 1.892 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -3.883 0.000 5.705) 6.901 0.625 ( -3.541 0.000 -1.637) 3.901 0.646 ( -1.518 0.000 -2.267) 2.729 0.722 ( -4.702 0.000 -0.177) 4.705 0.957 ( -1.215 0.000 -1.343) 1.812 0.967 ( 0.582 0.000 -2.869) 2.927 1.091 ( -4.866 0.000 2.348) 5.403 1.172 ( 1.341 0.000 -3.454) 3.705 1.209 ( -2.791 0.000 -0.919) 2.939 1.212 ( 1.096 0.000 0.498) 1.204 1.304 ( 6.574 0.000 1.207) 6.684 1.371 ( -0.540 0.000 -4.390) 4.423 1.444 ( -3.490 0.000 -1.956) 4.001 1.502 ( -0.217 0.000 -0.908) 0.934 1.533 ( -1.507 0.000 1.585) 2.187 1.596 ( -2.730 0.000 -3.058) 4.099 1.727 ( -0.858 0.000 -1.899) 2.084 1.730 ( 0.781 0.000 0.960) 1.237 1.817 ( -9.451 0.000 -0.991) 9.503 1.828 ( -9.159 0.000 -1.390) 9.263 1.862 ( -1.663 0.000 -1.050) 1.967 1.873 ( -1.765 0.000 -3.365) 3.800 1.963 ( 2.242 0.000 0.788) 2.377 2.018 ( -2.000 0.000 1.198) 2.331 2.099 ( 1.473 0.000 0.090) 1.476 2.151 ( 1.119 0.000 -2.671) 2.896 2.216 ( -4.233 0.000 -0.284) 4.243 2.314 ( -6.377 0.000 0.924) 6.443 2.343 ( -0.918 0.000 0.304) 0.967 2.519 ( 0.532 0.000 -1.296) 1.401 2.542 ( -4.874 0.000 0.480) 4.898 2.659 ( -2.455 0.000 -0.998) 2.650 2.878 ( -1.689 0.000 2.876) 3.335 2.950 ( 0.098 0.000 -0.451) 0.461 3.113 ( -1.472 0.000 1.858) 2.370 3.205 ( 0.341 0.000 0.574) 0.668 3.361 ( 12.942 0.000 0.555) 12.954 3.401 ( 10.437 0.000 -0.604) 10.455 3.520 ( -2.917 0.000 0.858) 3.040 3.539 ( -4.285 0.000 -0.723) 4.345 3.813 ( -0.843 0.000 0.035) 0.844 3.814 ( 0.711 0.000 0.838) 1.099 4.212 ( 0.686 0.000 -0.581) 0.899 4.260 ( 1.681 0.000 -0.061) 1.682 4.436 ( 1.105 0.000 0.597) 1.257 4.478 ( -2.869 0.000 -0.342) 2.890 4.547 ( -4.707 0.000 0.796) 4.774 4.567 ( -0.064 0.000 1.614) 1.616 4.781 ( -0.395 0.000 -1.818) 1.860 4.798 ( 1.791 0.000 1.893) 2.606 5.045 ( 4.422 0.000 -0.828) 4.499 5.147 ( 7.578 0.000 1.880) 7.807 6.431 ( 0.742 0.000 1.030) 1.269 6.447 ( -0.806 0.000 -0.819) 1.149 8.564 ( 3.528 0.000 -0.453) 3.557 8.643 ( 5.479 0.000 -1.074) 5.583 13.222 ( -1.597 0.000 0.153) 1.605 13.250 ( -3.083 0.000 0.313) 3.098 13.273 ( 0.289 0.000 0.091) 0.303 13.317 ( -0.590 0.000 1.023) 1.181 13.479 ( -3.285 0.000 0.416) 3.311 13.572 ( -3.545 0.000 -0.731) 3.620 13.661 ( -4.612 0.000 0.772) 4.676 13.815 ( -3.382 0.000 -0.450) 3.412 14.053 ( -0.345 0.000 7.231) 7.239 14.075 ( -5.550 0.000 -1.718) 5.810 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -12.512 0.000 -6.083) 13.912 0.432 ( -8.646 0.000 0.488) 8.659 0.629 ( 0.023 0.000 4.413) 4.413 0.699 ( -0.229 0.000 -0.600) 0.642 0.859 ( -4.281 0.000 -6.119) 7.467 0.922 ( -0.435 0.000 -2.483) 2.521 1.094 ( -1.035 0.000 2.923) 3.100 1.103 ( -7.792 0.000 -0.843) 7.837 1.159 ( -9.720 0.000 -1.785) 9.882 1.210 ( -1.727 0.000 0.386) 1.770 1.287 ( -5.863 0.000 1.160) 5.977 1.319 ( -0.121 0.000 -3.088) 3.091 1.422 ( 1.671 0.000 3.207) 3.616 1.444 ( -17.985 0.000 0.373) 17.989 1.517 ( -3.437 0.000 -1.024) 3.586 1.528 ( 4.036 0.000 -1.872) 4.449 1.558 ( -3.322 0.000 -1.465) 3.631 1.693 ( -2.979 0.000 1.146) 3.192 1.706 ( 1.706 0.000 -2.667) 3.165 1.732 ( -1.061 0.000 -0.630) 1.234 1.830 ( 1.941 0.000 -3.593) 4.084 1.896 ( 2.711 0.000 -0.165) 2.716 1.995 ( -3.426 0.000 2.774) 4.408 1.996 ( 1.385 0.000 -0.243) 1.406 2.070 ( -2.927 0.000 -2.851) 4.087 2.127 ( 1.647 0.000 -0.795) 1.829 2.197 ( 0.511 0.000 -0.723) 0.885 2.268 ( -1.647 0.000 1.510) 2.235 2.406 ( 3.395 0.000 0.807) 3.489 2.450 ( -5.722 0.000 1.025) 5.813 2.546 ( 2.882 0.000 -0.979) 3.044 2.608 ( -0.553 0.000 -2.011) 2.086 2.903 ( -1.052 0.000 4.476) 4.598 2.956 ( 0.812 0.000 0.038) 0.813 3.102 ( -1.769 0.000 1.028) 2.046 3.177 ( -2.662 0.000 -0.836) 2.790 3.431 ( -4.709 0.000 -0.231) 4.715 3.454 ( -3.061 0.000 -0.116) 3.063 3.580 ( 8.366 0.000 -0.465) 8.379 3.603 ( 11.191 0.000 2.898) 11.561 3.809 ( 0.859 0.000 -0.450) 0.970 3.865 ( 3.518 0.000 0.976) 3.651 4.219 ( 0.859 0.000 -0.531) 1.010 4.270 ( 0.071 0.000 -0.732) 0.736 4.349 ( -9.647 0.000 -0.247) 9.650 4.388 ( -5.885 0.000 -1.053) 5.979 4.554 ( 2.643 0.000 0.804) 2.762 4.626 ( 2.543 0.000 3.610) 4.415 4.768 ( 1.691 0.000 -1.734) 2.422 4.860 ( 1.864 0.000 2.560) 3.167 5.112 ( 3.811 0.000 -0.246) 3.819 5.274 ( 5.475 0.000 0.086) 5.476 6.423 ( -0.852 0.000 -0.721) 1.116 6.452 ( 0.427 0.000 0.604) 0.739 8.629 ( 4.256 0.000 0.009) 4.256 8.725 ( 5.922 0.000 -2.121) 6.290 13.181 ( -3.309 0.000 0.430) 3.336 13.193 ( -3.751 0.000 0.101) 3.752 13.277 ( 0.152 0.000 -0.111) 0.189 13.319 ( 0.086 0.000 -0.298) 0.310 13.425 ( -3.933 0.000 0.998) 4.058 13.497 ( -3.102 0.000 -1.364) 3.389 13.599 ( -5.108 0.000 2.381) 5.635 13.760 ( -2.328 0.000 -0.343) 2.353 13.940 ( -7.137 0.000 -2.167) 7.459 14.145 ( -0.235 0.000 9.043) 9.046 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( -8.456 0.000 8.404) 11.922 0.248 ( -12.599 0.000 3.240) 13.009 0.569 ( -24.717 0.000 2.942) 24.892 0.719 ( -2.055 0.000 -1.427) 2.502 0.734 ( 1.146 0.000 3.239) 3.436 0.778 ( -10.063 0.000 0.453) 10.073 0.896 ( 1.878 0.000 -4.624) 4.991 1.000 ( -16.807 0.000 -1.445) 16.869 1.089 ( 0.146 0.000 -2.045) 2.050 1.133 ( -3.916 0.000 0.623) 3.966 1.201 ( -2.266 0.000 1.537) 2.738 1.297 ( -0.106 0.000 2.577) 2.579 1.314 ( 0.226 0.000 -0.774) 0.807 1.446 ( 0.053 0.000 0.116) 0.127 1.459 ( -2.537 0.000 0.344) 2.560 1.570 ( 1.180 0.000 0.242) 1.204 1.590 ( 3.201 0.000 -1.437) 3.508 1.688 ( -0.225 0.000 0.309) 0.383 1.719 ( 2.162 0.000 -0.976) 2.372 1.732 ( 1.933 0.000 0.996) 2.175 1.848 ( 3.394 0.000 0.676) 3.461 1.942 ( 2.677 0.000 0.241) 2.688 1.976 ( -2.390 0.000 2.201) 3.249 2.001 ( -3.559 0.000 3.351) 4.889 2.017 ( 1.939 0.000 -0.385) 1.977 2.119 ( -1.299 0.000 -1.206) 1.773 2.201 ( 1.673 0.000 -1.332) 2.139 2.253 ( -2.337 0.000 1.107) 2.586 2.404 ( -1.465 0.000 0.878) 1.708 2.413 ( -2.362 0.000 -1.134) 2.620 2.576 ( 1.944 0.000 -0.964) 2.170 2.610 ( 3.068 0.000 -3.133) 4.385 2.926 ( -2.529 0.000 2.815) 3.784 2.972 ( 0.845 0.000 0.023) 0.845 3.085 ( -0.858 0.000 -0.127) 0.867 3.117 ( -2.272 0.000 -1.136) 2.540 3.363 ( -2.991 0.000 0.080) 2.993 3.435 ( 0.568 0.000 0.917) 1.079 3.675 ( 3.053 0.000 -0.137) 3.056 3.796 ( 6.541 0.000 2.228) 6.910 3.855 ( 5.407 0.000 0.157) 5.409 3.945 ( 5.151 0.000 -0.059) 5.151 4.156 ( -8.813 0.000 -1.257) 8.902 4.239 ( -5.655 0.000 -4.573) 7.272 4.245 ( -0.347 0.000 0.517) 0.623 4.262 ( -3.180 0.000 -1.738) 3.624 4.595 ( 1.153 0.000 0.288) 1.189 4.726 ( 3.408 0.000 0.604) 3.461 4.793 ( 2.618 0.000 -0.687) 2.707 4.908 ( 0.158 0.000 1.280) 1.290 5.159 ( 1.710 0.000 0.189) 1.721 5.302 ( 0.264 0.000 -5.075) 5.082 6.406 ( -0.376 0.000 -0.297) 0.479 6.459 ( 0.039 0.000 -0.005) 0.039 8.696 ( 2.771 0.000 0.809) 2.886 8.774 ( 3.071 0.000 -0.899) 3.200 13.136 ( -2.674 0.000 1.027) 2.865 13.138 ( -2.720 0.000 0.281) 2.734 13.277 ( 0.009 0.000 0.035) 0.036 13.310 ( 0.309 0.000 -1.765) 1.792 13.381 ( -2.824 0.000 1.404) 3.154 13.448 ( -0.728 0.000 -1.244) 1.441 13.549 ( -4.031 0.000 2.362) 4.672 13.732 ( -0.168 0.000 -0.771) 0.789 13.803 ( -5.311 0.000 -2.189) 5.744 14.205 ( -2.657 0.000 -9.706) 10.063 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( 2.903 7.982 4.028) 9.400 0.362 ( -1.937 7.424 8.706) 11.605 0.579 ( -1.851 7.536 7.326) 10.672 0.622 ( -2.098 0.875 -1.678) 2.826 0.679 ( 2.479 -4.483 1.442) 5.322 0.791 ( 3.270 -1.519 3.309) 4.894 0.838 ( 0.956 1.844 1.417) 2.515 0.941 ( 1.303 1.184 -1.368) 2.229 1.063 ( 0.069 -0.704 -0.649) 0.960 1.122 ( -1.572 0.024 -0.676) 1.711 1.220 ( -1.261 1.594 0.447) 2.081 1.246 ( 0.871 -3.766 3.251) 5.051 1.353 ( 1.015 -2.127 -1.706) 2.909 1.434 ( 0.920 -1.427 -0.065) 1.699 1.464 ( -2.120 -0.633 0.275) 2.230 1.531 ( -0.101 -3.828 1.348) 4.059 1.627 ( -0.189 2.981 1.073) 3.174 1.721 ( -1.548 0.367 0.629) 1.711 1.751 ( 5.988 1.474 -0.453) 6.183 1.783 ( -0.447 1.264 -1.122) 1.748 1.839 ( 0.847 -0.117 -1.222) 1.491 1.949 ( -0.081 -1.863 2.756) 3.328 1.989 ( -0.258 -0.237 0.397) 0.530 1.995 ( -2.097 -5.407 5.295) 7.852 2.081 ( 3.614 2.276 -0.634) 4.318 2.139 ( -1.477 1.889 0.369) 2.426 2.241 ( 0.606 -0.335 0.794) 1.054 2.305 ( -3.066 -0.833 -2.220) 3.876 2.397 ( 3.048 1.739 -4.386) 5.617 2.404 ( -1.565 1.240 -2.016) 2.837 2.566 ( 0.848 0.532 -0.766) 1.261 2.594 ( 1.871 -0.282 -1.102) 2.190 2.912 ( -0.902 1.433 0.525) 1.773 2.970 ( -0.065 -0.824 -0.147) 0.839 3.075 ( -0.024 0.398 -1.095) 1.165 3.089 ( 0.676 -0.387 -0.625) 0.999 3.298 ( -4.127 0.148 1.275) 4.322 3.339 ( -1.499 -0.693 -0.308) 1.680 3.719 ( 0.230 1.469 -0.047) 1.487 3.767 ( -2.962 -0.561 0.328) 3.032 3.952 ( -1.322 0.469 0.711) 1.572 3.992 ( -0.960 -1.334 0.124) 1.648 4.023 ( 3.461 0.467 0.318) 3.507 4.041 ( 2.067 -0.279 -0.346) 2.114 4.250 ( 0.265 0.034 0.411) 0.490 4.255 ( 0.715 -0.129 0.551) 0.912 4.561 ( -2.469 0.428 0.970) 2.687 4.598 ( -0.536 -0.634 -0.000) 0.830 4.835 ( 0.629 1.008 0.178) 1.201 4.886 ( -0.113 -1.056 -0.468) 1.160 5.192 ( -0.002 1.403 0.447) 1.472 5.271 ( 1.025 -2.106 0.048) 2.343 6.413 ( 0.399 0.681 0.127) 0.800 6.447 ( -0.127 -0.645 -0.465) 0.805 8.752 ( -0.203 1.544 1.019) 1.861 8.839 ( 2.099 -3.389 2.202) 4.554 13.125 ( -0.198 0.710 0.537) 0.912 13.131 ( -0.483 0.542 1.372) 1.552 13.278 ( 0.219 -0.166 0.193) 0.336 13.299 ( 0.535 -0.770 -1.608) 1.862 13.414 ( 1.483 2.506 -2.592) 3.898 13.453 ( 2.351 0.063 -2.838) 3.685 13.542 ( -3.444 0.959 1.056) 3.728 13.583 ( -6.351 -0.886 0.244) 6.417 13.723 ( -0.187 0.478 -2.015) 2.079 13.746 ( 1.743 -0.286 -1.136) 2.100 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 3.282 2.413 3.220) 5.192 0.533 ( 5.477 3.583 5.659) 8.652 0.603 ( 1.363 0.372 3.523) 3.796 0.708 ( 6.249 1.582 -2.510) 6.917 0.799 ( 5.276 -3.015 1.586) 6.280 0.885 ( 3.929 -3.806 1.616) 5.704 0.924 ( 6.660 -0.234 1.017) 6.741 1.021 ( 12.158 -2.103 -1.314) 12.408 1.068 ( 5.394 2.690 -0.191) 6.030 1.138 ( 1.187 2.696 4.080) 5.032 1.213 ( 0.045 0.584 0.463) 0.747 1.294 ( 1.498 -1.119 0.632) 1.973 1.364 ( -0.298 -2.224 2.413) 3.295 1.425 ( -1.328 -3.767 0.553) 4.033 1.461 ( 2.052 2.364 -0.032) 3.130 1.574 ( 2.362 -2.522 2.087) 4.036 1.634 ( -0.571 3.193 1.174) 3.450 1.679 ( -2.801 1.016 1.491) 3.331 1.762 ( -0.273 1.991 -1.103) 2.292 1.799 ( -1.073 0.136 -0.197) 1.100 1.861 ( 3.183 0.222 -1.066) 3.364 1.963 ( -2.042 -3.303 0.233) 3.890 1.974 ( -2.159 -1.186 1.608) 2.941 2.016 ( 1.963 -1.942 0.606) 2.827 2.094 ( -2.695 3.421 3.272) 5.448 2.183 ( 2.816 -0.081 1.131) 3.036 2.231 ( -2.207 1.984 0.787) 3.070 2.266 ( 0.526 1.384 -0.672) 1.626 2.362 ( 0.492 -0.283 -0.756) 0.945 2.370 ( 2.892 -0.482 -3.063) 4.240 2.556 ( -0.811 0.025 -2.676) 2.796 2.590 ( -0.872 -0.555 -1.094) 1.505 2.903 ( -1.730 1.268 1.024) 2.376 2.960 ( -0.720 -0.504 -0.305) 0.930 3.060 ( 0.233 0.530 -1.098) 1.241 3.106 ( 2.369 -1.561 -0.860) 2.964 3.331 ( 5.496 0.474 -0.357) 5.528 3.359 ( 3.177 -0.534 -0.027) 3.222 3.693 ( -5.711 0.323 -0.292) 5.727 3.698 ( -3.852 0.331 0.513) 3.900 3.877 ( -4.673 0.494 0.748) 4.758 3.919 ( -5.032 -1.420 -0.173) 5.231 4.175 ( 9.175 -0.587 -0.696) 9.220 4.176 ( 9.278 -0.292 -0.320) 9.288 4.262 ( 1.036 0.932 -0.143) 1.401 4.287 ( 2.405 -0.292 0.303) 2.442 4.550 ( -0.513 0.797 0.344) 1.008 4.581 ( -1.613 -0.286 -0.014) 1.638 4.835 ( -1.041 0.271 0.794) 1.337 4.857 ( -2.273 -0.559 -0.785) 2.469 5.185 ( -1.711 1.110 0.734) 2.167 5.258 ( -1.676 -2.048 -1.573) 3.079 6.427 ( 0.807 0.153 0.360) 0.897 6.436 ( -0.245 -0.184 -0.769) 0.828 8.737 ( -3.504 1.564 1.595) 4.156 8.835 ( -4.027 -2.825 0.522) 4.947 13.153 ( 2.354 0.596 0.630) 2.509 13.163 ( 1.981 0.437 1.295) 2.407 13.283 ( 0.098 -0.066 -0.170) 0.207 13.292 ( 0.564 -0.107 -1.155) 1.290 13.396 ( 0.603 2.327 -1.041) 2.620 13.441 ( 1.693 -0.008 -1.285) 2.126 13.536 ( 1.964 0.496 1.147) 2.328 13.625 ( 5.455 -3.843 -2.693) 7.195 13.753 ( 6.612 2.062 -3.142) 7.606 13.814 ( 7.193 -0.951 -1.337) 7.378 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -1.414 1.641 0.243) 2.180 0.573 ( -2.073 -5.399 0.077) 5.784 0.714 ( 0.935 0.631 5.467) 5.582 0.765 ( 5.383 3.268 -0.202) 6.300 0.804 ( -0.251 -3.995 -3.026) 5.018 0.953 ( 3.758 -3.341 -0.572) 5.060 1.060 ( 4.467 3.345 -0.659) 5.619 1.142 ( 4.274 0.011 0.825) 4.353 1.199 ( 0.758 1.291 3.737) 4.025 1.234 ( 5.280 0.094 -1.039) 5.382 1.318 ( 1.510 -2.865 -0.559) 3.286 1.374 ( 11.298 -2.815 1.919) 11.801 1.390 ( 5.818 2.736 1.190) 6.538 1.455 ( 2.629 -2.456 1.246) 3.808 1.505 ( 4.300 2.410 -1.326) 5.105 1.623 ( -0.911 3.200 1.561) 3.675 1.664 ( 5.016 -2.812 0.655) 5.788 1.709 ( 2.570 0.826 2.500) 3.679 1.734 ( -2.523 -1.523 -0.924) 3.088 1.767 ( 1.858 2.217 0.743) 2.987 1.903 ( 3.012 -0.140 -0.760) 3.110 1.932 ( -1.321 0.502 -1.168) 1.834 1.969 ( -0.965 -0.851 2.260) 2.601 2.026 ( 0.266 -3.425 -2.039) 3.995 2.079 ( -3.724 3.607 3.239) 6.113 2.212 ( -1.758 1.434 -0.018) 2.269 2.227 ( 1.321 -0.142 2.766) 3.068 2.274 ( 0.970 0.610 -0.070) 1.148 2.392 ( 0.117 1.427 -0.264) 1.456 2.430 ( 6.656 0.117 -0.587) 6.683 2.526 ( 2.511 -1.207 -1.891) 3.367 2.559 ( -0.635 -1.273 -0.579) 1.535 2.887 ( -1.522 1.788 1.304) 2.686 2.954 ( 0.064 -0.728 0.740) 1.040 3.060 ( 1.103 0.731 -0.955) 1.632 3.132 ( 2.222 -2.115 -1.567) 3.444 3.419 ( 5.243 0.079 -1.084) 5.355 3.423 ( 3.957 -0.036 -0.538) 3.994 3.564 ( -9.363 0.931 0.461) 9.421 3.608 ( -7.643 -0.807 1.138) 7.770 3.830 ( -2.144 0.063 0.505) 2.204 3.839 ( -3.484 -0.244 -0.033) 3.493 4.239 ( 0.190 0.299 -0.107) 0.370 4.254 ( 0.815 -0.140 -1.233) 1.485 4.338 ( 8.304 0.644 -1.297) 8.429 4.366 ( 7.395 -0.273 -1.322) 7.517 4.539 ( -1.282 0.213 -0.006) 1.300 4.544 ( -3.007 0.060 0.317) 3.025 4.802 ( -2.585 0.264 -0.842) 2.731 4.827 ( -1.101 -0.667 1.081) 1.681 5.152 ( -3.700 0.423 1.226) 3.921 5.185 ( -4.522 -0.909 -1.526) 4.858 6.421 ( -0.392 0.460 -0.821) 1.020 6.445 ( 0.751 -0.494 0.272) 0.940 8.679 ( -5.268 1.241 1.249) 5.555 8.746 ( -6.138 -1.502 -0.068) 6.319 13.207 ( 2.897 0.475 0.590) 2.994 13.217 ( 2.380 0.361 1.218) 2.698 13.274 ( -0.307 -0.034 -0.936) 0.985 13.283 ( -0.549 -0.024 -0.322) 0.637 13.423 ( 3.564 1.704 -0.792) 4.029 13.479 ( 4.118 -0.380 -0.904) 4.234 13.613 ( 4.632 0.051 2.045) 5.063 13.689 ( 5.466 -3.679 -1.514) 6.761 13.832 ( 6.884 2.982 -3.137) 8.131 13.933 ( 8.665 -1.658 -1.796) 9.004 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -0.240 0.481 1.496) 1.589 0.534 ( -0.918 -5.278 -0.541) 5.385 0.752 ( -0.345 -2.764 1.092) 2.992 0.777 ( 2.102 -4.006 -3.250) 5.570 0.855 ( 2.586 3.489 1.929) 4.752 1.015 ( 4.175 -2.685 -1.082) 5.080 1.056 ( 0.039 6.739 -2.150) 7.074 1.175 ( -5.191 1.640 2.252) 5.891 1.228 ( 2.590 2.191 -0.012) 3.393 1.293 ( 3.159 0.549 0.633) 3.268 1.328 ( 0.756 -2.448 -0.569) 2.624 1.454 ( 4.292 -4.321 0.962) 6.166 1.488 ( -0.266 0.026 0.378) 0.463 1.510 ( 1.516 -1.470 0.048) 2.112 1.575 ( 2.699 -1.175 -2.212) 3.682 1.600 ( -4.864 -0.757 0.430) 4.941 1.694 ( 3.652 3.232 -0.526) 4.906 1.751 ( 3.280 -2.193 -0.201) 3.951 1.827 ( 4.759 1.275 -0.163) 4.930 1.910 ( 2.967 1.586 -0.629) 3.423 1.919 ( 8.809 -0.544 0.276) 8.831 1.945 ( 2.315 0.503 1.178) 2.646 1.971 ( -1.665 0.720 1.853) 2.593 2.001 ( 0.379 -2.485 -1.883) 3.141 2.060 ( -1.778 2.915 1.783) 3.851 2.164 ( -2.866 0.003 -1.207) 3.110 2.285 ( 0.922 1.370 0.687) 1.788 2.307 ( 2.526 0.750 -0.244) 2.647 2.408 ( 5.946 0.960 1.671) 6.250 2.519 ( 3.777 -2.198 -0.627) 4.415 2.545 ( 2.073 0.421 0.567) 2.190 2.605 ( 5.138 -1.217 -1.470) 5.481 2.888 ( -0.141 1.998 0.932) 2.209 2.970 ( -0.559 -1.204 1.207) 1.794 3.077 ( 1.914 0.673 0.294) 2.050 3.144 ( 1.184 -1.893 -0.711) 2.343 3.375 ( -11.827 0.778 -0.019) 11.852 3.401 ( -8.021 -0.271 -0.232) 8.029 3.483 ( 2.076 1.085 -0.821) 2.482 3.541 ( 1.036 -1.217 -0.047) 1.599 3.811 ( 0.454 0.284 0.326) 0.627 3.825 ( 0.212 -0.178 0.646) 0.703 4.229 ( -0.745 0.373 -0.397) 0.923 4.233 ( -0.892 0.379 -0.766) 1.236 4.440 ( 3.166 0.426 -0.035) 3.195 4.472 ( 6.318 -0.641 -1.415) 6.506 4.499 ( -0.913 0.104 0.003) 0.919 4.508 ( -1.196 -0.068 -0.298) 1.234 4.764 ( -0.667 1.031 -0.586) 1.361 4.827 ( -0.481 -1.387 0.835) 1.689 5.077 ( -6.141 0.242 -0.714) 6.187 5.093 ( -5.106 -0.352 1.301) 5.281 6.407 ( -0.286 0.984 -0.435) 1.113 6.457 ( 0.461 -1.008 0.071) 1.111 8.603 ( -4.615 0.864 0.576) 4.730 8.646 ( -5.020 -0.821 -0.356) 5.099 13.246 ( -0.853 0.698 0.244) 1.129 13.255 ( 1.417 0.354 0.154) 1.469 13.271 ( 0.977 -0.328 0.463) 1.130 13.276 ( 0.796 -0.188 0.298) 0.870 13.480 ( 3.914 1.676 -0.643) 4.306 13.544 ( 4.033 -0.533 -0.271) 4.077 13.723 ( 4.469 -0.591 2.249) 5.038 13.758 ( 4.161 -2.883 -1.072) 5.174 13.906 ( 5.042 3.903 -1.227) 6.494 14.047 ( 7.097 -2.391 -1.668) 7.673 ======================= Grid point 58 (29/96) ======================= q-point: ( 0.44 0.25 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -0.227 -0.599 3.977) 4.028 0.540 ( 0.256 -4.508 2.131) 4.993 0.754 ( 1.339 -1.339 -2.221) 2.919 0.782 ( 1.533 -3.540 -1.290) 4.068 0.894 ( 0.457 2.836 0.882) 3.005 1.006 ( 0.802 1.647 -2.179) 2.846 1.095 ( 0.701 0.458 -0.798) 1.157 1.120 ( -0.363 1.230 1.141) 1.717 1.228 ( -0.885 5.120 0.554) 5.226 1.325 ( 0.328 -1.019 -1.578) 1.907 1.375 ( 1.883 0.340 0.827) 2.084 1.461 ( -0.920 -1.208 -2.301) 2.757 1.484 ( -0.274 -3.423 -1.654) 3.811 1.505 ( -1.308 -0.431 -1.315) 1.904 1.557 ( -0.480 -2.522 -1.936) 3.215 1.574 ( 1.770 -4.587 2.042) 5.324 1.737 ( 1.993 0.640 -2.924) 3.596 1.772 ( 0.968 -0.236 -1.164) 1.532 1.848 ( 0.725 3.847 -0.021) 3.915 1.919 ( -2.848 2.476 1.844) 4.200 1.965 ( 0.765 -1.359 -0.569) 1.661 1.967 ( 1.355 2.346 -0.803) 2.826 2.012 ( 1.788 0.120 0.902) 2.007 2.029 ( -0.501 0.923 -0.570) 1.195 2.061 ( 0.895 -2.857 0.109) 2.996 2.106 ( -1.182 -0.620 -1.646) 2.119 2.267 ( -2.506 3.858 1.653) 4.889 2.374 ( 4.623 0.253 -1.908) 5.008 2.569 ( 3.752 -0.139 0.827) 3.844 2.599 ( 6.768 -1.765 -0.906) 7.053 2.615 ( 7.047 0.087 1.499) 7.205 2.643 ( 0.573 -0.813 -1.118) 1.496 2.893 ( -0.027 1.402 0.340) 1.443 2.944 ( -3.699 -0.702 1.555) 4.074 3.124 ( 0.536 0.251 0.379) 0.703 3.150 ( -4.963 1.263 0.672) 5.165 3.183 ( -2.444 -1.032 -0.833) 2.780 3.240 ( -7.165 -1.340 -1.311) 7.406 3.507 ( 1.402 1.424 0.282) 2.018 3.574 ( 1.672 -1.236 0.183) 2.087 3.834 ( 0.796 0.293 0.316) 0.905 3.842 ( 0.565 -0.024 0.215) 0.605 4.212 ( -0.059 0.531 -0.256) 0.592 4.221 ( -0.285 0.182 -0.159) 0.374 4.419 ( -2.967 0.896 1.120) 3.295 4.463 ( -1.299 -0.847 0.182) 1.561 4.558 ( 4.505 0.200 -0.486) 4.535 4.570 ( 3.975 -0.251 0.289) 3.994 4.764 ( 0.802 0.818 0.019) 1.145 4.823 ( -0.731 -1.547 0.067) 1.713 4.981 ( -3.545 1.045 -0.177) 3.700 5.026 ( -3.835 -0.839 0.746) 3.996 6.404 ( 0.110 1.132 0.232) 1.161 6.462 ( 0.111 -1.148 -0.131) 1.160 8.549 ( -2.039 0.695 -0.060) 2.155 8.581 ( -1.774 -0.592 -0.539) 1.946 13.235 ( -0.371 0.725 0.179) 0.834 13.260 ( -0.152 -0.285 0.207) 0.384 13.292 ( 0.189 0.206 0.886) 0.929 13.304 ( 0.534 -0.239 0.895) 1.070 13.526 ( 1.933 1.739 -0.299) 2.617 13.596 ( 1.819 -0.691 0.318) 1.972 13.771 ( 0.746 -0.346 -1.468) 1.682 13.819 ( 1.866 -2.854 1.866) 3.887 13.965 ( 2.512 4.161 0.341) 4.873 14.121 ( 3.364 -2.743 -0.962) 4.446 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -2.002 -0.310 5.710) 6.059 0.578 ( -0.392 -3.710 3.379) 5.033 0.737 ( -0.124 2.316 -2.689) 3.551 0.787 ( 0.343 -1.232 0.015) 1.279 0.909 ( -0.030 0.592 0.784) 0.983 1.028 ( 3.762 0.065 -1.936) 4.232 1.060 ( -1.849 -1.648 0.692) 2.572 1.141 ( -1.816 -2.344 0.864) 3.088 1.236 ( 0.839 4.560 -0.883) 4.720 1.274 ( -1.381 0.435 -4.760) 4.975 1.331 ( -2.997 1.270 -1.434) 3.557 1.418 ( -0.481 -1.246 -3.103) 3.379 1.467 ( -0.576 -2.103 -1.561) 2.681 1.502 ( 0.702 -0.009 -0.417) 0.817 1.524 ( 0.758 -2.094 -0.816) 2.371 1.627 ( 1.032 -3.609 0.497) 3.786 1.689 ( -0.071 0.101 -4.283) 4.284 1.768 ( -1.048 -2.596 -1.978) 3.428 1.851 ( 0.089 4.586 0.480) 4.612 1.923 ( 0.533 1.711 1.624) 2.419 1.958 ( -1.657 -0.886 -1.264) 2.265 1.961 ( -1.718 2.697 -0.956) 3.337 1.980 ( -0.903 2.131 -0.799) 2.448 2.034 ( -0.362 -0.097 0.368) 0.525 2.077 ( -0.919 -1.643 0.239) 1.898 2.093 ( 2.874 -2.192 -1.492) 3.910 2.264 ( -0.064 3.912 1.191) 4.089 2.389 ( -0.501 -0.794 -1.052) 1.410 2.530 ( -11.740 0.002 -1.381) 11.821 2.571 ( -6.821 -0.855 0.179) 6.877 2.607 ( -2.433 0.464 -0.135) 2.480 2.680 ( -0.976 -1.590 0.176) 1.874 2.903 ( -1.535 0.993 0.973) 2.072 2.942 ( 0.976 -0.542 0.342) 1.168 3.101 ( 5.213 0.903 -0.568) 5.321 3.122 ( 0.787 0.485 1.064) 1.409 3.222 ( 3.351 -0.788 0.395) 3.465 3.238 ( 7.673 -1.106 -1.361) 7.871 3.535 ( 0.086 1.143 1.516) 1.900 3.587 ( -1.246 -0.898 0.618) 1.656 3.827 ( -1.499 0.328 0.018) 1.535 3.835 ( -1.354 -0.035 -0.105) 1.359 4.216 ( 0.292 0.389 -0.370) 0.611 4.226 ( 1.388 0.068 0.159) 1.399 4.413 ( 1.081 1.492 0.771) 1.997 4.471 ( 1.636 -0.631 0.348) 1.788 4.590 ( -2.466 -0.119 0.939) 2.641 4.595 ( -1.436 -0.125 1.084) 1.804 4.773 ( -0.082 0.602 0.564) 0.829 4.807 ( -0.757 -0.676 -0.663) 1.212 4.992 ( 3.675 -0.347 0.252) 3.700 5.007 ( 2.622 -0.370 0.056) 2.648 6.415 ( 0.485 0.843 0.740) 1.222 6.458 ( -0.254 -0.824 -0.342) 0.928 8.538 ( 1.213 0.804 -0.473) 1.530 8.577 ( 2.163 -0.741 -0.688) 2.388 13.237 ( 0.078 0.766 0.356) 0.848 13.264 ( 0.194 -0.272 0.296) 0.446 13.290 ( -1.572 0.425 0.745) 1.791 13.312 ( -0.894 -0.430 1.161) 1.527 13.532 ( -0.998 1.665 -0.101) 1.944 13.605 ( -1.227 -1.000 0.217) 1.598 13.738 ( -2.528 0.909 -0.867) 2.823 13.835 ( -1.817 -3.030 0.830) 3.629 14.004 ( 0.268 2.760 2.555) 3.770 14.129 ( -1.271 -2.364 -0.781) 2.796 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -3.523 0.774 5.591) 6.654 0.588 ( -2.175 -2.322 1.381) 3.468 0.680 ( -4.462 2.976 -1.373) 5.536 0.782 ( -0.537 3.193 -1.028) 3.397 0.902 ( -1.297 -1.354 0.347) 1.907 0.995 ( -2.996 0.153 -2.990) 4.236 1.081 ( 1.413 -5.825 -0.999) 6.076 1.113 ( -1.442 -0.203 0.668) 1.602 1.167 ( -1.896 -0.079 -3.526) 4.004 1.241 ( 1.197 0.670 -1.743) 2.218 1.305 ( -0.596 -0.492 -0.026) 0.773 1.357 ( -1.879 -4.221 -2.218) 5.126 1.458 ( 0.466 3.164 -2.028) 3.787 1.480 ( -0.917 0.059 0.441) 1.019 1.556 ( 0.656 1.558 -0.311) 1.719 1.603 ( 0.238 -0.988 -2.186) 2.410 1.671 ( -0.218 -3.049 -1.392) 3.359 1.696 ( -2.534 -3.372 -3.298) 5.354 1.818 ( -10.414 2.230 0.418) 10.658 1.882 ( -7.902 2.385 -0.619) 8.277 1.897 ( 0.219 3.909 -0.717) 3.980 1.934 ( -1.526 2.729 -0.767) 3.219 1.971 ( 1.442 1.621 -0.383) 2.203 2.011 ( -3.284 -0.927 1.467) 3.714 2.070 ( -0.358 -2.379 0.547) 2.467 2.120 ( 1.537 -3.613 -1.409) 4.171 2.235 ( -5.095 2.289 -1.836) 5.880 2.314 ( -4.971 -0.554 -0.406) 5.018 2.366 ( 0.108 2.375 0.445) 2.419 2.494 ( 0.626 -2.421 -1.076) 2.722 2.558 ( -4.485 1.564 0.642) 4.793 2.642 ( -2.908 -1.633 -0.442) 3.365 2.891 ( -1.166 1.262 2.081) 2.698 2.943 ( 0.052 -0.731 -0.197) 0.759 3.118 ( -1.289 0.700 1.619) 2.185 3.186 ( -0.274 -1.745 0.739) 1.915 3.370 ( 12.725 0.783 0.404) 12.756 3.398 ( 10.980 -0.353 -0.465) 10.996 3.521 ( -3.794 0.176 0.559) 3.838 3.537 ( -4.105 -0.294 -0.304) 4.127 3.816 ( -0.479 0.240 0.213) 0.577 3.818 ( 0.498 0.256 0.773) 0.954 4.220 ( 0.766 0.743 -0.572) 1.210 4.253 ( 1.445 -0.635 -0.269) 1.601 4.456 ( 0.890 1.884 0.862) 2.255 4.492 ( -2.334 1.249 -0.190) 2.654 4.539 ( -4.323 -0.904 0.832) 4.494 4.550 ( -1.071 -1.444 1.196) 2.159 4.783 ( -0.265 0.196 -1.275) 1.317 4.794 ( 1.243 -0.330 1.319) 1.842 5.052 ( 4.941 0.778 -0.556) 5.032 5.124 ( 6.953 -2.055 1.272) 7.361 6.434 ( 0.520 0.256 0.778) 0.970 6.445 ( -0.579 -0.188 -0.532) 0.809 8.575 ( 3.772 1.081 -0.537) 3.960 8.631 ( 5.091 -1.151 -0.979) 5.310 13.232 ( -1.508 0.949 0.192) 1.792 13.258 ( -2.982 0.481 0.524) 3.065 13.272 ( 0.341 0.129 0.091) 0.376 13.310 ( -0.707 -0.765 0.992) 1.438 13.494 ( -3.189 1.405 0.045) 3.485 13.560 ( -3.388 -1.146 -0.857) 3.678 13.678 ( -4.585 1.797 1.245) 5.080 13.793 ( -3.559 -2.292 0.381) 4.250 14.034 ( -2.323 -0.972 4.209) 4.905 14.064 ( -4.737 -1.206 -0.546) 4.919 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -9.372 2.155 -1.919) 9.806 0.540 ( -7.613 6.328 -0.428) 9.908 0.597 ( -0.387 -1.287 2.658) 2.978 0.764 ( -0.278 3.118 -1.721) 3.573 0.855 ( -3.443 0.813 -2.461) 4.309 0.909 ( -1.413 -0.751 -2.738) 3.171 1.052 ( -7.062 -4.769 0.407) 8.531 1.075 ( -2.053 -3.654 -2.171) 4.720 1.119 ( -2.968 1.951 1.910) 4.033 1.242 ( -2.287 -2.664 -2.215) 4.152 1.282 ( 1.866 -2.165 -1.662) 3.306 1.317 ( -7.541 1.751 2.466) 8.125 1.393 ( -4.471 -1.442 0.175) 4.701 1.425 ( -11.417 -0.098 1.471) 11.511 1.522 ( -3.045 0.466 -1.178) 3.298 1.569 ( -0.156 4.458 -1.139) 4.604 1.575 ( -1.820 -0.932 -1.450) 2.507 1.632 ( -4.538 -0.710 -1.551) 4.848 1.697 ( 3.623 -2.275 -0.790) 4.350 1.766 ( -1.726 1.239 -0.693) 2.235 1.889 ( -0.164 4.587 -2.318) 5.142 1.926 ( 0.636 1.695 1.030) 2.083 1.980 ( -2.776 -0.751 1.951) 3.475 1.993 ( 1.412 -0.583 -0.572) 1.631 2.041 ( -1.702 -1.340 -1.891) 2.876 2.128 ( 1.641 -3.497 -0.694) 3.925 2.191 ( 1.185 3.380 -0.941) 3.703 2.289 ( 0.960 0.174 0.505) 1.099 2.419 ( 1.573 1.512 0.757) 2.310 2.461 ( -4.756 0.768 0.691) 4.867 2.539 ( 2.805 -0.415 -0.499) 2.879 2.590 ( -1.072 -1.684 -1.275) 2.369 2.914 ( -0.564 0.998 3.388) 3.577 2.952 ( 0.725 -0.462 0.260) 0.898 3.104 ( -1.854 0.365 0.806) 2.054 3.158 ( -2.706 -1.731 -0.521) 3.254 3.429 ( -4.913 -0.111 -0.280) 4.922 3.443 ( -3.859 -0.798 -0.194) 3.946 3.580 ( 9.302 0.280 0.414) 9.316 3.603 ( 10.004 -0.258 1.793) 10.166 3.819 ( 0.977 0.970 -0.281) 1.405 3.860 ( 2.814 -0.554 0.812) 2.981 4.224 ( 0.240 0.512 -0.505) 0.759 4.259 ( -0.279 -0.931 -0.615) 1.149 4.361 ( -9.494 1.018 -0.423) 9.558 4.392 ( -6.883 0.117 -0.937) 6.948 4.555 ( 2.420 0.085 0.745) 2.533 4.593 ( 1.288 -2.328 2.447) 3.615 4.779 ( 1.777 1.004 -1.154) 2.345 4.840 ( 1.715 -1.651 1.472) 2.800 5.127 ( 3.945 1.435 -0.137) 4.200 5.233 ( 4.430 -3.268 -0.006) 5.505 6.428 ( -0.668 0.443 -0.532) 0.962 6.448 ( 0.237 -0.358 0.414) 0.596 8.643 ( 4.554 1.299 -0.142) 4.738 8.708 ( 5.420 -1.466 -1.561) 5.828 13.192 ( -3.338 1.010 0.470) 3.519 13.204 ( -3.784 0.823 0.273) 3.882 13.277 ( 0.190 0.102 -0.195) 0.290 13.312 ( 0.083 -0.867 -0.104) 0.877 13.439 ( -3.287 1.312 0.349) 3.556 13.490 ( -2.860 -0.717 -1.161) 3.168 13.619 ( -5.035 2.035 2.369) 5.925 13.740 ( -2.905 -2.166 0.229) 3.631 13.937 ( -7.022 -0.051 -1.540) 7.189 14.050 ( -4.915 -6.800 5.422) 9.990 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( -6.538 6.591 1.825) 9.461 0.398 ( -9.504 9.313 3.460) 13.749 0.655 ( 1.160 -6.351 2.817) 7.044 0.683 ( -9.287 8.002 0.232) 12.261 0.768 ( -4.589 2.877 -2.135) 5.822 0.772 ( -15.156 0.771 0.895) 15.202 0.886 ( -2.563 -1.810 -1.887) 3.662 0.974 ( -6.856 -0.545 -2.142) 7.204 1.076 ( -2.094 -1.654 -0.231) 2.678 1.173 ( -4.042 3.134 1.193) 5.252 1.206 ( -1.454 -4.321 0.910) 4.649 1.249 ( -3.301 0.778 1.729) 3.807 1.345 ( 2.843 0.025 -2.191) 3.589 1.414 ( 0.530 -1.976 1.695) 2.657 1.479 ( -1.114 0.398 0.091) 1.187 1.543 ( -2.009 -5.012 0.363) 5.412 1.609 ( 1.624 1.435 0.333) 2.192 1.637 ( 6.306 0.993 -0.739) 6.426 1.721 ( -0.079 1.027 -0.204) 1.050 1.780 ( 2.582 -1.186 0.085) 2.842 1.862 ( -0.265 4.005 -1.982) 4.476 1.941 ( -1.741 -1.877 2.944) 3.902 1.959 ( -2.330 -1.186 1.934) 3.252 1.986 ( -0.578 0.171 0.233) 0.646 2.033 ( 2.929 1.588 -1.126) 3.516 2.149 ( 1.357 -3.111 -0.421) 3.420 2.217 ( 2.407 5.573 -0.542) 6.095 2.316 ( 1.623 2.487 0.438) 3.002 2.379 ( -2.319 0.137 -0.744) 2.439 2.437 ( -1.325 0.585 0.071) 1.450 2.573 ( 1.826 -0.178 -0.968) 2.075 2.592 ( 2.157 -1.356 -2.244) 3.395 2.931 ( -1.927 0.620 1.918) 2.789 2.966 ( 0.564 -0.623 0.089) 0.845 3.085 ( -0.653 0.084 -0.215) 0.692 3.104 ( -1.953 -0.945 -0.657) 2.267 3.355 ( -3.735 -0.389 0.379) 3.774 3.397 ( -2.672 -2.420 0.887) 3.712 3.693 ( 3.568 1.464 0.046) 3.857 3.759 ( 4.209 -2.313 1.735) 5.106 3.863 ( 5.101 0.772 0.134) 5.161 3.924 ( 4.224 -1.652 0.002) 4.535 4.154 ( -9.078 -0.062 -1.180) 9.155 4.189 ( -9.348 -2.124 -1.407) 9.689 4.258 ( -1.181 0.131 -0.357) 1.240 4.264 ( -3.150 -0.081 -1.316) 3.415 4.587 ( 0.228 -0.804 0.519) 0.984 4.618 ( -2.542 -4.039 1.844) 5.116 4.809 ( 2.398 1.259 -0.416) 2.740 4.876 ( 1.149 -1.756 0.329) 2.124 5.174 ( 1.748 1.496 0.158) 2.306 5.262 ( 0.611 -2.437 -1.241) 2.802 6.414 ( -0.312 0.773 -0.278) 0.879 6.452 ( -0.025 -0.713 -0.054) 0.715 8.716 ( 3.531 1.346 0.497) 3.812 8.765 ( 3.235 -0.872 -0.296) 3.364 13.146 ( -2.809 0.806 0.998) 3.088 13.148 ( -2.913 0.847 0.309) 3.049 13.275 ( 0.010 -0.017 -0.119) 0.121 13.308 ( 0.474 -0.868 -1.168) 1.531 13.406 ( -0.301 2.074 -0.116) 2.099 13.448 ( -0.266 -0.066 -1.252) 1.282 13.569 ( -4.079 1.990 2.220) 5.052 13.704 ( -1.467 -2.983 -0.344) 3.342 13.804 ( -5.602 0.164 -1.899) 5.918 13.938 ( -14.715 -12.020 -1.093) 19.031 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -1.402 -10.516 0.706) 10.633 0.438 ( -1.402 10.516 0.706) 10.633 0.526 ( 2.779 -7.272 4.447) 8.965 0.526 ( 2.779 7.272 4.447) 8.965 0.768 ( 0.399 -4.628 -1.412) 4.855 0.768 ( 0.399 4.628 -1.412) 4.855 0.920 ( -0.579 -4.372 0.490) 4.437 0.920 ( -0.579 4.372 0.490) 4.437 1.085 ( 0.087 -3.356 2.618) 4.258 1.085 ( 0.087 3.356 2.618) 4.258 1.226 ( -0.287 -2.593 0.282) 2.624 1.226 ( -0.287 2.593 0.282) 2.624 1.351 ( -0.167 -3.663 0.213) 3.673 1.351 ( -0.167 3.663 0.213) 3.673 1.483 ( 0.042 -1.799 1.443) 2.307 1.483 ( 0.042 1.799 1.443) 2.307 1.679 ( -0.299 -2.695 2.367) 3.600 1.679 ( -0.299 2.695 2.367) 3.600 1.787 ( 3.356 -1.764 -1.805) 4.199 1.787 ( 3.356 1.764 -1.805) 4.199 1.887 ( -1.863 -3.658 0.542) 4.140 1.887 ( -1.863 3.658 0.542) 4.140 1.967 ( -0.127 -1.546 1.886) 2.442 1.967 ( -0.127 1.546 1.886) 2.442 2.131 ( 1.724 -2.206 0.910) 2.944 2.131 ( 1.724 2.206 0.910) 2.944 2.265 ( -1.208 -2.331 -0.718) 2.722 2.265 ( -1.208 2.331 -0.718) 2.722 2.417 ( -0.686 -0.132 -3.462) 3.532 2.417 ( -0.686 0.132 -3.462) 3.532 2.581 ( 1.298 -0.852 -0.758) 1.728 2.581 ( 1.298 0.852 -0.758) 1.728 2.944 ( -0.447 -1.625 0.097) 1.688 2.944 ( -0.447 1.625 0.097) 1.688 3.082 ( 0.414 -0.317 -0.893) 1.035 3.082 ( 0.414 0.317 -0.893) 1.035 3.316 ( -1.511 -1.327 0.393) 2.049 3.316 ( -1.511 1.327 0.393) 2.049 3.749 ( -0.940 -1.283 -0.023) 1.591 3.749 ( -0.940 1.283 -0.023) 1.591 3.966 ( -1.353 -1.066 0.616) 1.829 3.966 ( -1.353 1.066 0.616) 1.829 4.033 ( 2.379 -0.507 -0.096) 2.434 4.033 ( 2.379 0.507 -0.096) 2.434 4.252 ( 0.520 -0.144 0.469) 0.715 4.252 ( 0.520 0.144 0.469) 0.715 4.579 ( -0.758 -1.128 0.480) 1.442 4.579 ( -0.758 1.128 0.480) 1.442 4.860 ( 0.239 -1.424 -0.176) 1.455 4.860 ( 0.239 1.424 -0.176) 1.455 5.229 ( 0.124 -2.106 0.203) 2.120 5.229 ( 0.124 2.106 0.203) 2.120 6.430 ( 0.126 -0.948 -0.191) 0.976 6.430 ( 0.126 0.948 -0.191) 0.976 8.788 ( 0.431 -2.041 1.416) 2.522 8.788 ( 0.431 2.041 1.416) 2.522 13.137 ( -0.421 -0.190 0.899) 1.011 13.137 ( -0.421 0.190 0.899) 1.011 13.281 ( 0.454 -0.651 -0.428) 0.902 13.281 ( 0.454 0.651 -0.428) 0.902 13.445 ( 1.888 -0.887 -2.589) 3.325 13.445 ( 1.888 0.887 -2.589) 3.325 13.563 ( -3.797 -1.080 0.554) 3.986 13.563 ( -3.797 1.080 0.554) 3.986 13.735 ( 0.865 -0.650 -1.453) 1.811 13.735 ( 0.865 0.650 -1.453) 1.811 ======================= Grid point 65 (35/96) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.829 -6.284 1.930) 6.626 0.475 ( 0.829 6.284 1.930) 6.626 0.696 ( 5.682 -6.480 2.817) 9.067 0.696 ( 5.682 6.480 2.817) 9.067 0.779 ( 5.954 -5.252 -3.376) 8.627 0.779 ( 5.954 5.252 -3.376) 8.627 0.962 ( 6.129 -3.302 0.725) 6.999 0.962 ( 6.129 3.302 0.725) 6.999 1.139 ( 4.311 -3.014 2.299) 5.741 1.139 ( 4.311 3.014 2.299) 5.741 1.257 ( 1.237 -2.412 1.340) 3.024 1.257 ( 1.237 2.412 1.340) 3.024 1.356 ( 0.044 -2.047 1.806) 2.730 1.356 ( 0.044 2.047 1.806) 2.730 1.515 ( 1.438 -2.857 1.639) 3.594 1.515 ( 1.438 2.857 1.639) 3.594 1.694 ( -0.294 -1.251 1.971) 2.353 1.694 ( -0.294 1.251 1.971) 2.353 1.778 ( -2.685 -0.275 -0.289) 2.715 1.778 ( -2.685 0.275 -0.289) 2.715 1.893 ( 1.945 -2.404 -0.736) 3.179 1.893 ( 1.945 2.404 -0.736) 3.179 1.982 ( -0.274 -1.530 0.469) 1.624 1.982 ( -0.274 1.530 0.469) 1.624 2.155 ( -1.397 -2.420 3.218) 4.262 2.155 ( -1.397 2.420 3.218) 4.262 2.270 ( 1.564 -1.589 -0.997) 2.443 2.270 ( 1.564 1.589 -0.997) 2.443 2.361 ( 1.415 -0.463 -2.405) 2.829 2.361 ( 1.415 0.463 -2.405) 2.829 2.569 ( -1.455 -1.170 -1.426) 2.349 2.569 ( -1.455 1.170 -1.426) 2.349 2.936 ( -0.822 -1.717 0.180) 1.912 2.936 ( -0.822 1.717 0.180) 1.912 3.077 ( 0.798 -1.175 -0.960) 1.714 3.077 ( 0.798 1.175 -0.960) 1.714 3.345 ( 4.061 -0.816 -0.045) 4.142 3.345 ( 4.061 0.816 -0.045) 4.142 3.700 ( -4.907 -0.197 -0.029) 4.911 3.700 ( -4.907 0.197 -0.029) 4.911 3.892 ( -4.594 -1.092 0.318) 4.733 3.892 ( -4.594 1.092 0.318) 4.733 4.171 ( 8.841 -0.125 -0.195) 8.844 4.171 ( 8.841 0.125 -0.195) 8.844 4.278 ( 2.113 -0.646 0.087) 2.211 4.278 ( 2.113 0.646 0.087) 2.211 4.569 ( -1.129 -0.901 0.245) 1.465 4.569 ( -1.129 0.901 0.245) 1.465 4.844 ( -1.737 -0.602 -0.032) 1.839 4.844 ( -1.737 0.602 -0.032) 1.839 5.216 ( -1.784 -1.931 -0.136) 2.633 5.216 ( -1.784 1.931 -0.136) 2.633 6.432 ( 0.289 -0.261 -0.234) 0.454 6.432 ( 0.289 0.261 -0.234) 0.454 8.779 ( -3.501 -2.519 1.270) 4.496 8.779 ( -3.501 2.519 1.270) 4.496 13.164 ( 2.224 -0.358 0.752) 2.375 13.164 ( 2.224 0.358 0.752) 2.375 13.286 ( 0.278 -0.370 -0.277) 0.539 13.286 ( 0.278 0.370 -0.277) 0.539 13.433 ( 1.146 -1.054 -1.742) 2.337 13.433 ( 1.146 1.054 -1.742) 2.337 13.561 ( 2.826 -2.269 -0.369) 3.642 13.561 ( 2.826 2.269 -0.369) 3.642 13.789 ( 6.752 -1.547 -1.941) 7.194 13.789 ( 6.752 1.547 -1.941) 7.194 ======================= Grid point 67 (36/96) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -2.124 -5.022 -0.564) 5.482 0.461 ( -2.124 5.022 -0.564) 5.482 0.735 ( -0.251 -2.430 -0.211) 2.452 0.735 ( -0.251 2.430 -0.211) 2.452 0.862 ( 5.152 -5.221 -0.165) 7.337 0.862 ( 5.152 5.221 -0.165) 7.337 1.111 ( 6.940 -2.190 1.527) 7.436 1.111 ( 6.940 2.190 1.527) 7.436 1.249 ( -0.744 -1.357 0.179) 1.558 1.249 ( -0.744 1.357 0.179) 1.558 1.296 ( 5.001 -3.636 2.067) 6.519 1.296 ( 5.001 3.636 2.067) 6.519 1.425 ( 6.921 -0.638 0.369) 6.960 1.425 ( 6.921 0.638 0.369) 6.960 1.572 ( 3.880 -4.016 0.185) 5.587 1.572 ( 3.880 4.016 0.185) 5.587 1.691 ( -2.587 -2.219 -0.064) 3.409 1.691 ( -2.587 2.219 -0.064) 3.409 1.765 ( 2.857 -3.038 1.975) 4.614 1.765 ( 2.857 3.038 1.975) 4.614 1.918 ( 1.473 -2.223 0.275) 2.681 1.918 ( 1.473 2.223 0.275) 2.681 1.969 ( -0.315 -2.186 -1.067) 2.452 1.969 ( -0.315 2.186 -1.067) 2.452 2.162 ( -2.894 -3.737 3.285) 5.756 2.162 ( -2.894 3.737 3.285) 5.756 2.268 ( 0.775 -1.430 -0.556) 1.719 2.268 ( 0.775 1.430 -0.556) 1.719 2.422 ( 5.031 -1.207 -0.851) 5.243 2.422 ( 5.031 1.207 -0.851) 5.243 2.526 ( -0.372 -1.433 -0.752) 1.660 2.526 ( -0.372 1.433 -0.752) 1.660 2.927 ( -0.695 -1.910 0.895) 2.221 2.927 ( -0.695 1.910 0.895) 2.221 3.087 ( 1.693 -2.018 -1.249) 2.915 3.087 ( 1.693 2.018 -1.249) 2.915 3.421 ( 4.720 -0.091 -0.714) 4.775 3.421 ( 4.720 0.091 -0.714) 4.775 3.587 ( -8.638 -1.221 0.766) 8.758 3.587 ( -8.638 1.221 0.766) 8.758 3.833 ( -2.577 -0.267 0.150) 2.595 3.833 ( -2.577 0.267 0.150) 2.595 4.247 ( 0.869 -0.475 -0.514) 1.116 4.247 ( 0.869 0.475 -0.514) 1.116 4.355 ( 7.682 -0.826 -1.470) 7.865 4.355 ( 7.682 0.826 -1.470) 7.865 4.543 ( -2.337 -0.147 0.190) 2.350 4.543 ( -2.337 0.147 0.190) 2.350 4.812 ( -1.806 -0.714 0.111) 1.945 4.812 ( -1.806 0.714 0.111) 1.945 5.165 ( -4.113 -0.908 0.033) 4.212 5.165 ( -4.113 0.908 0.033) 4.212 6.433 ( 0.195 -0.667 -0.292) 0.754 6.433 ( 0.195 0.667 -0.292) 0.754 8.711 ( -5.569 -1.847 0.679) 5.906 8.711 ( -5.569 1.847 0.679) 5.906 13.218 ( 2.809 -0.381 0.583) 2.894 13.218 ( 2.809 0.381 0.583) 2.894 13.278 ( -0.701 -0.355 -0.278) 0.834 13.278 ( -0.701 0.355 -0.278) 0.834 13.460 ( 3.838 -1.614 -1.088) 4.303 13.460 ( 3.838 1.614 -1.088) 4.303 13.630 ( 4.964 -1.900 0.435) 5.333 13.630 ( 4.964 1.900 0.435) 5.333 13.889 ( 7.722 -2.643 -2.232) 8.462 13.889 ( 7.722 2.643 -2.232) 8.462 ======================= Grid point 69 (37/96) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -0.918 -4.195 0.386) 4.312 0.429 ( -0.918 4.195 0.386) 4.312 0.728 ( 1.132 -0.879 -1.359) 1.975 0.728 ( 1.132 0.879 -1.359) 1.975 0.937 ( 3.312 -4.450 0.115) 5.548 0.937 ( 3.312 4.450 0.115) 5.548 1.166 ( -2.745 -4.019 1.150) 5.001 1.166 ( -2.745 4.019 1.150) 5.001 1.272 ( 4.383 -2.656 0.469) 5.147 1.272 ( 4.383 2.656 0.469) 5.147 1.348 ( 1.508 -5.190 0.048) 5.405 1.348 ( 1.508 5.190 0.048) 5.405 1.503 ( 0.784 -1.896 -0.163) 2.058 1.503 ( 0.784 1.896 -0.163) 2.058 1.570 ( -2.221 -1.859 -1.981) 3.509 1.570 ( -2.221 1.859 -1.981) 3.509 1.721 ( 3.778 -0.457 0.383) 3.825 1.721 ( 3.778 0.457 0.383) 3.825 1.887 ( 7.767 -3.155 -0.335) 8.389 1.887 ( 7.767 3.155 -0.335) 8.389 1.941 ( 1.383 -1.104 0.016) 1.769 1.941 ( 1.383 1.104 0.016) 1.769 1.969 ( 0.697 -1.014 0.877) 1.512 1.969 ( 0.697 1.014 0.877) 1.512 2.128 ( -4.364 -3.046 1.331) 5.486 2.128 ( -4.364 3.046 1.331) 5.486 2.311 ( 4.766 -0.534 -0.670) 4.843 2.311 ( 4.766 0.534 -0.670) 4.843 2.454 ( 2.103 -3.433 0.492) 4.056 2.454 ( 2.103 3.433 0.492) 4.056 2.573 ( 4.499 -1.759 -0.448) 4.852 2.573 ( 4.499 1.759 -0.448) 4.852 2.934 ( -0.249 -2.290 0.904) 2.475 2.934 ( -0.249 2.290 0.904) 2.475 3.103 ( 1.533 -1.880 -0.213) 2.436 3.103 ( 1.533 1.880 -0.213) 2.436 3.391 ( -10.058 -0.736 -0.165) 10.086 3.391 ( -10.058 0.736 -0.165) 10.086 3.511 ( 1.709 -1.607 -0.334) 2.370 3.511 ( 1.709 1.607 -0.334) 2.370 3.819 ( 0.424 -0.420 0.443) 0.743 3.819 ( 0.424 0.420 0.443) 0.743 4.236 ( -0.776 -0.147 -0.522) 0.947 4.236 ( -0.776 0.147 -0.522) 0.947 4.454 ( 4.408 -0.947 -0.985) 4.615 4.454 ( 4.408 0.947 -0.985) 4.615 4.504 ( -0.766 -0.299 -0.069) 0.825 4.504 ( -0.766 0.299 -0.069) 0.825 4.793 ( -0.599 -1.750 0.080) 1.851 4.793 ( -0.599 1.750 0.080) 1.851 5.085 ( -5.551 -0.472 0.409) 5.586 5.085 ( -5.551 0.472 0.409) 5.586 6.432 ( 0.092 -1.415 -0.186) 1.430 6.432 ( 0.092 1.415 -0.186) 1.430 8.625 ( -4.782 -1.174 0.133) 4.926 8.625 ( -4.782 1.174 0.133) 4.926 13.259 ( -0.197 -0.367 -0.181) 0.454 13.259 ( -0.197 0.367 -0.181) 0.454 13.269 ( 1.272 -0.409 0.783) 1.549 13.269 ( 1.272 0.409 0.783) 1.549 13.520 ( 4.083 -1.870 -0.660) 4.539 13.520 ( 4.083 1.870 -0.660) 4.539 13.721 ( 4.189 -0.740 0.946) 4.358 13.721 ( 4.189 0.740 0.946) 4.358 13.984 ( 6.154 -3.722 -1.596) 7.367 13.984 ( 6.154 3.722 -1.596) 7.367 ======================= Grid point 71 (38/96) ======================= q-point: ( 0.44 -0.50 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -0.235 -3.733 3.386) 5.045 0.444 ( -0.235 3.733 3.386) 5.045 0.745 ( 2.858 -0.625 -1.539) 3.306 0.745 ( 2.858 0.625 -1.539) 3.306 0.965 ( -0.112 -3.889 0.109) 3.892 0.965 ( -0.112 3.889 0.109) 3.892 1.124 ( -1.771 -1.650 -0.607) 2.495 1.124 ( -1.771 1.650 -0.607) 2.495 1.333 ( 2.236 -2.332 -0.399) 3.255 1.333 ( 2.236 2.332 -0.399) 3.255 1.369 ( -0.276 -2.282 -0.232) 2.310 1.369 ( -0.276 2.282 -0.232) 2.310 1.489 ( 0.281 -1.193 -1.247) 1.748 1.489 ( 0.281 1.193 -1.247) 1.748 1.520 ( -0.519 -1.219 -1.448) 1.963 1.520 ( -0.519 1.219 -1.448) 1.963 1.754 ( 1.078 -1.107 -1.874) 2.429 1.754 ( 1.078 1.107 -1.874) 2.429 1.925 ( 0.625 -3.189 -0.726) 3.330 1.925 ( 0.625 3.189 -0.726) 3.330 1.978 ( -0.699 -3.014 1.608) 3.487 1.978 ( -0.699 3.014 1.608) 3.487 2.012 ( 3.020 -1.418 -0.071) 3.337 2.012 ( 3.020 1.418 -0.071) 3.337 2.068 ( -2.674 -2.506 -0.498) 3.699 2.068 ( -2.674 2.506 -0.498) 3.699 2.348 ( 0.578 -3.149 -0.466) 3.235 2.348 ( 0.578 3.149 -0.466) 3.235 2.571 ( 7.782 -0.719 0.059) 7.816 2.571 ( 7.782 0.719 0.059) 7.816 2.624 ( 1.965 -0.865 0.170) 2.154 2.624 ( 1.965 0.865 0.170) 2.154 2.923 ( -1.845 -1.419 0.624) 2.410 2.923 ( -1.845 1.419 0.624) 2.410 3.140 ( 1.956 -1.302 0.784) 2.477 3.140 ( 1.956 1.302 0.784) 2.477 3.203 ( -8.776 -2.140 -1.234) 9.117 3.203 ( -8.776 2.140 -1.234) 9.117 3.542 ( 1.505 -1.827 0.307) 2.387 3.542 ( 1.505 1.827 0.307) 2.387 3.840 ( 0.740 -0.222 0.243) 0.810 3.840 ( 0.740 0.222 0.243) 0.810 4.221 ( -0.234 -0.253 -0.236) 0.417 4.221 ( -0.234 0.253 -0.236) 0.417 4.442 ( -1.916 -1.232 0.695) 2.382 4.442 ( -1.916 1.232 0.695) 2.382 4.564 ( 4.278 -0.356 -0.114) 4.294 4.564 ( 4.278 0.356 -0.114) 4.294 4.789 ( -0.082 -1.628 0.083) 1.632 4.789 ( -0.082 1.628 0.083) 1.632 5.005 ( -3.675 -1.239 0.207) 3.884 5.005 ( -3.675 1.239 0.207) 3.884 6.433 ( 0.111 -1.626 0.058) 1.631 6.433 ( 0.111 1.626 0.058) 1.631 8.566 ( -1.905 -0.904 -0.301) 2.130 8.566 ( -1.905 0.904 -0.301) 2.130 13.250 ( -0.322 -0.695 0.225) 0.798 13.250 ( -0.322 0.695 0.225) 0.798 13.297 ( 0.376 -0.341 0.905) 1.038 13.297 ( 0.376 0.341 0.905) 1.038 13.568 ( 1.980 -2.043 -0.268) 2.858 13.568 ( 1.980 2.043 -0.268) 2.858 13.777 ( 1.145 -1.205 0.607) 1.770 13.777 ( 1.145 1.205 0.607) 1.770 14.049 ( 3.040 -4.157 -0.537) 5.177 14.049 ( 3.040 4.157 -0.537) 5.177 ======================= Grid point 73 (39/96) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -0.864 -3.711 5.396) 6.606 0.492 ( -0.864 3.711 5.396) 6.606 0.771 ( 1.093 -1.075 -0.501) 1.613 0.771 ( 1.093 1.075 -0.501) 1.613 0.958 ( 0.024 -3.832 -0.116) 3.834 0.958 ( 0.024 3.832 -0.116) 3.834 1.088 ( -1.348 -2.702 -1.540) 3.390 1.088 ( -1.348 2.702 -1.540) 3.390 1.307 ( -2.148 -1.831 -2.830) 3.997 1.307 ( -2.148 1.831 -2.830) 3.997 1.345 ( -1.669 -3.519 -1.739) 4.265 1.345 ( -1.669 3.519 -1.739) 4.265 1.476 ( 1.203 -2.299 -0.564) 2.655 1.476 ( 1.203 2.299 -0.564) 2.655 1.547 ( 2.924 -3.801 -0.312) 4.806 1.547 ( 2.924 3.801 -0.312) 4.806 1.713 ( -1.619 -2.321 -3.554) 4.543 1.713 ( -1.619 2.321 -3.554) 4.543 1.924 ( 0.223 -2.407 -0.409) 2.452 1.924 ( 0.223 2.407 -0.409) 2.452 1.980 ( -1.034 -2.833 0.974) 3.169 1.980 ( -1.034 2.833 0.974) 3.169 2.024 ( -0.284 -1.087 -1.254) 1.683 2.024 ( -0.284 1.087 -1.254) 1.683 2.046 ( -0.262 -1.574 0.660) 1.727 2.046 ( -0.262 1.574 0.660) 1.727 2.347 ( 0.096 -3.535 -0.647) 3.595 2.347 ( 0.096 3.535 -0.647) 3.595 2.542 ( -9.891 -1.300 -0.671) 9.999 2.542 ( -9.891 1.300 -0.671) 9.999 2.640 ( -1.348 -2.203 0.371) 2.609 2.640 ( -1.348 2.203 0.371) 2.609 2.925 ( 0.087 -1.074 0.319) 1.124 2.925 ( 0.087 1.074 0.319) 1.124 3.121 ( 1.515 -0.762 0.364) 1.735 3.121 ( 1.515 0.762 0.364) 1.735 3.217 ( 6.756 -0.626 -0.432) 6.799 3.217 ( 6.756 0.626 -0.432) 6.799 3.563 ( -0.630 -1.410 1.147) 1.924 3.563 ( -0.630 1.410 1.147) 1.924 3.833 ( -1.414 -0.189 -0.060) 1.428 3.833 ( -1.414 0.189 -0.060) 1.428 4.224 ( 0.790 -0.297 -0.194) 0.866 4.224 ( 0.790 0.297 -0.194) 0.866 4.447 ( 1.564 -1.652 0.820) 2.418 4.447 ( 1.564 1.652 0.820) 2.418 4.591 ( -2.117 -0.194 0.892) 2.306 4.591 ( -2.117 0.194 0.892) 2.306 4.790 ( -0.271 -0.963 0.205) 1.022 4.790 ( -0.271 0.963 0.205) 1.022 4.995 ( 2.980 -0.605 -0.182) 3.046 4.995 ( 2.980 0.605 -0.182) 3.046 6.437 ( 0.121 -1.191 0.216) 1.216 6.437 ( 0.121 1.191 0.216) 1.216 8.558 ( 1.664 -1.081 -0.593) 2.071 8.558 ( 1.664 1.081 -0.593) 2.071 13.254 ( 0.166 -0.718 0.372) 0.825 13.254 ( 0.166 0.718 0.372) 0.825 13.301 ( -1.239 -0.622 0.982) 1.699 13.301 ( -1.239 0.622 0.982) 1.699 13.573 ( -1.052 -2.100 -0.306) 2.369 13.573 ( -1.052 2.100 -0.306) 2.369 13.774 ( -2.181 -2.675 0.708) 3.523 13.774 ( -2.181 2.675 0.708) 3.523 14.068 ( -0.667 -3.401 0.324) 3.480 14.068 ( -0.667 3.401 0.324) 3.480 ======================= Grid point 75 (40/96) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -2.829 -3.256 4.460) 6.204 0.527 ( -2.829 3.256 4.460) 6.204 0.764 ( -1.501 -4.307 0.042) 4.561 0.764 ( -1.501 4.307 0.042) 4.561 0.945 ( -2.401 -4.171 -0.149) 4.815 0.945 ( -2.401 4.171 -0.149) 4.815 1.051 ( 0.786 -2.931 -3.333) 4.508 1.051 ( 0.786 2.931 -3.333) 4.508 1.240 ( -1.818 -4.770 -2.234) 5.572 1.240 ( -1.818 4.770 -2.234) 5.572 1.277 ( -1.943 -2.902 -1.730) 3.898 1.277 ( -1.943 2.902 -1.730) 3.898 1.500 ( -0.807 -1.986 1.000) 2.366 1.500 ( -0.807 1.986 1.000) 2.366 1.587 ( 3.524 -2.418 -1.655) 4.583 1.587 ( 3.524 2.418 -1.655) 4.583 1.632 ( -2.171 -2.356 -3.607) 4.824 1.632 ( -2.171 2.356 -3.607) 4.824 1.884 ( -8.355 -2.447 -0.082) 8.707 1.884 ( -8.355 2.447 -0.082) 8.707 1.963 ( -1.325 -1.445 0.816) 2.124 1.963 ( -1.325 1.445 0.816) 2.124 1.994 ( -2.791 -2.445 1.081) 3.865 1.994 ( -2.791 2.445 1.081) 3.865 2.047 ( 1.116 -2.959 -1.439) 3.474 2.047 ( 1.116 2.959 -1.439) 3.474 2.285 ( -4.607 -2.272 -1.704) 5.411 2.285 ( -4.607 2.272 -1.704) 5.411 2.430 ( 0.895 -3.610 -0.332) 3.734 2.430 ( 0.895 3.610 -0.332) 3.734 2.600 ( -3.770 -2.384 0.394) 4.477 2.600 ( -3.770 2.384 0.394) 4.477 2.921 ( -0.319 -1.455 0.694) 1.643 2.921 ( -0.319 1.455 0.694) 1.643 3.146 ( -0.984 -1.963 1.158) 2.482 3.146 ( -0.984 1.963 1.158) 2.482 3.387 ( 11.992 -0.733 -0.054) 12.014 3.387 ( 11.992 0.733 -0.054) 12.014 3.528 ( -4.295 -0.483 0.183) 4.326 3.528 ( -4.295 0.483 0.183) 4.326 3.820 ( 0.093 -0.074 0.552) 0.565 3.820 ( 0.093 0.074 0.552) 0.565 4.237 ( 1.025 -0.881 -0.502) 1.442 4.237 ( 1.025 0.881 -0.502) 1.442 4.500 ( 1.698 -2.151 1.179) 2.983 4.500 ( 1.698 2.151 1.179) 2.983 4.523 ( -5.255 -1.164 0.176) 5.385 4.523 ( -5.255 1.164 0.176) 5.385 4.788 ( 0.268 -0.273 0.014) 0.383 4.788 ( 0.268 0.273 0.014) 0.383 5.080 ( 5.929 -1.989 0.193) 6.257 5.080 ( 5.929 1.989 0.193) 6.257 6.440 ( -0.027 -0.317 0.140) 0.347 6.440 ( -0.027 0.317 0.140) 0.347 8.603 ( 4.365 -1.526 -0.751) 4.684 8.603 ( 4.365 1.526 -0.751) 4.684 13.252 ( -1.486 -0.849 0.304) 1.738 13.252 ( -1.486 0.849 0.304) 1.738 13.289 ( -0.882 -1.199 0.702) 1.646 13.289 ( -0.882 1.199 0.702) 1.646 13.529 ( -3.167 -1.841 -0.606) 3.713 13.529 ( -3.167 1.841 -0.606) 3.713 13.731 ( -4.208 -3.328 1.477) 5.564 13.731 ( -4.208 3.328 1.477) 5.564 14.036 ( -3.985 -1.132 0.880) 4.235 14.036 ( -3.985 1.132 0.880) 4.235 ======================= Grid point 77 (41/96) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -5.204 -5.401 0.396) 7.510 0.489 ( -5.204 5.401 0.396) 7.510 0.726 ( -2.600 -7.118 -0.152) 7.580 0.726 ( -2.600 7.118 -0.152) 7.580 0.895 ( -2.832 -1.724 -0.433) 3.344 0.895 ( -2.832 1.724 -0.433) 3.344 1.007 ( -1.719 -2.272 -2.307) 3.666 1.007 ( -1.719 2.272 -2.307) 3.666 1.170 ( -4.692 -3.057 -1.367) 5.765 1.170 ( -4.692 3.057 -1.367) 5.765 1.282 ( 2.171 -2.364 0.428) 3.238 1.282 ( 2.171 2.364 0.428) 3.238 1.418 ( -11.081 -1.680 1.520) 11.310 1.418 ( -11.081 1.680 1.520) 11.310 1.534 ( -2.990 -1.325 -2.217) 3.951 1.534 ( -2.990 1.325 -2.217) 3.951 1.643 ( 1.548 -2.438 -1.140) 3.105 1.643 ( 1.548 2.438 -1.140) 3.105 1.714 ( -3.771 -5.700 -0.258) 6.839 1.714 ( -3.771 5.700 -0.258) 6.839 1.959 ( -1.385 -0.995 1.316) 2.154 1.959 ( -1.385 0.995 1.316) 2.154 1.966 ( -0.946 -0.817 -0.798) 1.483 1.966 ( -0.946 0.817 -0.798) 1.483 2.056 ( 2.142 -2.840 -1.528) 3.872 2.056 ( 2.142 2.840 -1.528) 3.872 2.260 ( 2.202 -2.806 -0.340) 3.583 2.260 ( 2.202 2.806 -0.340) 3.583 2.456 ( -0.810 -1.557 0.397) 1.799 2.456 ( -0.810 1.557 0.397) 1.799 2.551 ( -0.309 -1.789 -0.199) 1.826 2.551 ( -0.309 1.789 -0.199) 1.826 2.937 ( 0.273 -1.042 1.418) 1.781 2.937 ( 0.273 1.042 1.418) 1.781 3.122 ( -2.352 -1.494 0.179) 2.792 3.122 ( -2.352 1.494 0.179) 2.792 3.431 ( -4.756 -0.361 -0.298) 4.779 3.431 ( -4.756 0.361 -0.298) 4.779 3.592 ( 9.518 -0.739 1.005) 9.599 3.592 ( 9.518 0.739 1.005) 9.599 3.843 ( 1.649 -1.157 0.269) 2.033 3.843 ( 1.649 1.157 0.269) 2.033 4.239 ( -0.359 -0.941 -0.494) 1.121 4.239 ( -0.359 0.941 -0.494) 1.121 4.383 ( -8.953 -0.965 -0.692) 9.031 4.383 ( -8.953 0.965 -0.692) 9.031 4.561 ( 1.733 -0.757 1.040) 2.158 4.561 ( 1.733 0.757 1.040) 2.158 4.806 ( 1.805 -1.594 -0.006) 2.408 4.806 ( 1.805 1.594 -0.006) 2.408 5.169 ( 4.087 -2.777 0.002) 4.941 5.169 ( 4.087 2.777 0.002) 4.941 6.438 ( -0.219 -0.571 -0.059) 0.614 6.438 ( -0.219 0.571 -0.059) 0.614 8.675 ( 4.920 -1.731 -0.686) 5.261 8.675 ( 4.920 1.731 -0.686) 5.261 13.210 ( -3.609 -0.452 0.519) 3.674 13.210 ( -3.609 0.452 0.519) 3.674 13.289 ( 0.080 -1.132 -0.174) 1.148 13.289 ( 0.080 1.132 -0.174) 1.148 13.468 ( -2.634 -1.411 -0.581) 3.044 13.468 ( -2.634 1.411 -0.581) 3.044 13.677 ( -4.410 -3.560 1.775) 5.939 13.677 ( -4.410 3.560 1.775) 5.939 13.955 ( -6.919 -2.385 0.608) 7.344 13.955 ( -6.919 2.385 0.608) 7.344 ======================= Grid point 79 (42/96) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -2.410 -8.505 1.339) 8.941 0.413 ( -2.410 8.505 1.339) 8.941 0.650 ( -9.956 -6.727 0.916) 12.051 0.650 ( -9.956 6.727 0.916) 12.051 0.808 ( -4.316 -1.732 -2.065) 5.088 0.808 ( -4.316 1.732 -2.065) 5.088 0.949 ( -2.607 -5.884 -0.763) 6.480 0.949 ( -2.607 5.884 -0.763) 6.480 1.076 ( -3.582 -4.992 1.761) 6.391 1.076 ( -3.582 4.992 1.761) 6.391 1.258 ( -3.434 -4.138 -0.165) 5.380 1.258 ( -3.434 4.138 -0.165) 5.380 1.346 ( -0.338 -3.526 1.466) 3.833 1.346 ( -0.338 3.526 1.466) 3.833 1.484 ( -1.204 -1.101 -0.264) 1.653 1.484 ( -1.204 1.101 -0.264) 1.653 1.642 ( 1.161 -1.625 0.809) 2.155 1.642 ( 1.161 1.625 0.809) 2.155 1.742 ( 3.729 -2.418 -1.014) 4.558 1.742 ( 3.729 2.418 -1.014) 4.558 1.928 ( -2.863 -1.915 0.184) 3.449 1.928 ( -2.863 1.915 0.184) 3.449 1.955 ( -0.567 -2.969 0.778) 3.121 1.955 ( -0.567 2.969 0.778) 3.121 2.085 ( 2.879 -3.132 -0.546) 4.289 2.085 ( 2.879 3.132 -0.546) 4.289 2.298 ( 0.411 -2.760 -0.205) 2.798 2.298 ( 0.411 2.760 -0.205) 2.798 2.422 ( -0.297 -2.089 -0.152) 2.115 2.422 ( -0.297 2.089 -0.152) 2.115 2.573 ( 1.890 -0.372 -1.276) 2.310 2.573 ( 1.890 0.372 -1.276) 2.310 2.949 ( -0.472 -1.000 0.646) 1.281 2.949 ( -0.472 1.000 0.646) 1.281 3.090 ( -0.920 -0.429 -0.332) 1.068 3.090 ( -0.920 0.429 -0.332) 1.068 3.362 ( -3.710 -1.100 0.554) 3.909 3.362 ( -3.710 1.100 0.554) 3.909 3.723 ( 4.046 -1.497 0.785) 4.385 3.723 ( 4.046 1.497 0.785) 4.385 3.889 ( 4.224 -1.729 0.063) 4.565 3.889 ( 4.224 1.729 0.063) 4.565 4.161 ( -9.560 -0.851 -0.886) 9.639 4.161 ( -9.560 0.851 -0.886) 9.639 4.260 ( -2.081 -0.186 -0.573) 2.167 4.260 ( -2.081 0.186 -0.573) 2.167 4.583 ( -0.367 -0.659 0.802) 1.101 4.583 ( -0.367 0.659 0.802) 1.101 4.841 ( 2.079 -1.768 -0.143) 2.733 4.841 ( 2.079 1.768 -0.143) 2.733 5.214 ( 1.535 -2.323 -0.068) 2.785 5.214 ( 1.535 2.323 -0.068) 2.785 6.433 ( -0.165 -1.065 -0.176) 1.092 6.433 ( -0.165 1.065 -0.176) 1.092 8.743 ( 3.377 -1.270 0.210) 3.614 8.743 ( 3.377 1.270 0.210) 3.614 13.158 ( -3.086 -0.088 0.738) 3.174 13.158 ( -3.086 0.088 0.738) 3.174 13.284 ( 0.040 -1.030 -0.571) 1.178 13.284 ( 0.040 1.030 -0.571) 1.178 13.439 ( 0.472 -1.002 -1.074) 1.543 13.439 ( 0.472 1.002 -1.074) 1.543 13.627 ( -4.098 -3.784 1.384) 5.747 13.627 ( -4.098 3.784 1.384) 5.747 13.821 ( -7.799 -2.036 -1.135) 8.140 13.821 ( -7.799 2.036 -1.135) 8.140 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -0.336 0.000 3.732) 3.747 0.405 ( -6.657 0.000 8.247) 10.599 0.620 ( 0.281 0.000 5.509) 5.516 0.679 ( -2.224 0.000 8.232) 8.527 0.782 ( 5.801 0.000 3.868) 6.972 0.796 ( 0.398 0.000 -1.302) 1.362 0.876 ( 3.102 0.000 1.870) 3.622 0.947 ( -1.499 0.000 1.788) 2.333 1.022 ( 2.089 0.000 -4.053) 4.560 1.120 ( 0.695 0.000 1.018) 1.233 1.211 ( -2.049 0.000 1.785) 2.718 1.347 ( 1.567 0.000 1.417) 2.113 1.363 ( -1.502 0.000 -1.054) 1.834 1.443 ( 0.998 0.000 -1.642) 1.921 1.483 ( 0.335 0.000 1.915) 1.944 1.558 ( 0.305 0.000 -1.433) 1.465 1.590 ( 0.291 0.000 0.796) 0.848 1.680 ( 3.295 0.000 -1.238) 3.520 1.756 ( -2.919 0.000 1.582) 3.320 1.760 ( 1.153 0.000 0.940) 1.487 1.840 ( 1.046 0.000 -1.518) 1.844 1.989 ( -0.645 0.000 -1.818) 1.929 2.015 ( 2.366 0.000 -0.671) 2.459 2.032 ( 1.750 0.000 0.939) 1.986 2.106 ( 0.877 0.000 1.933) 2.123 2.126 ( -1.657 0.000 2.026) 2.617 2.236 ( -2.085 0.000 0.295) 2.106 2.309 ( 0.745 0.000 -3.585) 3.661 2.328 ( 1.414 0.000 1.087) 1.784 2.362 ( -1.366 0.000 -1.163) 1.794 2.545 ( -2.318 0.000 -0.546) 2.381 2.580 ( 1.710 0.000 -0.821) 1.897 2.914 ( -0.726 0.000 1.039) 1.268 2.967 ( -0.368 0.000 -0.727) 0.815 3.050 ( -0.323 0.000 -0.808) 0.870 3.080 ( 1.415 0.000 -1.067) 1.772 3.321 ( -5.196 0.000 0.457) 5.216 3.341 ( 0.034 0.000 0.050) 0.061 3.711 ( 0.958 0.000 0.791) 1.243 3.771 ( -3.130 0.000 -0.513) 3.172 3.971 ( -3.580 0.000 1.606) 3.924 4.008 ( -2.104 0.000 0.258) 2.120 4.025 ( 5.001 0.000 0.201) 5.005 4.036 ( 4.930 0.000 -0.408) 4.946 4.259 ( -0.493 0.000 0.519) 0.716 4.266 ( 1.108 0.000 0.437) 1.191 4.573 ( -2.892 0.000 0.571) 2.948 4.599 ( -0.189 0.000 -0.259) 0.320 4.832 ( 1.488 0.000 0.621) 1.613 4.883 ( -0.773 0.000 -0.951) 1.225 5.193 ( 0.126 0.000 1.078) 1.086 5.278 ( 0.219 0.000 -1.596) 1.611 6.412 ( 0.926 0.000 0.368) 0.996 6.441 ( -0.529 0.000 -0.750) 0.918 8.770 ( -0.575 0.000 2.357) 2.426 8.885 ( 2.318 0.000 -1.353) 2.684 13.130 ( -0.264 0.000 0.869) 0.909 13.159 ( -0.788 0.000 1.889) 2.046 13.254 ( 0.775 0.000 -1.726) 1.892 13.289 ( -0.135 0.000 0.226) 0.263 13.374 ( -1.072 0.000 0.179) 1.087 13.403 ( 2.061 0.000 -2.308) 3.095 13.562 ( -4.650 0.000 1.671) 4.941 13.597 ( -3.516 0.000 0.610) 3.568 13.668 ( 0.395 0.000 -2.900) 2.926 13.718 ( 3.347 0.000 -2.063) 3.932 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -1.395 0.000 3.377) 3.654 0.590 ( 11.571 0.000 3.094) 11.978 0.680 ( -2.243 0.000 1.526) 2.712 0.737 ( 1.903 0.000 7.469) 7.708 0.850 ( -0.453 0.000 -1.369) 1.442 0.907 ( -0.061 0.000 -2.220) 2.221 0.953 ( 17.802 0.000 -3.206) 18.089 1.004 ( 7.272 0.000 2.497) 7.688 1.072 ( 7.881 0.000 0.462) 7.894 1.115 ( -2.636 0.000 0.889) 2.782 1.234 ( 2.521 0.000 0.950) 2.694 1.340 ( -1.249 0.000 0.826) 1.497 1.394 ( 2.331 0.000 1.279) 2.659 1.415 ( 0.362 0.000 -2.639) 2.664 1.509 ( 0.469 0.000 0.453) 0.652 1.545 ( 0.368 0.000 -1.236) 1.290 1.637 ( 2.936 0.000 2.631) 3.942 1.684 ( -0.116 0.000 -1.033) 1.039 1.762 ( -0.102 0.000 0.754) 0.761 1.778 ( 0.221 0.000 0.250) 0.334 1.851 ( 1.329 0.000 0.278) 1.358 1.942 ( -1.284 0.000 -2.948) 3.215 2.011 ( -1.036 0.000 -0.520) 1.159 2.060 ( 0.880 0.000 -0.598) 1.064 2.122 ( -2.425 0.000 2.813) 3.714 2.167 ( 0.355 0.000 0.356) 0.503 2.212 ( 0.558 0.000 1.401) 1.508 2.288 ( 0.730 0.000 -0.642) 0.972 2.344 ( 2.277 0.000 0.335) 2.302 2.355 ( 2.082 0.000 -0.418) 2.124 2.503 ( -1.633 0.000 -1.364) 2.127 2.587 ( -0.118 0.000 -0.408) 0.425 2.915 ( -1.638 0.000 1.177) 2.017 2.956 ( 0.203 0.000 -0.117) 0.234 3.041 ( 0.176 0.000 -0.331) 0.375 3.100 ( 2.602 0.000 -1.600) 3.055 3.328 ( 3.517 0.000 0.679) 3.581 3.367 ( 2.650 0.000 0.235) 2.660 3.687 ( -6.178 0.000 -0.198) 6.181 3.714 ( -2.774 0.000 1.346) 3.083 3.892 ( -4.937 0.000 1.303) 5.106 3.928 ( -5.512 0.000 -0.466) 5.532 4.154 ( 8.110 0.000 -1.571) 8.261 4.166 ( 8.493 0.000 -1.206) 8.578 4.255 ( -0.322 0.000 0.380) 0.498 4.293 ( 1.817 0.000 -0.080) 1.818 4.554 ( -1.216 0.000 0.892) 1.508 4.585 ( -1.408 0.000 0.335) 1.447 4.840 ( -2.553 0.000 -1.308) 2.869 4.852 ( -0.112 0.000 0.940) 0.946 5.199 ( -1.375 0.000 1.597) 2.108 5.237 ( -2.132 0.000 -2.087) 2.984 6.420 ( -0.653 0.000 -0.877) 1.093 6.435 ( 1.128 0.000 0.392) 1.194 8.757 ( -4.059 0.000 1.969) 4.511 8.847 ( -3.694 0.000 -1.697) 4.065 13.161 ( 2.240 0.000 1.047) 2.473 13.187 ( 1.774 0.000 1.002) 2.038 13.256 ( 0.966 0.000 -0.769) 1.234 13.285 ( -0.087 0.000 -0.294) 0.307 13.368 ( 0.569 0.000 -0.212) 0.607 13.419 ( 2.717 0.000 -0.999) 2.895 13.569 ( 2.304 0.000 2.239) 3.212 13.633 ( 4.792 0.000 -1.191) 4.938 13.678 ( 3.872 0.000 -0.823) 3.958 13.788 ( 7.898 0.000 -2.585) 8.311 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -3.122 0.000 4.267) 5.287 0.608 ( -0.918 0.000 -3.338) 3.462 0.775 ( 2.722 0.000 1.397) 3.060 0.825 ( 0.776 0.000 0.598) 0.979 0.829 ( 0.653 0.000 3.057) 3.126 0.872 ( 0.910 0.000 -3.395) 3.515 1.028 ( -1.383 0.000 -3.393) 3.665 1.156 ( 5.844 0.000 1.932) 6.155 1.199 ( 2.281 0.000 1.259) 2.606 1.216 ( 6.212 0.000 -1.236) 6.334 1.327 ( 0.595 0.000 -0.912) 1.088 1.382 ( 18.048 0.000 -1.734) 18.131 1.421 ( 4.627 0.000 -1.863) 4.988 1.460 ( 3.275 0.000 1.304) 3.525 1.536 ( 1.658 0.000 1.855) 2.488 1.564 ( 1.656 0.000 0.971) 1.919 1.659 ( -0.864 0.000 -3.623) 3.725 1.717 ( 4.823 0.000 -1.810) 5.151 1.758 ( 1.351 0.000 0.961) 1.658 1.795 ( 1.958 0.000 2.480) 3.160 1.879 ( -1.531 0.000 -3.449) 3.774 1.894 ( 2.603 0.000 0.531) 2.657 1.985 ( -1.225 0.000 -0.283) 1.257 2.042 ( -1.924 0.000 0.136) 1.929 2.118 ( -4.535 0.000 0.436) 4.556 2.120 ( 0.206 0.000 -1.145) 1.163 2.258 ( 1.289 0.000 -0.025) 1.289 2.315 ( 2.025 0.000 2.023) 2.862 2.394 ( -1.808 0.000 2.061) 2.742 2.419 ( 5.802 0.000 -0.779) 5.854 2.495 ( 5.311 0.000 -1.656) 5.563 2.569 ( -0.973 0.000 -0.425) 1.062 2.897 ( -2.080 0.000 1.541) 2.589 2.981 ( 1.595 0.000 1.511) 2.197 3.051 ( 0.881 0.000 0.674) 1.109 3.124 ( 2.572 0.000 -1.456) 2.955 3.402 ( 4.102 0.000 -0.415) 4.123 3.420 ( 2.734 0.000 0.268) 2.747 3.562 ( -9.084 0.000 0.348) 9.091 3.638 ( -7.620 0.000 0.849) 7.667 3.836 ( -3.746 0.000 -0.480) 3.777 3.849 ( -2.149 0.000 1.108) 2.418 4.218 ( 1.753 0.000 -1.763) 2.486 4.232 ( 0.500 0.000 -0.571) 0.759 4.311 ( 7.714 0.000 -0.855) 7.761 4.352 ( 6.310 0.000 -0.628) 6.342 4.541 ( -1.575 0.000 0.608) 1.688 4.558 ( -3.145 0.000 1.252) 3.385 4.777 ( -2.663 0.000 -1.259) 2.945 4.858 ( -0.528 0.000 1.057) 1.182 5.159 ( -4.482 0.000 -1.553) 4.743 5.181 ( -3.380 0.000 1.835) 3.845 6.401 ( -0.524 0.000 -0.565) 0.771 6.456 ( 0.900 0.000 0.163) 0.915 8.690 ( -5.783 0.000 1.046) 5.877 8.744 ( -5.712 0.000 -1.464) 5.897 13.218 ( 2.589 0.000 1.101) 2.813 13.234 ( 2.855 0.000 -0.481) 2.895 13.256 ( -0.700 0.000 0.867) 1.114 13.282 ( -0.023 0.000 -0.054) 0.058 13.397 ( 3.189 0.000 -0.299) 3.203 13.474 ( 4.389 0.000 -0.153) 4.391 13.662 ( 4.907 0.000 1.889) 5.258 13.701 ( 5.486 0.000 -1.477) 5.682 13.769 ( 5.514 0.000 1.381) 5.685 13.909 ( 9.784 0.000 -2.320) 10.055 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -0.463 0.000 5.865) 5.884 0.583 ( 0.827 0.000 -0.072) 0.830 0.788 ( -2.915 0.000 -4.965) 5.758 0.810 ( 5.031 0.000 -2.696) 5.707 0.862 ( -0.553 0.000 2.773) 2.827 0.874 ( 3.383 0.000 -2.951) 4.489 1.009 ( 2.069 0.000 -0.188) 2.077 1.159 ( -4.159 0.000 -0.506) 4.190 1.210 ( -1.023 0.000 1.251) 1.616 1.299 ( 5.114 0.000 -1.279) 5.271 1.339 ( 1.984 0.000 0.578) 2.066 1.496 ( 2.203 0.000 -3.699) 4.305 1.498 ( 0.323 0.000 -0.430) 0.538 1.526 ( -1.818 0.000 -1.920) 2.644 1.564 ( 2.875 0.000 -0.188) 2.881 1.623 ( 6.307 0.000 0.286) 6.313 1.640 ( -0.045 0.000 1.731) 1.731 1.746 ( 1.724 0.000 -1.824) 2.510 1.801 ( -1.544 0.000 -2.545) 2.977 1.844 ( 8.281 0.000 -2.998) 8.807 1.942 ( 2.501 0.000 0.367) 2.528 1.964 ( -0.830 0.000 0.996) 1.296 1.986 ( 13.234 0.000 1.202) 13.288 2.019 ( -0.541 0.000 0.158) 0.563 2.041 ( -4.775 0.000 0.141) 4.777 2.087 ( -1.554 0.000 -2.271) 2.752 2.251 ( 1.502 0.000 -3.260) 3.589 2.335 ( -5.139 0.000 2.545) 5.734 2.442 ( 8.892 0.000 1.398) 9.001 2.504 ( 5.610 0.000 -1.592) 5.831 2.561 ( 0.843 0.000 -0.144) 0.855 2.587 ( 5.484 0.000 -1.029) 5.579 2.886 ( -1.136 0.000 0.992) 1.508 3.016 ( -0.902 0.000 2.046) 2.236 3.090 ( 2.188 0.000 1.344) 2.567 3.156 ( 2.429 0.000 -0.090) 2.431 3.363 ( -12.894 0.000 -0.235) 12.897 3.404 ( -8.617 0.000 0.381) 8.626 3.461 ( 1.860 0.000 0.014) 1.860 3.548 ( 0.750 0.000 -0.737) 1.051 3.813 ( 0.975 0.000 0.150) 0.986 3.840 ( -0.373 0.000 0.648) 0.748 4.207 ( -0.375 0.000 -0.710) 0.802 4.226 ( -0.519 0.000 0.013) 0.520 4.438 ( 7.588 0.000 -0.092) 7.589 4.465 ( 6.208 0.000 -0.336) 6.217 4.505 ( -5.020 0.000 1.378) 5.206 4.517 ( -1.344 0.000 0.833) 1.581 4.738 ( 0.004 0.000 -0.792) 0.792 4.860 ( -0.877 0.000 0.839) 1.214 5.054 ( -5.906 0.000 -0.843) 5.966 5.127 ( -5.236 0.000 1.372) 5.413 6.393 ( -0.061 0.000 0.171) 0.182 6.468 ( 0.450 0.000 -0.156) 0.476 8.604 ( -4.987 0.000 0.260) 4.994 8.637 ( -4.579 0.000 -1.292) 4.757 13.235 ( -0.431 0.000 -0.219) 0.483 13.260 ( 0.776 0.000 0.557) 0.955 13.289 ( 0.620 0.000 0.853) 1.055 13.291 ( 1.762 0.000 1.220) 2.143 13.456 ( 3.717 0.000 -0.080) 3.718 13.551 ( 4.326 0.000 0.128) 4.328 13.728 ( 3.246 0.000 -1.894) 3.758 13.814 ( 5.765 0.000 3.246) 6.616 13.860 ( 3.470 0.000 0.188) 3.476 14.047 ( 7.720 0.000 -0.226) 7.724 ======================= Grid point 94 (47/96) ======================= q-point: ( 0.44 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -0.310 0.000 7.422) 7.428 0.620 ( 1.306 0.000 1.992) 2.382 0.678 ( -1.181 0.000 -5.613) 5.736 0.864 ( -0.985 0.000 1.306) 1.636 0.892 ( 5.620 0.000 -1.369) 5.784 0.904 ( 2.510 0.000 -0.378) 2.538 1.066 ( 5.062 0.000 -1.021) 5.164 1.109 ( -0.928 0.000 1.197) 1.515 1.205 ( -0.878 0.000 0.255) 0.915 1.272 ( -1.784 0.000 -4.822) 5.141 1.360 ( -4.668 0.000 -3.712) 5.964 1.451 ( 4.953 0.000 1.016) 5.056 1.464 ( -2.505 0.000 -1.352) 2.847 1.521 ( -1.753 0.000 -0.516) 1.827 1.566 ( -1.648 0.000 -1.250) 2.069 1.639 ( 0.082 0.000 -5.447) 5.448 1.670 ( 2.655 0.000 -0.199) 2.663 1.760 ( 2.652 0.000 0.421) 2.685 1.801 ( 1.265 0.000 -0.204) 1.282 1.901 ( 2.047 0.000 -1.671) 2.642 1.937 ( -3.721 0.000 2.227) 4.337 1.981 ( 2.277 0.000 -1.850) 2.934 1.981 ( -0.956 0.000 -1.316) 1.627 2.023 ( -1.191 0.000 -2.593) 2.854 2.036 ( 0.901 0.000 1.113) 1.432 2.104 ( -0.597 0.000 -0.394) 0.716 2.287 ( -3.837 0.000 2.723) 4.705 2.318 ( 8.249 0.000 -2.177) 8.531 2.580 ( 5.362 0.000 -2.253) 5.816 2.596 ( 3.170 0.000 0.960) 3.312 2.618 ( 3.176 0.000 -1.438) 3.486 2.645 ( 6.792 0.000 0.705) 6.829 2.891 ( 1.468 0.000 1.071) 1.818 2.999 ( -4.377 0.000 2.437) 5.009 3.118 ( -13.127 0.000 -0.365) 13.132 3.139 ( 1.724 0.000 0.752) 1.880 3.201 ( 2.123 0.000 0.240) 2.137 3.218 ( -8.196 0.000 -2.173) 8.479 3.508 ( 2.306 0.000 1.431) 2.714 3.591 ( 2.355 0.000 0.300) 2.374 3.837 ( 0.471 0.000 0.226) 0.523 3.844 ( 0.080 0.000 -0.066) 0.104 4.204 ( 0.715 0.000 -0.085) 0.720 4.215 ( -0.653 0.000 -0.204) 0.684 4.436 ( -4.350 0.000 1.358) 4.557 4.469 ( -0.920 0.000 -0.334) 0.979 4.557 ( 5.611 0.000 0.751) 5.661 4.588 ( 3.679 0.000 1.036) 3.822 4.759 ( 1.982 0.000 0.365) 2.015 4.837 ( -2.151 0.000 -0.421) 2.191 4.968 ( -2.177 0.000 0.158) 2.183 5.051 ( -4.901 0.000 0.575) 4.935 6.403 ( 0.454 0.000 0.845) 0.960 6.467 ( -0.084 0.000 -0.493) 0.500 8.540 ( -2.448 0.000 -0.063) 2.449 8.570 ( -1.316 0.000 -1.117) 1.726 13.233 ( -0.148 0.000 0.552) 0.572 13.267 ( -0.064 0.000 0.222) 0.231 13.309 ( -0.277 0.000 1.110) 1.144 13.326 ( 0.645 0.000 1.060) 1.241 13.506 ( 1.890 0.000 0.133) 1.895 13.607 ( 2.233 0.000 -0.620) 2.317 13.742 ( 0.336 0.000 -0.441) 0.555 13.885 ( 0.493 0.000 -1.181) 1.280 13.947 ( 4.519 0.000 4.095) 6.098 14.135 ( 2.664 0.000 -0.274) 2.678 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -3.892 0.000 5.441) 6.690 0.644 ( -0.665 0.000 0.031) 0.666 0.646 ( 0.814 0.000 0.805) 1.145 0.830 ( -5.077 0.000 1.622) 5.330 0.936 ( 1.324 0.000 -0.909) 1.606 0.946 ( 1.501 0.000 -2.783) 3.162 1.111 ( 0.325 0.000 -6.293) 6.301 1.132 ( 3.289 0.000 -1.500) 3.615 1.187 ( -0.135 0.000 0.095) 0.165 1.201 ( 3.178 0.000 1.078) 3.356 1.279 ( -2.500 0.000 0.709) 2.599 1.388 ( -4.116 0.000 -2.284) 4.707 1.460 ( -1.638 0.000 -1.919) 2.523 1.499 ( -0.874 0.000 -2.920) 3.048 1.548 ( 2.019 0.000 2.741) 3.405 1.586 ( -0.307 0.000 -3.354) 3.368 1.709 ( 1.864 0.000 -0.121) 1.868 1.754 ( -2.328 0.000 -2.783) 3.629 1.823 ( 1.059 0.000 1.704) 2.006 1.882 ( -1.905 0.000 -2.162) 2.882 1.936 ( 0.956 0.000 1.128) 1.479 1.937 ( -3.476 0.000 -0.640) 3.535 1.949 ( -2.411 0.000 -1.084) 2.643 2.020 ( 1.561 0.000 -1.132) 1.928 2.080 ( 3.834 0.000 -0.507) 3.867 2.083 ( 0.116 0.000 -0.677) 0.687 2.270 ( -2.133 0.000 1.821) 2.804 2.375 ( 1.420 0.000 -1.014) 1.744 2.505 ( -13.157 0.000 -0.937) 13.190 2.595 ( -3.082 0.000 -0.764) 3.175 2.598 ( -5.583 0.000 1.510) 5.784 2.682 ( -1.352 0.000 -1.390) 1.939 2.932 ( -2.775 0.000 2.711) 3.879 2.948 ( -1.392 0.000 -0.327) 1.430 3.097 ( 12.015 0.000 1.079) 12.064 3.146 ( -0.867 0.000 2.019) 2.198 3.211 ( 8.931 0.000 -2.495) 9.273 3.231 ( 1.892 0.000 -0.578) 1.978 3.555 ( 0.051 0.000 1.759) 1.760 3.596 ( -2.097 0.000 -0.438) 2.142 3.826 ( -1.305 0.000 0.204) 1.321 3.834 ( -1.046 0.000 0.024) 1.047 4.203 ( -0.168 0.000 -0.371) 0.407 4.227 ( 1.894 0.000 -0.182) 1.902 4.414 ( 0.218 0.000 1.167) 1.187 4.472 ( 1.659 0.000 -0.298) 1.685 4.608 ( -2.397 0.000 0.370) 2.425 4.614 ( -0.912 0.000 0.734) 1.170 4.783 ( 0.997 0.000 1.099) 1.484 4.793 ( -1.777 0.000 -0.993) 2.036 4.997 ( -0.422 0.000 -0.613) 0.745 5.030 ( 6.914 0.000 1.443) 7.063 6.425 ( 0.717 0.000 1.033) 1.257 6.454 ( -0.562 0.000 -0.770) 0.953 8.525 ( 0.735 0.000 0.004) 0.735 8.568 ( 2.505 0.000 -0.998) 2.697 13.239 ( -0.298 0.000 0.759) 0.815 13.268 ( 0.045 0.000 -0.083) 0.095 13.301 ( -2.095 0.000 1.040) 2.339 13.338 ( -0.657 0.000 0.805) 1.039 13.518 ( -0.920 0.000 0.419) 1.011 13.601 ( -0.881 0.000 -2.188) 2.358 13.733 ( -2.588 0.000 2.116) 3.343 13.856 ( -1.849 0.000 -1.403) 2.321 14.062 ( 3.075 0.000 4.424) 5.388 14.125 ( -2.105 0.000 -1.888) 2.827 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -7.514 0.000 -4.038) 8.530 0.564 ( -5.594 0.000 2.235) 6.024 0.675 ( -1.669 0.000 5.859) 6.092 0.734 ( -5.530 0.000 1.386) 5.701 0.887 ( -2.877 0.000 -5.032) 5.797 0.889 ( 0.466 0.000 -5.583) 5.603 1.103 ( 2.623 0.000 -3.133) 4.086 1.141 ( -1.415 0.000 2.771) 3.112 1.208 ( -0.809 0.000 0.697) 1.068 1.229 ( 2.239 0.000 1.162) 2.523 1.288 ( -2.110 0.000 -3.866) 4.404 1.360 ( 3.624 0.000 2.948) 4.672 1.426 ( -0.533 0.000 1.464) 1.558 1.490 ( 1.810 0.000 -0.909) 2.026 1.542 ( -0.929 0.000 -1.745) 1.977 1.580 ( -3.435 0.000 2.733) 4.389 1.671 ( -1.831 0.000 -3.869) 4.280 1.733 ( 1.041 0.000 0.148) 1.052 1.798 ( -5.384 0.000 -1.887) 5.705 1.810 ( -13.435 0.000 -0.902) 13.465 1.835 ( -7.947 0.000 0.161) 7.948 1.864 ( 1.499 0.000 1.321) 1.998 1.971 ( 1.487 0.000 0.238) 1.506 2.030 ( 0.645 0.000 0.188) 0.672 2.094 ( 1.642 0.000 -0.468) 1.708 2.110 ( -2.505 0.000 -1.685) 3.019 2.195 ( -3.070 0.000 -1.694) 3.506 2.339 ( -5.364 0.000 1.611) 5.601 2.365 ( -0.424 0.000 1.942) 1.988 2.493 ( -0.490 0.000 -1.415) 1.498 2.555 ( -4.300 0.000 0.822) 4.378 2.627 ( -2.463 0.000 -2.121) 3.250 2.941 ( 0.770 0.000 -0.680) 1.027 2.945 ( -0.653 0.000 3.915) 3.969 3.143 ( -2.010 0.000 1.234) 2.359 3.200 ( -0.596 0.000 -1.099) 1.250 3.384 ( 14.358 0.000 1.713) 14.459 3.387 ( 12.138 0.000 -0.812) 12.165 3.521 ( -4.572 0.000 -1.232) 4.735 3.528 ( -4.016 0.000 -0.023) 4.016 3.814 ( -1.314 0.000 0.033) 1.314 3.832 ( 1.364 0.000 0.991) 1.686 4.202 ( 0.593 0.000 -0.372) 0.700 4.251 ( 1.436 0.000 -0.738) 1.614 4.449 ( -0.033 0.000 0.787) 0.787 4.470 ( -3.804 0.000 -0.552) 3.844 4.554 ( -4.208 0.000 0.007) 4.208 4.583 ( 2.283 0.000 0.104) 2.285 4.750 ( -1.048 0.000 -1.450) 1.789 4.839 ( 2.621 0.000 2.310) 3.494 5.036 ( 4.666 0.000 -0.222) 4.671 5.167 ( 7.056 0.000 0.187) 7.059 6.432 ( -0.784 0.000 -0.825) 1.138 6.447 ( 0.547 0.000 0.700) 0.889 8.564 ( 3.375 0.000 0.483) 3.409 8.622 ( 4.994 0.000 -1.065) 5.106 13.233 ( -1.894 0.000 1.042) 2.162 13.254 ( -2.395 0.000 -0.146) 2.400 13.279 ( -0.999 0.000 0.761) 1.256 13.326 ( -1.074 0.000 -0.079) 1.077 13.490 ( -3.034 0.000 0.841) 3.149 13.537 ( -2.832 0.000 -2.403) 3.714 13.704 ( -4.819 0.000 3.192) 5.780 13.798 ( -2.647 0.000 -1.473) 3.029 14.029 ( -5.344 0.000 -3.107) 6.182 14.156 ( 2.412 0.000 3.032) 3.874 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -9.273 0.000 5.389) 10.725 0.453 ( -9.453 0.000 2.083) 9.679 0.709 ( -1.145 0.000 1.561) 1.936 0.749 ( 0.302 0.000 5.821) 5.829 0.759 ( -4.006 0.000 -2.662) 4.810 0.824 ( 1.253 0.000 -7.377) 7.483 1.073 ( -1.136 0.000 -2.327) 2.589 1.133 ( -3.624 0.000 1.303) 3.851 1.174 ( -17.548 0.000 2.867) 17.781 1.221 ( -1.599 0.000 0.227) 1.615 1.281 ( 0.997 0.000 -0.377) 1.066 1.311 ( -2.044 0.000 1.093) 2.318 1.420 ( -16.701 0.000 -2.517) 16.889 1.453 ( -2.787 0.000 0.226) 2.796 1.498 ( -1.082 0.000 -0.274) 1.116 1.556 ( 0.993 0.000 3.866) 3.991 1.570 ( -3.145 0.000 1.830) 3.638 1.663 ( 2.247 0.000 -1.503) 2.703 1.706 ( -0.249 0.000 -0.823) 0.860 1.714 ( -2.498 0.000 -0.442) 2.537 1.804 ( 2.154 0.000 1.115) 2.426 1.906 ( 1.753 0.000 1.133) 2.087 1.992 ( 1.021 0.000 -0.017) 1.021 2.019 ( -2.352 0.000 -2.277) 3.274 2.059 ( -0.331 0.000 3.966) 3.980 2.112 ( 1.008 0.000 -0.668) 1.209 2.181 ( 0.012 0.000 -0.923) 0.923 2.296 ( -2.371 0.000 1.421) 2.764 2.415 ( 1.880 0.000 0.174) 1.888 2.467 ( -4.296 0.000 0.627) 4.342 2.524 ( 2.431 0.000 -1.350) 2.780 2.565 ( -0.672 0.000 -2.003) 2.112 2.952 ( 1.319 0.000 -0.449) 1.393 2.981 ( -1.264 0.000 3.283) 3.518 3.113 ( -2.351 0.000 0.142) 2.355 3.151 ( -2.545 0.000 -1.849) 3.145 3.424 ( -4.099 0.000 -0.537) 4.134 3.451 ( -2.689 0.000 -0.049) 2.690 3.574 ( 8.868 0.000 -0.176) 8.869 3.643 ( 12.388 0.000 1.079) 12.435 3.802 ( 0.792 0.000 -0.197) 0.816 3.879 ( 2.909 0.000 0.399) 2.936 4.210 ( 0.323 0.000 -0.510) 0.604 4.254 ( 0.010 0.000 -0.944) 0.944 4.342 ( -9.265 0.000 -0.372) 9.273 4.354 ( -7.175 0.000 -2.296) 7.533 4.568 ( 2.349 0.000 0.494) 2.400 4.657 ( 4.709 0.000 -0.378) 4.725 4.743 ( 2.091 0.000 -0.868) 2.264 4.904 ( 1.543 0.000 1.247) 1.984 5.113 ( 3.919 0.000 0.263) 3.927 5.247 ( 3.572 0.000 -1.996) 4.092 6.411 ( -0.572 0.000 -0.593) 0.824 6.458 ( 0.108 0.000 0.137) 0.174 8.641 ( 4.230 0.000 1.266) 4.416 8.698 ( 5.128 0.000 -0.517) 5.154 13.198 ( -3.824 0.000 0.390) 3.844 13.202 ( -3.591 0.000 1.829) 4.030 13.278 ( -0.123 0.000 0.273) 0.299 13.302 ( -0.686 0.000 -1.387) 1.547 13.444 ( -3.601 0.000 0.956) 3.726 13.464 ( -2.325 0.000 -2.052) 3.101 13.652 ( -5.738 0.000 3.148) 6.545 13.740 ( -1.695 0.000 -1.867) 2.522 13.886 ( -6.316 0.000 -3.473) 7.208 14.182 ( -0.333 0.000 -5.199) 5.209 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -6.228 0.000 7.238) 9.549 0.466 ( -0.636 0.000 16.497) 16.509 0.646 ( -3.685 0.000 -2.342) 4.367 0.650 ( -14.514 0.000 4.291) 15.135 0.783 ( -5.201 0.000 -2.305) 5.689 0.827 ( -5.218 0.000 0.834) 5.284 0.873 ( 1.626 0.000 7.663) 7.834 0.968 ( -15.294 0.000 -2.106) 15.439 1.043 ( 0.519 0.000 -2.860) 2.907 1.137 ( -4.367 0.000 -0.076) 4.368 1.232 ( -2.279 0.000 1.651) 2.814 1.311 ( 0.882 0.000 0.405) 0.971 1.375 ( 1.914 0.000 3.834) 4.285 1.417 ( 0.572 0.000 -2.916) 2.971 1.479 ( -2.281 0.000 1.810) 2.912 1.571 ( -0.510 0.000 -0.631) 0.811 1.575 ( 1.009 0.000 0.183) 1.025 1.671 ( -0.052 0.000 -1.981) 1.982 1.716 ( 2.764 0.000 0.914) 2.911 1.749 ( 1.780 0.000 1.545) 2.357 1.860 ( 0.841 0.000 -0.604) 1.036 1.956 ( 2.982 0.000 0.891) 3.113 1.988 ( 1.046 0.000 0.758) 1.292 2.004 ( 0.817 0.000 -0.860) 1.186 2.108 ( -1.024 0.000 0.124) 1.032 2.122 ( -0.908 0.000 5.001) 5.082 2.191 ( 4.749 0.000 1.351) 4.937 2.267 ( -2.426 0.000 0.533) 2.484 2.381 ( -3.130 0.000 -1.976) 3.701 2.409 ( -2.740 0.000 -0.374) 2.766 2.554 ( 2.706 0.000 -1.280) 2.993 2.573 ( 1.470 0.000 -0.938) 1.744 2.957 ( -4.352 0.000 0.740) 4.414 2.969 ( 0.998 0.000 -0.369) 1.064 3.074 ( -1.494 0.000 -0.793) 1.691 3.093 ( -1.353 0.000 -1.414) 1.957 3.363 ( -2.533 0.000 -0.063) 2.534 3.425 ( -1.819 0.000 -1.383) 2.285 3.673 ( 3.299 0.000 -0.043) 3.300 3.790 ( 4.189 0.000 -1.558) 4.469 3.868 ( 6.263 0.000 1.182) 6.373 3.940 ( 4.191 0.000 -0.460) 4.216 4.131 ( -7.817 0.000 -1.267) 7.919 4.141 ( -11.066 0.000 -3.249) 11.534 4.256 ( -0.602 0.000 0.130) 0.616 4.259 ( -1.008 0.000 0.895) 1.348 4.596 ( 0.918 0.000 -0.240) 0.949 4.658 ( -2.902 0.000 -3.764) 4.753 4.788 ( 3.085 0.000 0.120) 3.088 4.900 ( -0.711 0.000 -0.947) 1.184 5.167 ( 1.828 0.000 0.658) 1.943 5.268 ( 1.574 0.000 -0.184) 1.585 6.401 ( 0.070 0.000 -0.124) 0.143 6.455 ( -0.287 0.000 -0.380) 0.476 8.723 ( 2.731 0.000 2.030) 3.403 8.797 ( 6.312 0.000 1.334) 6.451 13.148 ( -2.711 0.000 0.698) 2.799 13.168 ( -3.127 0.000 2.244) 3.848 13.273 ( -0.164 0.000 -2.013) 2.020 13.282 ( 0.140 0.000 0.487) 0.507 13.400 ( -2.582 0.000 0.603) 2.651 13.414 ( -0.384 0.000 -2.164) 2.198 13.597 ( -4.689 0.000 2.761) 5.442 13.700 ( 0.197 0.000 -2.527) 2.534 13.754 ( -4.017 0.000 -2.948) 4.983 13.909 ( -17.571 0.000 -12.972) 21.841 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 1.299 1.603 5.718) 6.078 0.486 ( -3.221 3.493 3.848) 6.114 0.619 ( -0.679 -1.161 2.936) 3.229 0.667 ( -0.159 -2.261 0.438) 2.308 0.702 ( 2.011 -5.269 0.505) 5.663 0.855 ( 0.973 1.140 2.133) 2.607 0.893 ( 0.536 -1.026 2.846) 3.072 0.939 ( 0.175 3.341 3.411) 4.778 1.026 ( -0.002 2.422 -2.188) 3.264 1.132 ( 1.797 0.029 0.455) 1.854 1.236 ( -2.063 1.457 1.370) 2.873 1.288 ( -0.048 -3.027 1.501) 3.379 1.348 ( 2.358 -1.609 0.518) 2.902 1.436 ( 0.133 -0.984 0.203) 1.013 1.482 ( -2.566 0.589 1.895) 3.244 1.555 ( 1.232 -0.241 1.121) 1.683 1.651 ( -0.222 3.825 1.037) 3.969 1.719 ( 0.021 1.085 -0.345) 1.139 1.735 ( 5.919 1.628 -1.357) 6.287 1.766 ( -1.919 -1.488 -0.514) 2.482 1.828 ( 0.669 0.231 0.283) 0.762 1.974 ( -0.288 -2.511 -1.728) 3.061 1.992 ( -0.114 -1.305 1.173) 1.758 2.025 ( 0.098 -1.927 -1.367) 2.365 2.101 ( 2.893 1.665 2.803) 4.359 2.168 ( -1.512 2.950 2.525) 4.167 2.245 ( 1.030 -0.329 -0.883) 1.396 2.290 ( -2.263 -1.982 0.908) 3.143 2.325 ( 1.032 1.393 -3.290) 3.719 2.372 ( -1.629 0.025 -1.439) 2.174 2.549 ( -0.913 0.472 -0.824) 1.318 2.575 ( 1.648 -0.475 -1.023) 1.997 2.924 ( -0.757 0.885 0.707) 1.362 2.963 ( -0.262 -0.546 -0.578) 0.837 3.053 ( -0.002 0.360 -0.951) 1.017 3.073 ( 0.887 -0.536 -1.034) 1.464 3.317 ( -3.182 -0.042 0.758) 3.271 3.337 ( -0.652 -0.453 -0.035) 0.795 3.723 ( 0.465 1.020 0.387) 1.186 3.765 ( -2.358 -0.637 -0.494) 2.492 3.974 ( -3.499 0.326 1.537) 3.835 3.998 ( -3.377 -0.759 0.657) 3.523 4.028 ( 5.410 0.185 0.109) 5.415 4.034 ( 4.839 -0.143 -0.372) 4.856 4.258 ( -0.078 0.020 0.465) 0.472 4.265 ( 0.880 -0.172 0.422) 0.991 4.577 ( -1.841 0.416 0.716) 2.019 4.598 ( -0.441 -0.200 -0.062) 0.488 4.839 ( 1.104 0.624 0.318) 1.307 4.875 ( -0.416 -0.800 -0.754) 1.175 5.204 ( 0.047 1.019 0.755) 1.269 5.262 ( 0.038 -1.395 -0.962) 1.694 6.416 ( 0.688 0.371 0.178) 0.802 6.436 ( -0.330 -0.416 -0.616) 0.813 8.783 ( -0.321 1.171 1.977) 2.320 8.857 ( 1.534 -2.184 -0.019) 2.669 13.138 ( -0.301 0.729 0.784) 1.112 13.162 ( -0.827 0.042 1.509) 1.721 13.264 ( 0.806 0.596 -1.327) 1.663 13.287 ( 0.026 -0.244 0.341) 0.420 13.381 ( -0.090 0.633 -1.252) 1.406 13.402 ( 1.882 -0.131 -2.502) 3.133 13.566 ( -4.359 0.408 1.463) 4.616 13.589 ( -3.619 -0.622 0.637) 3.726 13.679 ( 0.886 0.953 -2.582) 2.891 13.714 ( 2.875 -0.462 -2.157) 3.624 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -0.649 1.209 3.274) 3.550 0.612 ( -0.501 -3.916 -3.369) 5.190 0.628 ( 9.519 1.563 3.731) 10.343 0.733 ( 2.517 -0.210 6.654) 7.117 0.807 ( -1.328 -3.013 -2.138) 3.926 0.865 ( 12.690 -7.104 -1.323) 14.603 0.927 ( 2.712 1.206 -0.791) 3.072 1.014 ( 6.671 0.635 0.361) 6.710 1.080 ( 6.608 1.819 0.562) 6.877 1.186 ( 3.477 3.857 0.386) 5.207 1.239 ( 0.597 0.114 1.824) 1.922 1.317 ( 0.031 -1.447 2.019) 2.484 1.383 ( 2.261 -1.975 -0.830) 3.115 1.423 ( -1.090 0.018 -0.210) 1.110 1.482 ( -0.146 2.383 1.681) 2.920 1.606 ( 2.848 -1.320 0.808) 3.241 1.646 ( -1.051 4.355 0.188) 4.484 1.706 ( -0.836 1.270 1.247) 1.967 1.753 ( 0.794 -0.371 0.187) 0.897 1.773 ( -0.090 -0.234 -2.415) 2.428 1.855 ( 1.863 0.671 0.781) 2.128 1.940 ( -0.622 -0.673 -2.095) 2.287 2.000 ( -0.898 -1.170 -0.694) 1.630 2.005 ( 0.386 -3.962 0.333) 3.994 2.159 ( -2.742 3.068 2.902) 5.035 2.194 ( 3.364 1.464 0.055) 3.669 2.229 ( -0.412 1.559 -0.386) 1.658 2.284 ( -0.955 -0.535 0.315) 1.139 2.329 ( 3.973 -0.914 0.196) 4.082 2.352 ( 1.703 -0.599 -0.431) 1.856 2.515 ( -1.624 1.150 -1.294) 2.374 2.575 ( -0.440 -1.148 -0.701) 1.415 2.922 ( -1.119 0.735 1.014) 1.679 2.956 ( 0.111 -0.242 -0.052) 0.271 3.044 ( 0.190 0.405 -0.525) 0.689 3.084 ( 1.972 -1.340 -1.319) 2.725 3.334 ( 3.438 0.555 0.554) 3.526 3.361 ( 2.786 -0.555 0.221) 2.849 3.692 ( -5.610 0.466 -0.047) 5.629 3.712 ( -3.296 -0.263 0.968) 3.446 3.894 ( -5.031 0.208 1.124) 5.159 3.917 ( -5.337 -0.860 -0.013) 5.406 4.156 ( 7.910 0.137 -1.305) 8.018 4.165 ( 8.270 -0.183 -1.141) 8.350 4.262 ( 0.376 0.670 0.117) 0.777 4.289 ( 1.783 -0.411 -0.125) 1.835 4.562 ( -1.302 0.700 0.802) 1.681 4.585 ( -1.442 -0.140 0.366) 1.494 4.840 ( -2.254 -0.017 -0.998) 2.465 4.848 ( -0.513 -0.349 0.591) 0.857 5.203 ( -1.513 0.399 1.143) 1.938 5.229 ( -2.037 -0.693 -1.394) 2.563 6.422 ( -0.381 0.163 -0.707) 0.820 6.432 ( 0.881 -0.255 0.201) 0.938 8.768 ( -3.927 1.040 1.567) 4.354 8.830 ( -3.620 -1.507 -0.867) 4.016 13.166 ( 2.210 0.480 0.885) 2.428 13.185 ( 1.886 -0.188 0.718) 2.027 13.268 ( 0.557 0.919 -0.314) 1.120 13.288 ( -0.134 0.150 -0.121) 0.235 13.375 ( 1.314 0.678 -1.073) 1.827 13.415 ( 2.828 -0.560 -1.367) 3.191 13.568 ( 1.998 0.043 2.144) 2.931 13.603 ( 2.845 -1.852 0.338) 3.412 13.709 ( 5.346 2.093 -1.732) 5.997 13.778 ( 7.468 -1.012 -2.478) 7.933 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -2.590 0.149 3.167) 4.094 0.549 ( -1.375 -4.861 -2.142) 5.487 0.732 ( 0.028 -2.531 -2.911) 3.858 0.786 ( 0.753 -3.688 1.867) 4.202 0.820 ( 1.068 1.790 3.809) 4.342 0.928 ( 3.404 0.612 -1.779) 3.890 1.054 ( 1.069 2.781 -0.754) 3.074 1.126 ( 8.752 0.391 -1.860) 8.956 1.211 ( 8.893 -1.183 -0.965) 9.023 1.268 ( -1.919 4.318 3.225) 5.721 1.296 ( 0.764 -4.025 -1.735) 4.449 1.379 ( 9.935 1.240 -1.570) 10.134 1.412 ( 5.921 -0.698 1.438) 6.133 1.453 ( 5.925 -2.337 -1.297) 6.500 1.501 ( -0.045 1.529 1.151) 1.914 1.639 ( 0.883 2.464 -0.120) 2.620 1.659 ( 3.582 -1.649 -1.366) 4.174 1.692 ( -2.728 -1.760 -2.939) 4.379 1.740 ( 2.992 1.081 0.551) 3.229 1.794 ( 3.073 0.473 1.729) 3.558 1.899 ( 1.264 0.933 -1.253) 2.009 1.909 ( 0.456 1.683 0.294) 1.769 1.978 ( -0.019 -1.581 -1.391) 2.106 2.016 ( -0.430 -2.488 1.123) 2.763 2.128 ( -3.885 3.773 1.802) 5.708 2.187 ( -1.157 3.045 -2.003) 3.824 2.251 ( 1.194 -0.594 -0.578) 1.454 2.287 ( 1.440 -2.555 0.803) 3.041 2.400 ( 0.561 0.715 1.169) 1.481 2.425 ( 5.567 0.208 0.154) 5.573 2.497 ( 3.497 0.389 -0.893) 3.630 2.553 ( -0.835 -1.523 -0.348) 1.771 2.913 ( -1.556 1.452 1.367) 2.529 2.974 ( 0.974 -0.829 1.319) 1.838 3.054 ( 1.153 0.372 0.394) 1.274 3.106 ( 2.350 -1.631 -1.023) 3.038 3.405 ( 4.037 0.301 -0.382) 4.066 3.417 ( 3.097 -0.241 0.081) 3.108 3.574 ( -8.916 1.137 0.480) 9.001 3.628 ( -7.877 -0.986 0.829) 7.982 3.835 ( -3.293 -0.007 -0.133) 3.296 3.847 ( -2.303 -0.278 0.759) 2.441 4.222 ( 1.826 0.374 -1.458) 2.366 4.233 ( 1.024 0.053 -0.825) 1.316 4.317 ( 7.198 0.555 -0.860) 7.271 4.347 ( 6.279 -0.553 -0.766) 6.350 4.545 ( -1.898 0.323 0.609) 2.019 4.557 ( -3.025 -0.145 1.069) 3.211 4.786 ( -2.338 0.887 -0.931) 2.668 4.843 ( -0.816 -1.335 0.682) 1.707 5.161 ( -4.295 0.243 -0.962) 4.408 5.177 ( -3.521 -0.373 1.377) 3.799 6.409 ( -0.301 0.744 -0.458) 0.924 6.448 ( 0.711 -0.798 0.064) 1.071 8.698 ( -5.724 0.735 0.721) 5.815 8.735 ( -5.662 -0.775 -1.032) 5.807 13.221 ( 2.607 0.296 0.966) 2.796 13.233 ( 2.817 -0.149 -0.036) 2.821 13.265 ( -0.831 0.783 0.615) 1.297 13.282 ( -0.251 0.026 0.042) 0.256 13.408 ( 3.719 1.121 -0.646) 3.938 13.467 ( 4.505 -0.827 -0.494) 4.607 13.657 ( 4.693 -0.403 1.867) 5.067 13.675 ( 4.640 -1.660 0.695) 4.977 13.800 ( 6.555 2.359 -0.453) 6.981 13.892 ( 9.246 -1.628 -2.247) 9.653 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -0.470 -0.426 5.455) 5.492 0.542 ( 1.103 -3.776 1.468) 4.199 0.719 ( 2.680 -3.307 -2.394) 4.884 0.747 ( -2.179 -2.734 -2.363) 4.220 0.889 ( 1.577 1.893 1.253) 2.764 0.989 ( 5.457 -0.297 -1.479) 5.662 1.004 ( -0.595 5.964 -3.008) 6.706 1.188 ( -3.124 1.558 -0.485) 3.525 1.249 ( -0.774 3.771 1.929) 4.305 1.298 ( 2.274 -0.990 -2.284) 3.371 1.313 ( 4.919 -1.133 1.353) 5.226 1.455 ( 3.663 -4.145 -0.900) 5.605 1.470 ( 0.543 -3.056 -3.265) 4.505 1.492 ( -0.846 0.466 -0.792) 1.249 1.531 ( 0.614 -3.100 -1.621) 3.552 1.605 ( -2.296 -2.051 -0.614) 3.139 1.681 ( 2.888 2.303 -0.915) 3.805 1.734 ( 3.406 -1.081 -1.197) 3.769 1.814 ( 4.089 2.630 -1.036) 4.971 1.887 ( 4.384 1.917 -1.592) 5.042 1.931 ( 3.688 -0.280 1.086) 3.855 1.957 ( 5.691 -0.898 -1.148) 5.875 1.983 ( 2.073 -0.015 0.734) 2.199 2.011 ( -1.878 -0.075 2.149) 2.854 2.086 ( -2.261 3.315 0.950) 4.123 2.124 ( -2.632 1.989 -2.563) 4.178 2.252 ( 3.454 0.561 -3.200) 4.742 2.331 ( -1.131 -0.890 1.424) 2.025 2.427 ( 6.860 -0.377 0.326) 6.878 2.499 ( 3.812 -1.286 -1.376) 4.252 2.557 ( 2.557 0.291 0.588) 2.640 2.586 ( 4.843 -0.279 -0.434) 4.870 2.905 ( -1.048 1.796 0.816) 2.234 2.997 ( -0.873 -1.811 1.536) 2.530 3.094 ( 2.142 0.421 1.264) 2.523 3.141 ( 2.336 -1.394 0.284) 2.736 3.371 ( -12.243 0.732 -0.215) 12.267 3.400 ( -8.984 -0.405 0.208) 8.996 3.476 ( 1.609 1.336 0.056) 2.092 3.536 ( 0.918 -1.106 -0.517) 1.528 3.817 ( 0.884 0.351 0.207) 0.974 3.837 ( -0.084 -0.331 0.564) 0.659 4.215 ( -0.383 0.637 -0.639) 0.980 4.228 ( -0.491 0.121 -0.137) 0.524 4.438 ( 7.267 0.127 -0.004) 7.268 4.458 ( 6.190 -0.632 -0.075) 6.223 4.506 ( -4.006 0.146 0.867) 4.101 4.516 ( -1.890 -0.149 0.881) 2.091 4.753 ( -0.145 1.466 -0.557) 1.575 4.839 ( -0.787 -1.926 0.547) 2.151 5.066 ( -5.742 1.048 -0.518) 5.860 5.117 ( -5.300 -1.003 1.037) 5.492 6.404 ( 0.017 1.034 0.131) 1.042 6.457 ( 0.381 -1.046 -0.094) 1.117 8.609 ( -4.919 0.505 0.039) 4.945 8.632 ( -4.626 -0.417 -1.054) 4.763 13.244 ( -0.430 0.741 -0.097) 0.862 13.261 ( 0.567 0.004 0.454) 0.726 13.289 ( 1.064 -0.004 1.119) 1.544 13.292 ( 1.252 -0.009 1.164) 1.710 13.471 ( 4.020 1.401 -0.332) 4.270 13.541 ( 4.441 -1.074 -0.280) 4.577 13.728 ( 3.203 0.213 -0.754) 3.297 13.779 ( 4.234 -2.165 2.515) 5.379 13.900 ( 5.201 2.855 0.151) 5.935 14.021 ( 7.454 -2.397 -0.437) 7.842 ======================= Grid point 103 (56/96) ======================= q-point: ( 0.44 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -0.661 -1.016 7.200) 7.301 0.600 ( 0.937 -2.281 3.845) 4.568 0.693 ( 1.236 1.362 -3.508) 3.961 0.763 ( 3.780 -4.866 -1.012) 6.244 0.898 ( -0.255 2.757 -0.390) 2.796 0.981 ( 1.422 0.276 -0.720) 1.618 1.070 ( 3.723 1.790 -1.636) 4.443 1.136 ( -0.936 0.378 0.582) 1.166 1.238 ( -1.535 3.775 -0.011) 4.075 1.277 ( -1.297 0.982 -3.861) 4.190 1.349 ( -2.686 -0.956 -3.186) 4.276 1.428 ( 1.826 -0.887 -0.155) 2.036 1.462 ( 0.951 -0.586 -0.796) 1.372 1.480 ( -1.880 -3.941 -1.726) 4.695 1.521 ( 0.123 -3.074 -1.465) 3.407 1.595 ( 2.284 -5.164 0.262) 5.653 1.660 ( -0.389 1.530 -4.829) 5.080 1.752 ( 0.999 -1.537 -1.274) 2.232 1.844 ( 1.490 3.511 -0.263) 3.823 1.944 ( -0.012 0.530 0.252) 0.587 1.947 ( 1.656 1.946 -1.033) 2.756 1.969 ( -1.668 2.080 1.098) 2.884 1.992 ( 0.331 -0.021 -2.051) 2.078 2.042 ( 0.183 0.425 0.869) 0.984 2.049 ( -1.055 0.671 -1.261) 1.776 2.088 ( -0.674 -1.417 -0.094) 1.572 2.297 ( -1.483 1.572 1.181) 2.463 2.338 ( 4.832 1.079 -1.594) 5.201 2.569 ( 7.080 -0.817 -1.782) 7.346 2.583 ( 5.309 -1.133 0.254) 5.434 2.621 ( 2.654 0.313 -0.388) 2.700 2.642 ( 4.267 -0.314 0.510) 4.308 2.905 ( 0.751 1.321 0.914) 1.773 2.981 ( -3.509 -1.699 1.866) 4.322 3.121 ( -6.987 0.563 -0.441) 7.024 3.156 ( -3.535 1.416 0.677) 3.868 3.180 ( -0.123 -1.687 -0.379) 1.733 3.213 ( -6.631 -0.734 -1.017) 6.749 3.523 ( 2.298 1.378 1.328) 2.990 3.581 ( 2.318 -0.959 0.538) 2.565 3.839 ( 0.558 0.187 0.137) 0.604 3.844 ( 0.085 0.020 -0.006) 0.087 4.209 ( 0.408 0.421 -0.187) 0.615 4.217 ( -0.451 0.128 -0.254) 0.533 4.443 ( -3.654 0.673 1.312) 3.940 4.468 ( -1.159 -0.211 0.160) 1.189 4.559 ( 5.470 0.303 0.672) 5.520 4.582 ( 3.992 -0.523 0.885) 4.122 4.768 ( 1.569 0.879 0.429) 1.849 4.822 ( -1.436 -1.326 -0.163) 1.961 4.978 ( -2.919 1.000 -0.071) 3.086 5.037 ( -4.663 -1.281 0.314) 4.846 6.412 ( 0.381 0.900 0.666) 1.183 6.458 ( -0.003 -0.876 -0.278) 0.919 8.545 ( -2.289 0.464 -0.227) 2.346 8.567 ( -1.490 -0.376 -0.971) 1.817 13.242 ( -0.198 0.765 0.555) 0.966 13.266 ( -0.126 -0.201 0.322) 0.400 13.312 ( -0.171 0.292 1.185) 1.232 13.325 ( 0.476 -0.193 1.143) 1.253 13.521 ( 2.056 1.419 -0.213) 2.507 13.594 ( 2.278 -1.308 -0.902) 2.777 13.754 ( 0.401 1.261 0.226) 1.343 13.847 ( 1.133 -2.795 0.682) 3.092 13.983 ( 3.591 2.737 1.691) 4.821 14.108 ( 2.909 -2.562 -0.281) 3.886 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -2.897 -0.149 7.150) 7.716 0.638 ( -1.730 0.130 2.635) 3.155 0.698 ( 1.395 3.491 -1.015) 3.894 0.791 ( -0.174 -3.320 0.128) 3.327 0.906 ( 1.130 -0.008 -0.948) 1.474 0.988 ( 0.444 1.451 -3.047) 3.404 1.068 ( -0.598 -3.358 -1.658) 3.793 1.118 ( -0.857 -2.499 -2.710) 3.785 1.186 ( -2.335 1.906 -0.540) 3.062 1.228 ( 1.096 1.777 -1.341) 2.481 1.320 ( 0.392 1.807 0.392) 1.890 1.364 ( -2.930 -2.310 -2.890) 4.720 1.443 ( -1.048 -0.417 -0.615) 1.285 1.481 ( -0.148 -0.415 -1.083) 1.169 1.536 ( 2.809 -1.777 1.462) 3.631 1.582 ( -0.869 0.907 -4.367) 4.544 1.647 ( 2.032 -4.746 -0.399) 5.178 1.716 ( -1.878 -3.586 -3.587) 5.409 1.868 ( 0.741 3.671 1.358) 3.984 1.923 ( -1.396 2.511 -2.060) 3.535 1.936 ( -1.806 0.009 -0.685) 1.931 1.957 ( -0.338 1.630 0.321) 1.695 1.968 ( -0.859 2.003 0.229) 2.191 2.038 ( 0.203 0.724 -0.653) 0.996 2.064 ( 1.427 -0.551 -0.013) 1.530 2.089 ( 1.222 -0.805 -0.049) 1.464 2.284 ( -1.569 1.693 0.843) 2.457 2.366 ( 0.905 -1.015 -1.304) 1.884 2.511 ( -12.776 0.694 -0.528) 12.806 2.577 ( -8.396 -1.814 0.263) 8.594 2.609 ( -1.108 1.254 0.411) 1.723 2.672 ( -1.292 -1.064 -1.013) 1.957 2.930 ( -1.935 -0.048 1.901) 2.713 2.943 ( -0.971 -0.460 -0.019) 1.074 3.103 ( 8.713 0.897 0.713) 8.788 3.152 ( 1.823 0.026 1.719) 2.506 3.204 ( 7.682 -0.377 -1.856) 7.912 3.224 ( 2.923 -0.673 -0.382) 3.024 3.565 ( -0.378 0.814 1.499) 1.747 3.593 ( -1.873 -0.345 -0.051) 1.905 3.829 ( -1.172 0.257 0.155) 1.210 3.834 ( -1.025 -0.017 0.039) 1.026 4.208 ( 0.103 0.447 -0.378) 0.594 4.225 ( 1.447 -0.216 -0.292) 1.491 4.432 ( 0.711 1.522 1.125) 2.022 4.474 ( 1.821 0.012 0.044) 1.822 4.603 ( -2.398 -0.337 0.306) 2.441 4.610 ( -1.353 -0.389 0.482) 1.488 4.787 ( 0.155 0.391 0.795) 0.900 4.797 ( -1.260 0.243 -0.367) 1.335 4.990 ( 1.008 -0.405 -0.327) 1.135 5.017 ( 5.544 -1.158 0.805) 5.721 6.430 ( 0.538 0.428 0.787) 1.045 6.450 ( -0.373 -0.356 -0.492) 0.713 8.532 ( 0.980 0.619 -0.150) 1.169 8.562 ( 2.220 -0.587 -0.857) 2.450 13.247 ( -0.206 0.734 0.692) 1.030 13.268 ( 0.115 -0.069 0.126) 0.184 13.307 ( -2.014 0.558 1.048) 2.338 13.333 ( -0.900 -0.416 0.935) 1.363 13.529 ( -0.856 1.099 -0.089) 1.396 13.588 ( -0.840 -1.184 -1.925) 2.411 13.750 ( -2.466 1.655 1.998) 3.580 13.840 ( -1.767 -1.646 -0.425) 2.452 14.058 ( 1.752 -0.075 2.862) 3.356 14.108 ( -1.496 -1.628 -1.473) 2.657 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -7.755 1.338 0.347) 7.877 0.640 ( -2.683 -0.425 5.140) 5.813 0.662 ( -4.945 4.773 -0.556) 6.895 0.757 ( -1.335 -0.014 -2.190) 2.565 0.869 ( -0.296 -0.106 -3.556) 3.569 0.922 ( -3.296 3.025 -2.945) 5.357 1.048 ( 2.475 -4.841 -3.275) 6.347 1.132 ( -0.815 -6.121 2.590) 6.696 1.168 ( -1.685 2.411 2.683) 3.981 1.226 ( 1.454 0.095 -0.381) 1.506 1.272 ( -2.820 -2.285 -1.670) 3.995 1.378 ( 0.390 -4.264 3.042) 5.252 1.416 ( 1.407 4.062 -1.954) 4.722 1.497 ( -1.402 -0.089 -0.369) 1.453 1.521 ( 1.463 2.421 -1.174) 3.063 1.595 ( 0.921 -1.685 0.121) 1.924 1.622 ( -2.401 -4.140 -4.233) 6.390 1.660 ( -0.168 -4.067 1.160) 4.233 1.821 ( -11.693 3.072 -0.235) 12.092 1.855 ( -4.222 3.338 -2.053) 5.761 1.905 ( -1.244 3.952 1.899) 4.558 1.930 ( -3.624 4.458 0.011) 5.745 1.973 ( 0.805 0.297 0.614) 1.055 2.022 ( -0.824 -0.621 -0.459) 1.129 2.068 ( -1.977 -1.481 -0.155) 2.475 2.112 ( 0.526 -2.465 0.100) 2.523 2.200 ( -4.896 1.791 -1.808) 5.517 2.311 ( -4.680 -2.301 0.206) 5.219 2.386 ( 0.176 1.591 1.505) 2.197 2.474 ( 0.148 -1.828 -1.021) 2.099 2.570 ( -4.108 1.353 0.586) 4.364 2.621 ( -2.702 -0.607 -1.523) 3.161 2.940 ( 0.539 -0.033 0.324) 0.630 2.945 ( -0.231 -0.090 2.621) 2.632 3.142 ( -1.681 0.164 0.845) 1.888 3.186 ( -0.985 -1.324 -0.774) 1.823 3.387 ( 12.816 0.196 0.714) 12.837 3.389 ( 13.076 0.140 0.083) 13.077 3.519 ( -5.105 0.080 -0.735) 5.158 3.531 ( -3.777 0.009 -0.335) 3.791 3.820 ( -0.832 0.486 0.124) 0.972 3.834 ( 1.036 0.058 0.833) 1.331 4.210 ( 0.673 0.712 -0.402) 1.059 4.243 ( 1.263 -0.703 -0.655) 1.587 4.471 ( -0.311 1.938 0.583) 2.047 4.485 ( -3.955 1.360 -0.624) 4.229 4.544 ( -3.821 -0.965 -0.122) 3.943 4.563 ( 1.603 -1.864 0.095) 2.461 4.762 ( -0.792 1.135 -0.957) 1.682 4.824 ( 1.693 -1.419 1.652) 2.758 5.047 ( 5.084 1.171 -0.029) 5.217 5.139 ( 6.532 -2.543 0.237) 7.013 6.435 ( -0.594 0.261 -0.610) 0.891 6.446 ( 0.352 -0.171 0.480) 0.619 8.573 ( 3.625 0.815 0.281) 3.726 8.613 ( 4.724 -0.817 -0.796) 4.860 13.243 ( -1.692 0.909 0.926) 2.132 13.268 ( -1.590 1.233 -0.167) 2.019 13.276 ( -1.708 -0.302 0.955) 1.980 13.320 ( -1.256 -0.676 0.122) 1.432 13.496 ( -2.933 0.559 0.219) 2.994 13.530 ( -2.770 -0.695 -2.033) 3.506 13.719 ( -4.604 1.525 2.736) 5.568 13.789 ( -3.000 -0.957 -0.823) 3.255 14.025 ( -4.868 -0.124 -2.470) 5.461 14.107 ( -0.069 -3.969 1.957) 4.426 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -9.407 2.561 2.988) 10.197 0.556 ( -6.763 7.848 2.422) 10.639 0.666 ( -0.903 -5.725 2.416) 6.279 0.715 ( -0.159 1.406 -1.805) 2.294 0.822 ( -2.126 1.898 -4.112) 5.003 0.848 ( -0.675 3.670 0.309) 3.744 1.028 ( -0.570 -4.085 -2.546) 4.848 1.098 ( -10.605 -4.262 3.455) 11.940 1.146 ( -4.598 0.460 0.451) 4.643 1.238 ( -0.357 -2.460 1.037) 2.694 1.264 ( 0.861 -1.120 0.652) 1.556 1.345 ( -7.025 -0.009 0.129) 7.027 1.397 ( -10.046 0.978 0.691) 10.117 1.438 ( -2.457 1.024 -0.680) 2.748 1.508 ( -3.498 0.762 -0.461) 3.610 1.537 ( 2.075 -4.120 -0.097) 4.614 1.596 ( -0.472 1.702 0.466) 1.827 1.612 ( -6.715 1.746 1.098) 7.024 1.724 ( 3.759 -2.267 3.133) 5.393 1.741 ( -2.890 1.528 -1.457) 3.579 1.852 ( -1.014 5.489 -1.559) 5.795 1.953 ( 0.850 2.373 1.272) 2.823 1.990 ( 0.458 -0.407 0.135) 0.627 2.002 ( -0.235 -0.212 -1.717) 1.746 2.027 ( -2.546 -2.556 3.482) 5.014 2.126 ( 0.746 -3.493 0.294) 3.584 2.173 ( 1.437 3.954 -0.921) 4.307 2.295 ( 1.320 -1.088 0.066) 1.712 2.430 ( 0.148 1.498 0.311) 1.537 2.468 ( -2.381 -0.126 0.014) 2.384 2.526 ( 1.214 0.303 -0.897) 1.539 2.559 ( -1.171 -0.642 -1.541) 2.039 2.953 ( 0.884 0.150 -0.106) 0.903 2.975 ( -0.989 -0.571 2.579) 2.820 3.111 ( -2.243 -0.046 -0.145) 2.248 3.139 ( -2.508 -1.078 -1.346) 3.044 3.422 ( -4.283 -0.062 -0.433) 4.306 3.440 ( -3.149 -0.877 -0.087) 3.270 3.586 ( 9.140 1.004 0.211) 9.197 3.631 ( 11.188 -0.999 0.893) 11.268 3.814 ( 0.849 1.135 -0.227) 1.435 3.870 ( 2.319 -0.940 0.172) 2.508 4.216 ( -0.009 0.627 -0.364) 0.725 4.247 ( -0.072 -0.602 -0.638) 0.880 4.347 ( -9.238 0.412 -0.988) 9.300 4.359 ( -7.823 0.260 -2.234) 8.140 4.567 ( 2.178 0.054 0.450) 2.224 4.620 ( 2.775 -2.732 0.260) 3.903 4.763 ( 2.061 1.732 -0.587) 2.756 4.866 ( 0.921 -3.011 0.866) 3.265 5.128 ( 3.946 1.485 0.272) 4.225 5.219 ( 3.555 -2.344 -0.928) 4.358 6.418 ( -0.486 0.678 -0.503) 0.974 6.452 ( 0.001 -0.626 0.023) 0.626 8.652 ( 4.545 0.911 0.997) 4.741 8.691 ( 5.075 -0.702 -0.186) 5.127 13.213 ( -3.681 0.948 1.512) 4.091 13.213 ( -3.968 1.243 0.778) 4.231 13.275 ( -0.032 -0.222 0.097) 0.244 13.299 ( -0.496 -0.543 -1.168) 1.380 13.445 ( -3.204 0.221 0.309) 3.226 13.461 ( -2.253 -0.246 -1.792) 2.890 13.666 ( -5.358 1.354 2.544) 6.084 13.729 ( -2.371 -1.035 -1.308) 2.899 13.893 ( -6.396 0.900 -3.103) 7.165 14.074 ( -4.764 -8.212 -3.078) 9.980 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( -6.598 2.053 5.347) 8.737 0.538 ( -5.793 2.942 9.235) 11.292 0.654 ( -0.967 0.216 -0.745) 1.239 0.722 ( -0.651 -1.517 -1.678) 2.354 0.731 ( -7.612 0.507 1.462) 7.767 0.810 ( -8.035 0.422 3.124) 8.631 0.902 ( -7.658 1.670 4.350) 8.964 0.949 ( -5.397 0.332 -0.684) 5.451 1.055 ( -1.037 0.556 -1.953) 2.280 1.159 ( -5.085 0.722 -0.905) 5.215 1.261 ( -1.570 0.909 2.296) 2.926 1.288 ( -3.884 -3.490 2.241) 5.682 1.314 ( 1.073 -0.491 -0.301) 1.218 1.425 ( 0.963 0.805 -0.507) 1.354 1.491 ( -0.660 -0.189 1.580) 1.723 1.543 ( -0.930 -2.223 0.106) 2.412 1.625 ( 2.918 0.066 0.663) 2.994 1.637 ( 3.829 1.084 1.076) 4.123 1.714 ( 0.528 2.063 -0.854) 2.294 1.799 ( 0.124 -3.895 0.970) 4.016 1.831 ( -0.233 4.138 -1.051) 4.276 1.965 ( 1.068 -1.181 1.046) 1.905 1.994 ( -0.315 0.089 0.529) 0.622 2.006 ( 1.913 1.718 -1.412) 2.933 2.052 ( -1.528 -3.790 5.002) 6.458 2.150 ( 1.339 -0.902 0.974) 1.885 2.206 ( 3.305 4.048 -0.407) 5.242 2.314 ( 1.169 1.330 -0.508) 1.842 2.358 ( -4.428 0.336 -1.224) 4.606 2.426 ( -2.706 0.288 -1.071) 2.924 2.550 ( 2.791 -0.254 -1.235) 3.063 2.565 ( 1.047 -0.690 -0.831) 1.504 2.952 ( -2.694 -0.144 0.467) 2.738 2.968 ( 0.043 -0.319 -0.025) 0.323 3.072 ( -1.124 -0.029 -1.031) 1.525 3.089 ( -1.372 -0.427 -0.990) 1.744 3.360 ( -2.898 -0.114 0.133) 2.903 3.398 ( -2.830 -1.931 -0.531) 3.467 3.692 ( 3.382 1.663 -0.137) 3.771 3.767 ( 3.853 -1.797 -0.493) 4.280 3.874 ( 5.896 0.623 1.057) 6.022 3.923 ( 4.231 -1.375 -0.095) 4.450 4.130 ( -8.729 0.164 -1.171) 8.809 4.145 ( -9.696 -0.045 -2.297) 9.964 4.256 ( -0.772 0.040 0.192) 0.797 4.259 ( -1.053 0.001 0.530) 1.179 4.591 ( 0.436 -0.312 0.010) 0.536 4.622 ( -1.949 -2.154 -0.733) 2.996 4.804 ( 2.716 1.384 -0.084) 3.049 4.876 ( 0.538 -1.848 -0.294) 1.947 5.181 ( 1.792 1.357 0.529) 2.310 5.252 ( 1.544 -1.462 -0.108) 2.129 6.409 ( 0.029 0.760 -0.169) 0.779 6.447 ( -0.239 -0.726 -0.358) 0.844 8.735 ( 3.071 1.034 1.622) 3.624 8.784 ( 5.092 -1.109 1.322) 5.377 13.158 ( -3.029 1.007 0.703) 3.268 13.176 ( -3.217 0.555 1.978) 3.817 13.273 ( 0.079 -0.263 -0.979) 1.017 13.282 ( 0.251 -0.104 -0.440) 0.517 13.404 ( -1.624 0.419 -0.249) 1.696 13.415 ( -0.326 0.057 -2.116) 2.141 13.610 ( -4.528 1.207 2.183) 5.170 13.682 ( -1.230 -1.693 -1.761) 2.735 13.757 ( -4.489 0.380 -2.989) 5.406 13.840 ( -13.494 -4.559 -6.646) 15.718 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.133 -8.572 1.740) 8.748 0.457 ( 0.133 8.572 1.740) 8.748 0.590 ( 2.098 -4.023 1.386) 4.744 0.590 ( 2.098 4.023 1.386) 4.744 0.738 ( -1.024 -6.277 -1.188) 6.470 0.738 ( -1.024 6.277 -1.188) 6.470 0.960 ( -2.138 -2.597 3.230) 4.664 0.960 ( -2.138 2.597 3.230) 4.664 1.101 ( 2.096 -3.584 -0.823) 4.233 1.101 ( 2.096 3.584 -0.823) 4.233 1.250 ( 0.142 -0.915 1.391) 1.671 1.250 ( 0.142 0.915 1.391) 1.671 1.376 ( -0.625 -4.057 2.902) 5.027 1.376 ( -0.625 4.057 2.902) 5.027 1.523 ( -0.310 -2.674 2.632) 3.765 1.523 ( -0.310 2.674 2.632) 3.765 1.715 ( -0.252 -2.592 0.949) 2.772 1.715 ( -0.252 2.592 0.949) 2.772 1.748 ( 3.916 -1.171 -2.039) 4.567 1.748 ( 3.916 1.171 -2.039) 4.567 1.885 ( -1.055 -4.894 -0.249) 5.013 1.885 ( -1.055 4.894 -0.249) 5.013 1.991 ( -0.414 -1.079 -0.053) 1.156 1.991 ( -0.414 1.079 -0.053) 1.156 2.161 ( 2.554 -3.198 1.977) 4.545 2.161 ( 2.554 3.198 1.977) 4.545 2.256 ( -1.647 -1.688 0.136) 2.362 2.256 ( -1.647 1.688 0.136) 2.362 2.357 ( -1.210 -1.381 -2.536) 3.131 2.357 ( -1.210 1.381 -2.536) 3.131 2.562 ( 0.805 -0.763 -1.074) 1.544 2.562 ( 0.805 0.763 -1.074) 1.544 2.945 ( -0.487 -1.125 -0.051) 1.227 2.945 ( -0.487 1.125 -0.051) 1.227 3.063 ( 0.434 -0.509 -1.052) 1.247 3.063 ( 0.434 0.509 -1.052) 1.247 3.324 ( -1.403 -0.671 0.389) 1.603 3.324 ( -1.403 0.671 0.389) 1.603 3.746 ( -0.842 -1.188 -0.237) 1.475 3.746 ( -0.842 1.188 -0.237) 1.475 3.984 ( -3.785 -0.636 1.211) 4.024 3.984 ( -3.785 0.636 1.211) 4.024 4.031 ( 5.136 -0.155 -0.138) 5.140 4.031 ( 5.136 0.155 -0.138) 5.140 4.260 ( 0.457 -0.188 0.416) 0.646 4.260 ( 0.457 0.188 0.416) 0.646 4.589 ( -0.812 -0.660 0.463) 1.144 4.589 ( -0.812 0.660 0.463) 1.144 4.856 ( 0.329 -0.979 -0.269) 1.067 4.856 ( 0.329 0.979 -0.269) 1.067 5.230 ( -0.064 -1.573 -0.014) 1.575 5.230 ( -0.064 1.573 -0.014) 1.575 6.426 ( 0.165 -0.573 -0.249) 0.646 6.426 ( 0.165 0.573 -0.249) 0.646 8.814 ( 0.403 -1.936 1.237) 2.332 8.814 ( 0.403 1.936 1.237) 2.332 13.155 ( -0.604 -0.743 0.831) 1.268 13.155 ( -0.604 0.743 0.831) 1.268 13.276 ( 0.479 -0.726 0.082) 0.874 13.276 ( 0.479 0.726 0.082) 0.874 13.395 ( 1.173 -0.603 -2.576) 2.894 13.395 ( 1.173 0.603 -2.576) 2.894 13.577 ( -3.930 -0.598 1.016) 4.103 13.577 ( -3.930 0.598 1.016) 4.103 13.699 ( 1.957 -0.981 -2.281) 3.162 13.699 ( 1.957 0.981 -2.281) 3.162 ======================= Grid point 110 (62/96) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -1.777 -5.310 0.803) 5.657 0.501 ( -1.777 5.310 0.803) 5.657 0.705 ( 7.141 -5.189 -3.124) 9.364 0.705 ( 7.141 5.189 -3.124) 9.364 0.764 ( 6.415 -2.543 3.341) 7.666 0.764 ( 6.415 2.543 3.341) 7.666 0.977 ( 3.502 -3.246 0.626) 4.816 0.977 ( 3.502 3.246 0.626) 4.816 1.155 ( 5.717 -4.691 -0.362) 7.404 1.155 ( 5.717 4.691 -0.362) 7.404 1.283 ( 1.709 -2.916 0.830) 3.480 1.283 ( 1.709 2.916 0.830) 3.480 1.394 ( -1.635 -2.847 1.990) 3.839 1.394 ( -1.635 2.847 1.990) 3.839 1.550 ( 0.374 -3.522 1.892) 4.015 1.550 ( 0.374 3.522 1.892) 4.015 1.718 ( -0.458 -1.870 -0.022) 1.925 1.718 ( -0.458 1.870 -0.022) 1.925 1.756 ( 0.429 -2.181 -1.314) 2.583 1.756 ( 0.429 2.181 -1.314) 2.583 1.895 ( 1.442 -3.368 0.767) 3.743 1.895 ( 1.442 3.368 0.767) 3.743 1.971 ( -0.677 -1.078 -1.175) 1.732 1.971 ( -0.677 1.078 -1.175) 1.732 2.207 ( 0.542 -0.820 1.002) 1.404 2.207 ( 0.542 0.820 1.002) 1.404 2.258 ( -0.146 -1.594 0.354) 1.640 2.258 ( -0.146 1.594 0.354) 1.640 2.332 ( 2.584 -1.087 -0.372) 2.828 2.332 ( 2.584 1.087 -0.372) 2.828 2.545 ( -1.217 -1.669 -1.047) 2.315 2.545 ( -1.217 1.669 -1.047) 2.315 2.942 ( -0.210 -1.050 0.403) 1.144 2.942 ( -0.210 1.050 0.403) 1.144 3.059 ( 0.704 -1.054 -0.903) 1.556 3.059 ( 0.704 1.054 -0.903) 1.556 3.348 ( 3.133 -0.738 0.326) 3.235 3.348 ( 3.133 0.738 0.326) 3.235 3.703 ( -4.428 -0.574 0.357) 4.480 3.703 ( -4.428 0.574 0.357) 4.480 3.902 ( -5.160 -0.579 0.661) 5.234 3.902 ( -5.160 0.579 0.661) 5.234 4.160 ( 7.900 -0.259 -1.091) 7.979 4.160 ( 7.900 0.259 -1.091) 7.979 4.277 ( 1.387 -0.722 -0.112) 1.568 4.277 ( 1.387 0.722 -0.112) 1.568 4.577 ( -1.411 -0.640 0.555) 1.646 4.577 ( -1.411 0.640 0.555) 1.646 4.842 ( -1.440 -0.240 -0.225) 1.477 4.842 ( -1.440 0.240 -0.225) 1.477 5.214 ( -1.799 -0.722 -0.020) 1.939 5.214 ( -1.799 0.722 -0.020) 1.939 6.427 ( 0.262 -0.283 -0.266) 0.468 6.427 ( 0.262 0.283 -0.266) 0.468 8.796 ( -3.686 -1.671 0.531) 4.081 8.796 ( -3.686 1.671 0.531) 4.081 13.178 ( 2.082 -0.558 0.595) 2.236 13.178 ( 2.082 0.558 0.595) 2.236 13.284 ( -0.028 -0.587 0.188) 0.617 13.284 ( -0.028 0.587 0.188) 0.617 13.396 ( 2.604 -1.236 -1.939) 3.474 13.396 ( 2.604 1.236 -1.939) 3.474 13.575 ( 1.654 -0.806 1.711) 2.512 13.575 ( 1.654 0.806 1.711) 2.512 13.749 ( 6.521 -1.790 -2.221) 7.118 13.749 ( 6.521 1.790 -2.221) 7.118 ======================= Grid point 112 (63/96) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -2.130 -3.432 0.394) 4.058 0.458 ( -2.130 3.432 0.394) 4.058 0.723 ( -0.256 -1.768 -0.729) 1.930 0.723 ( -0.256 1.768 -0.729) 1.930 0.879 ( 3.001 -3.659 1.344) 4.919 0.879 ( 3.001 3.659 1.344) 4.919 1.128 ( 9.350 -3.324 0.643) 9.944 1.128 ( 9.350 3.324 0.643) 9.944 1.209 ( 2.333 -3.487 -3.814) 5.670 1.209 ( 2.333 3.487 -3.814) 5.670 1.357 ( -1.425 -4.275 3.077) 5.456 1.357 ( -1.425 4.275 3.077) 5.456 1.414 ( 8.902 -1.538 -0.937) 9.083 1.414 ( 8.902 1.538 -0.937) 9.083 1.575 ( 0.533 -4.912 0.023) 4.941 1.575 ( 0.533 4.912 0.023) 4.941 1.666 ( -0.213 -1.234 -2.548) 2.839 1.666 ( -0.213 1.234 -2.548) 2.839 1.793 ( 2.783 -1.725 0.769) 3.363 1.793 ( 2.783 1.725 0.769) 3.363 1.922 ( 1.049 -2.146 -0.526) 2.446 1.922 ( 1.049 2.146 -0.526) 2.446 1.964 ( 0.657 -2.952 1.185) 3.248 1.964 ( 0.657 2.952 1.185) 3.248 2.209 ( -3.619 -3.163 1.429) 5.014 2.209 ( -3.619 3.163 1.429) 5.014 2.240 ( 2.136 -1.120 -2.412) 3.411 2.240 ( 2.136 1.120 -2.412) 3.411 2.418 ( 4.472 -0.868 0.542) 4.587 2.418 ( 4.472 0.868 0.542) 4.587 2.518 ( 0.251 -1.654 -0.183) 1.683 2.518 ( 0.251 1.654 -0.183) 1.683 2.947 ( -0.308 -1.748 1.121) 2.099 2.947 ( -0.308 1.748 1.121) 2.099 3.072 ( 1.755 -1.464 -0.212) 2.295 3.072 ( 1.755 1.464 -0.212) 2.295 3.412 ( 3.712 -0.327 -0.222) 3.733 3.412 ( 3.712 0.327 -0.222) 3.733 3.602 ( -8.444 -1.493 0.711) 8.605 3.602 ( -8.444 1.493 0.711) 8.605 3.839 ( -2.655 -0.400 0.311) 2.703 3.839 ( -2.655 0.400 0.311) 2.703 4.230 ( 1.747 -0.340 -1.092) 2.088 4.230 ( 1.747 0.340 -1.092) 2.088 4.332 ( 6.448 -0.842 -0.903) 6.565 4.332 ( 6.448 0.842 -0.903) 6.565 4.552 ( -2.567 -0.318 0.741) 2.691 4.552 ( -2.567 0.318 0.741) 2.691 4.812 ( -1.552 -1.617 -0.142) 2.246 4.812 ( -1.552 1.617 -0.142) 2.246 5.169 ( -3.887 -0.443 0.271) 3.922 5.169 ( -3.887 0.443 0.271) 3.922 6.428 ( 0.222 -1.093 -0.194) 1.132 6.428 ( 0.222 1.093 -0.194) 1.132 8.716 ( -5.639 -1.039 -0.105) 5.735 8.716 ( -5.639 1.039 -0.105) 5.735 13.228 ( 2.695 -0.330 0.545) 2.769 13.228 ( 2.695 0.330 0.545) 2.769 13.279 ( -0.714 -0.440 0.343) 0.906 13.279 ( -0.714 0.440 0.343) 0.906 13.439 ( 4.454 -1.789 -0.985) 4.900 13.439 ( 4.454 1.789 -0.985) 4.900 13.654 ( 4.298 -0.332 1.947) 4.730 13.654 ( 4.298 0.332 1.947) 4.730 13.849 ( 7.975 -2.445 -1.766) 8.526 13.849 ( 7.975 2.445 -1.766) 8.526 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.33 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 0.275 -2.555 3.539) 4.374 0.467 ( 0.275 2.555 3.539) 4.374 0.705 ( 0.153 -1.339 -1.018) 1.689 0.705 ( 0.153 1.339 -1.018) 1.689 0.935 ( 2.982 -3.045 -0.637) 4.310 0.935 ( 2.982 3.045 -0.637) 4.310 1.146 ( -1.078 -6.132 -2.664) 6.772 1.146 ( -1.078 6.132 -2.664) 6.772 1.289 ( 4.922 -2.200 1.196) 5.522 1.289 ( 4.922 2.200 1.196) 5.522 1.355 ( 0.607 -5.438 0.602) 5.505 1.355 ( 0.607 5.438 0.602) 5.505 1.463 ( -0.143 -2.567 -3.829) 4.612 1.463 ( -0.143 2.567 -3.829) 4.612 1.541 ( -1.866 -3.682 -1.376) 4.351 1.541 ( -1.866 3.682 -1.376) 4.351 1.714 ( 3.035 -1.112 -0.907) 3.357 1.714 ( 3.035 1.112 -0.907) 3.357 1.878 ( 6.147 -2.849 -0.570) 6.799 1.878 ( 6.147 2.849 -0.570) 6.799 1.935 ( 2.532 -1.384 -0.200) 2.893 1.935 ( 2.532 1.384 -0.200) 2.893 2.002 ( 0.503 -1.205 1.879) 2.288 2.002 ( 0.503 1.205 1.879) 2.288 2.133 ( -4.828 -1.100 -0.610) 4.989 2.133 ( -4.828 1.100 -0.610) 4.989 2.288 ( 6.119 -2.736 -1.786) 6.937 2.288 ( 6.119 2.736 -1.786) 6.937 2.454 ( 2.405 -2.602 -0.378) 3.563 2.454 ( 2.405 2.602 -0.378) 3.563 2.573 ( 4.180 -0.951 0.411) 4.306 2.573 ( 4.180 0.951 0.411) 4.306 2.951 ( -0.893 -2.575 0.844) 2.854 2.951 ( -0.893 2.575 0.844) 2.854 3.111 ( 2.174 -1.324 0.917) 2.705 3.111 ( 2.174 1.324 0.917) 2.705 3.388 ( -10.548 -0.803 -0.071) 10.579 3.388 ( -10.548 0.803 -0.071) 10.579 3.508 ( 1.293 -1.643 -0.112) 2.094 3.508 ( 1.293 1.643 -0.112) 2.094 3.827 ( 0.493 -0.607 0.374) 0.866 3.827 ( 0.493 0.607 0.374) 0.866 4.226 ( -0.426 -0.384 -0.426) 0.715 4.226 ( -0.426 0.384 -0.426) 0.715 4.445 ( 6.607 -0.541 0.078) 6.629 4.445 ( 6.607 0.541 0.078) 6.629 4.511 ( -2.764 -0.312 0.703) 2.869 4.511 ( -2.764 0.312 0.703) 2.869 4.793 ( -0.483 -2.375 -0.029) 2.424 4.793 ( -0.483 2.375 -0.029) 2.424 5.091 ( -5.483 -1.404 0.249) 5.665 5.091 ( -5.483 1.404 0.249) 5.665 6.430 ( 0.204 -1.484 0.029) 1.498 6.430 ( 0.204 1.484 0.029) 1.498 8.621 ( -4.762 -0.644 -0.499) 4.831 8.621 ( -4.762 0.644 -0.499) 4.831 13.257 ( -0.042 -0.423 0.177) 0.460 13.257 ( -0.042 0.423 0.177) 0.460 13.290 ( 1.129 -0.153 1.262) 1.700 13.290 ( 1.129 0.153 1.262) 1.700 13.508 ( 4.444 -2.067 -0.655) 4.945 13.508 ( 4.444 2.067 -0.655) 4.945 13.743 ( 3.401 -1.340 1.301) 3.881 13.743 ( 3.401 1.340 1.301) 3.881 13.962 ( 6.586 -3.250 -0.467) 7.360 13.962 ( 6.586 3.250 -0.467) 7.360 ======================= Grid point 116 (65/96) ======================= q-point: ( 0.44 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.407 -2.602 6.077) 6.623 0.537 ( 0.407 2.602 6.077) 6.623 0.718 ( 2.877 -0.960 -1.183) 3.255 0.718 ( 2.877 0.960 -1.183) 3.255 0.953 ( 0.831 -2.337 -1.573) 2.937 0.953 ( 0.831 2.337 -1.573) 2.937 1.109 ( -1.062 -2.248 -0.768) 2.602 1.109 ( -1.062 2.248 -0.768) 2.602 1.314 ( -1.286 -2.838 -2.308) 3.877 1.314 ( -1.286 2.838 -2.308) 3.877 1.350 ( -0.597 -5.735 -1.538) 5.968 1.350 ( -0.597 5.735 -1.538) 5.968 1.463 ( 2.685 -1.496 -0.847) 3.188 1.463 ( 2.685 1.496 -0.847) 3.188 1.496 ( 0.237 -3.717 -0.992) 3.855 1.496 ( 0.237 3.717 -0.992) 3.855 1.705 ( -0.288 -2.662 -3.233) 4.198 1.705 ( -0.288 2.662 -3.233) 4.198 1.913 ( 0.890 -2.889 -0.409) 3.051 1.913 ( 0.890 2.889 -0.409) 3.051 1.986 ( 1.197 -1.115 -0.931) 1.882 1.986 ( 1.197 1.115 -0.931) 1.882 2.023 ( 0.065 -2.175 1.105) 2.440 2.023 ( 0.065 2.175 1.105) 2.440 2.060 ( -2.241 -1.276 -0.096) 2.581 2.060 ( -2.241 1.276 -0.096) 2.581 2.336 ( 0.916 -1.466 -0.814) 1.911 2.336 ( 0.916 1.466 -0.814) 1.911 2.563 ( 8.279 -0.479 -0.720) 8.324 2.563 ( 8.279 0.479 -0.720) 8.324 2.632 ( 2.136 -0.642 0.357) 2.259 2.632 ( 2.136 0.642 0.357) 2.259 2.940 ( -1.350 -2.092 1.060) 2.706 2.940 ( -1.350 2.092 1.060) 2.706 3.144 ( -2.335 -1.647 -0.466) 2.895 3.144 ( -2.335 1.647 -0.466) 2.895 3.188 ( -6.181 -1.627 0.050) 6.392 3.188 ( -6.181 1.627 0.050) 6.392 3.555 ( 2.289 -1.604 0.999) 2.968 3.555 ( 2.289 1.604 0.999) 2.968 3.843 ( 0.361 -0.176 0.051) 0.405 3.843 ( 0.361 0.176 0.051) 0.405 4.216 ( -0.081 -0.256 -0.300) 0.403 4.216 ( -0.081 0.256 -0.300) 0.403 4.458 ( -2.177 -0.715 0.973) 2.489 4.458 ( -2.177 0.715 0.973) 2.489 4.569 ( 4.838 -0.654 0.663) 4.927 4.569 ( 4.838 0.654 0.663) 4.927 4.793 ( 0.176 -1.466 0.277) 1.502 4.793 ( 0.176 1.466 0.277) 1.502 5.006 ( -4.018 -1.633 -0.111) 4.338 5.006 ( -4.018 1.633 -0.111) 4.338 6.435 ( 0.194 -1.274 0.212) 1.305 6.435 ( 0.194 1.274 0.212) 1.305 8.557 ( -1.896 -0.590 -0.608) 2.077 8.557 ( -1.896 0.590 -0.608) 2.077 13.257 ( -0.221 -0.660 0.490) 0.852 13.257 ( -0.221 0.660 0.490) 0.852 13.319 ( 0.126 -0.355 1.243) 1.299 13.319 ( 0.126 0.355 1.243) 1.299 13.558 ( 2.273 -2.074 -0.830) 3.187 13.558 ( 2.273 2.074 -0.830) 3.187 13.792 ( 0.753 -2.468 1.006) 2.769 13.792 ( 0.753 2.468 1.006) 2.769 14.045 ( 3.272 -3.364 0.172) 4.696 14.045 ( 3.272 3.364 0.172) 4.696 ======================= Grid point 118 (66/96) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -1.972 -2.412 6.579) 7.280 0.608 ( -1.972 2.412 6.579) 7.280 0.752 ( 2.212 -1.327 -1.347) 2.911 0.752 ( 2.212 1.327 -1.347) 2.911 0.945 ( 1.208 -3.947 -2.020) 4.596 0.945 ( 1.208 3.947 -2.020) 4.596 1.062 ( -3.535 -2.467 -1.111) 4.451 1.062 ( -3.535 2.467 -1.111) 4.451 1.241 ( -1.006 -2.006 -3.010) 3.754 1.241 ( -1.006 2.006 -3.010) 3.754 1.319 ( -2.567 -0.901 -0.847) 2.849 1.319 ( -2.567 0.901 -0.847) 2.849 1.472 ( 2.534 -2.782 -0.142) 3.766 1.472 ( 2.534 2.782 -0.142) 3.766 1.541 ( 2.110 -4.686 0.179) 5.142 1.541 ( 2.110 4.686 0.179) 5.142 1.639 ( -1.742 -3.650 -4.319) 5.917 1.639 ( -1.742 3.650 -4.319) 5.917 1.923 ( 0.284 -1.447 0.221) 1.491 1.923 ( 0.284 1.447 0.221) 1.491 1.967 ( -0.437 -1.279 -1.796) 2.248 1.967 ( -0.437 1.279 -1.796) 2.248 2.019 ( -0.550 -2.383 0.698) 2.543 2.019 ( -0.550 2.383 0.698) 2.543 2.065 ( 0.183 -0.770 0.851) 1.162 2.065 ( 0.183 0.770 0.851) 1.162 2.331 ( -0.244 -2.421 -0.960) 2.615 2.331 ( -0.244 2.421 -0.960) 2.615 2.537 ( -10.877 -1.845 0.079) 11.033 2.537 ( -10.877 1.845 0.079) 11.033 2.642 ( -1.099 -1.788 -0.154) 2.104 2.642 ( -1.099 1.788 -0.154) 2.104 2.934 ( -0.850 -0.388 0.674) 1.152 2.934 ( -0.850 0.388 0.674) 1.152 3.132 ( 5.275 -1.683 0.551) 5.565 3.132 ( 5.275 1.683 0.551) 5.565 3.208 ( 4.909 -0.686 -0.363) 4.970 3.208 ( 4.909 0.686 -0.363) 4.970 3.582 ( -1.227 -0.777 0.783) 1.650 3.582 ( -1.227 0.777 0.783) 1.650 3.833 ( -1.021 -0.122 0.083) 1.032 3.833 ( -1.021 0.122 0.083) 1.032 4.218 ( 0.699 -0.440 -0.391) 0.913 4.218 ( 0.699 0.440 -0.391) 0.913 4.463 ( 1.590 -1.263 0.774) 2.173 4.463 ( 1.590 1.263 0.774) 2.173 4.602 ( -2.104 -0.304 0.184) 2.133 4.602 ( -2.104 0.304 0.184) 2.133 4.796 ( -0.744 -0.367 0.435) 0.936 4.796 ( -0.744 0.367 0.435) 0.936 4.993 ( 3.338 -0.865 0.017) 3.449 4.993 ( 3.338 0.865 0.017) 3.449 6.440 ( 0.087 -0.563 0.163) 0.593 6.440 ( 0.087 0.563 0.163) 0.593 8.547 ( 1.580 -0.842 -0.510) 1.861 8.547 ( 1.580 0.842 -0.510) 1.861 13.262 ( 0.002 -0.580 0.475) 0.749 13.262 ( 0.002 0.580 0.475) 0.749 13.321 ( -1.503 -0.750 1.066) 1.989 13.321 ( -1.503 0.750 1.066) 1.989 13.558 ( -0.793 -1.660 -1.127) 2.157 13.558 ( -0.793 1.660 -1.127) 2.157 13.795 ( -2.047 -2.569 1.277) 3.524 13.795 ( -2.047 2.569 1.277) 3.524 14.072 ( -0.191 -1.523 0.058) 1.536 14.072 ( -0.191 1.523 0.058) 1.536 ======================= Grid point 120 (67/96) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -6.176 -2.945 2.680) 7.348 0.599 ( -6.176 2.945 2.680) 7.348 0.745 ( -0.255 -1.913 -1.941) 2.738 0.745 ( -0.255 1.913 -1.941) 2.738 0.921 ( -1.065 -5.710 -2.606) 6.366 0.921 ( -1.065 5.710 -2.606) 6.366 1.014 ( -0.847 -4.999 0.320) 5.080 1.014 ( -0.847 4.999 0.320) 5.080 1.213 ( -1.362 -1.935 0.214) 2.376 1.213 ( -1.362 1.935 0.214) 2.376 1.278 ( -1.281 -4.349 1.119) 4.670 1.278 ( -1.281 4.349 1.119) 4.670 1.513 ( 1.011 -4.714 -0.697) 4.872 1.513 ( 1.011 4.714 -0.697) 4.872 1.538 ( -2.070 -3.261 -3.360) 5.120 1.538 ( -2.070 3.261 -3.360) 5.120 1.590 ( 2.268 -3.214 0.459) 3.960 1.590 ( 2.268 3.214 0.459) 3.960 1.882 ( -7.081 -1.458 -0.236) 7.233 1.882 ( -7.081 1.458 -0.236) 7.233 1.958 ( 0.587 -1.029 -0.629) 1.341 1.958 ( 0.587 1.029 -0.629) 1.341 2.023 ( -0.836 -3.839 1.006) 4.056 2.023 ( -0.836 3.839 1.006) 4.056 2.038 ( -4.742 -2.745 0.947) 5.561 2.038 ( -4.742 2.745 0.947) 5.561 2.255 ( -4.064 -3.072 -1.363) 5.274 2.255 ( -4.064 3.072 -1.363) 5.274 2.428 ( 0.746 -2.492 0.103) 2.603 2.428 ( 0.746 2.492 0.103) 2.603 2.600 ( -3.410 -1.466 -0.270) 3.722 2.600 ( -3.410 1.466 -0.270) 3.722 2.942 ( 0.283 -0.190 1.306) 1.350 2.942 ( 0.283 0.190 1.306) 1.350 3.157 ( -1.408 -1.317 0.004) 1.928 3.157 ( -1.408 1.317 0.004) 1.928 3.390 ( 12.639 -0.097 0.343) 12.644 3.390 ( 12.639 0.097 0.343) 12.644 3.526 ( -4.557 -0.435 -0.444) 4.600 3.526 ( -4.557 0.435 -0.444) 4.600 3.830 ( 0.188 -0.450 0.446) 0.661 3.830 ( 0.188 0.450 0.446) 0.661 4.227 ( 0.927 -0.866 -0.501) 1.364 4.227 ( 0.927 0.866 -0.501) 1.364 4.514 ( -6.687 -0.416 -0.932) 6.764 4.514 ( -6.687 0.416 -0.932) 6.764 4.521 ( 3.103 -0.438 0.704) 3.212 4.521 ( 3.103 0.438 0.704) 3.212 4.791 ( 0.096 -1.658 0.258) 1.681 4.791 ( 0.096 1.658 0.258) 1.681 5.084 ( 5.827 -2.510 0.226) 6.348 5.084 ( 5.827 2.510 0.226) 6.348 6.441 ( -0.125 -0.312 -0.068) 0.343 6.441 ( -0.125 0.312 -0.068) 0.343 8.593 ( 4.167 -1.116 -0.225) 4.320 8.593 ( 4.167 1.116 -0.225) 4.320 13.263 ( -1.149 -0.880 0.724) 1.618 13.263 ( -1.149 0.880 0.724) 1.618 13.298 ( -1.929 -1.479 0.328) 2.453 13.298 ( -1.929 1.479 0.328) 2.453 13.512 ( -2.759 -0.974 -1.040) 3.105 13.512 ( -2.759 0.974 -1.040) 3.105 13.758 ( -3.890 -2.054 1.157) 4.549 13.758 ( -3.890 2.054 1.157) 4.549 14.041 ( -3.315 -2.052 -0.569) 3.939 14.041 ( -3.315 2.052 -0.569) 3.939 ======================= Grid point 122 (68/96) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -6.245 -6.827 1.238) 9.336 0.502 ( -6.245 6.827 1.238) 9.336 0.723 ( -0.389 -2.907 -0.147) 2.937 0.723 ( -0.389 2.907 -0.147) 2.937 0.864 ( -2.669 -4.477 -2.053) 5.602 0.864 ( -2.669 4.477 -2.053) 5.602 0.999 ( -2.709 -4.330 1.163) 5.238 0.999 ( -2.709 4.330 1.163) 5.238 1.171 ( -5.282 -2.844 1.242) 6.126 1.171 ( -5.282 2.844 1.242) 6.126 1.291 ( -0.381 -3.296 0.424) 3.345 1.291 ( -0.381 3.296 0.424) 3.345 1.449 ( -6.281 -2.099 1.330) 6.755 1.449 ( -6.281 2.099 1.330) 6.755 1.495 ( -0.922 -1.879 -1.331) 2.480 1.495 ( -0.922 1.879 -1.331) 2.480 1.638 ( -0.489 -1.887 0.054) 1.950 1.638 ( -0.489 1.887 0.054) 1.950 1.723 ( -4.397 -3.083 1.383) 5.545 1.723 ( -4.397 3.083 1.383) 5.545 1.942 ( -0.375 -2.425 -1.420) 2.835 1.942 ( -0.375 2.425 -1.420) 2.835 1.988 ( -1.969 -0.888 1.552) 2.660 1.988 ( -1.969 0.888 1.552) 2.660 2.049 ( 1.263 -3.646 0.907) 3.964 2.049 ( 1.263 3.646 0.907) 3.964 2.251 ( 2.934 -3.175 -0.704) 4.380 2.251 ( 2.934 3.175 -0.704) 4.380 2.458 ( -0.030 -0.982 -0.126) 0.990 2.458 ( -0.030 0.982 -0.126) 0.990 2.540 ( -1.260 -1.087 -0.815) 1.853 2.540 ( -1.260 1.087 -0.815) 1.853 2.961 ( -0.108 -0.669 1.012) 1.218 2.961 ( -0.108 0.669 1.012) 1.218 3.118 ( -2.317 -0.824 -0.613) 2.535 3.118 ( -2.317 0.824 -0.613) 2.535 3.425 ( -4.025 -0.470 -0.228) 4.059 3.425 ( -4.025 0.470 -0.228) 4.059 3.609 ( 9.831 -1.194 0.652) 9.925 3.609 ( 9.831 1.194 0.652) 9.925 3.843 ( 1.351 -1.608 -0.161) 2.106 3.843 ( 1.351 1.608 -0.161) 2.106 4.232 ( -0.209 -0.848 -0.307) 0.926 4.232 ( -0.209 0.848 -0.307) 0.926 4.357 ( -8.987 -0.475 -1.843) 9.186 4.357 ( -8.987 0.475 -1.843) 9.186 4.578 ( 1.868 -1.250 0.584) 2.322 4.578 ( 1.868 1.250 0.584) 2.322 4.807 ( 1.489 -2.631 0.075) 3.024 4.807 ( 1.489 2.631 0.075) 3.024 5.169 ( 3.856 -2.464 0.039) 4.576 5.169 ( 3.856 2.464 0.039) 4.576 6.435 ( -0.247 -0.947 -0.253) 1.011 6.435 ( -0.247 0.947 -0.253) 1.011 8.672 ( 4.893 -1.058 0.437) 5.025 8.672 ( 4.893 1.058 0.437) 5.025 13.229 ( -4.090 -0.218 1.393) 4.326 13.229 ( -4.090 0.218 1.393) 4.326 13.280 ( -0.090 -0.976 -0.686) 1.197 13.280 ( -0.090 0.976 -0.686) 1.197 13.453 ( -2.429 -0.507 -0.967) 2.663 13.453 ( -2.429 0.507 -0.967) 2.663 13.700 ( -4.072 -1.789 0.635) 4.493 13.700 ( -4.072 1.789 0.635) 4.493 13.940 ( -6.748 -4.364 -2.262) 8.348 13.940 ( -6.748 4.364 -2.262) 8.348 ======================= Grid point 124 (69/96) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -1.445 -8.737 2.378) 9.169 0.461 ( -1.445 8.737 2.378) 9.169 0.675 ( -10.191 -3.550 1.157) 10.853 0.675 ( -10.191 3.550 1.157) 10.853 0.777 ( -3.268 -3.902 -0.228) 5.095 0.777 ( -3.268 3.902 -0.228) 5.095 0.958 ( -2.689 -1.982 2.102) 3.947 0.958 ( -2.689 1.982 2.102) 3.947 1.095 ( -1.781 -4.602 -0.398) 4.951 1.095 ( -1.781 4.602 -0.398) 4.951 1.265 ( -2.733 -2.680 0.994) 3.954 1.265 ( -2.733 2.680 0.994) 3.954 1.378 ( -3.663 -5.331 1.834) 6.723 1.378 ( -3.663 5.331 1.834) 6.723 1.495 ( 0.232 -1.434 1.795) 2.309 1.495 ( 0.232 1.434 1.795) 2.309 1.654 ( 4.310 -1.054 -0.370) 4.452 1.654 ( 4.310 1.054 -0.370) 4.452 1.738 ( 0.252 -1.464 0.683) 1.635 1.738 ( 0.252 1.464 0.683) 1.635 1.916 ( -1.147 -3.873 -1.066) 4.177 1.916 ( -1.147 3.873 -1.066) 4.177 1.987 ( -0.616 -0.816 1.643) 1.935 1.987 ( -0.616 0.816 1.643) 1.935 2.093 ( 2.273 -3.823 1.725) 4.771 2.093 ( 2.273 3.823 1.725) 4.771 2.283 ( 0.888 -2.878 -1.117) 3.213 2.283 ( 0.888 2.878 -1.117) 3.213 2.405 ( -2.507 -2.276 -1.298) 3.626 2.405 ( -2.507 2.276 -1.298) 3.626 2.552 ( 1.887 -0.475 -0.984) 2.180 2.552 ( 1.887 0.475 -0.984) 2.180 2.957 ( -0.951 -0.568 0.203) 1.126 2.957 ( -0.951 0.568 0.203) 1.126 3.078 ( -1.072 -0.553 -0.910) 1.511 3.078 ( -1.072 0.553 -0.910) 1.511 3.368 ( -3.148 -0.977 0.098) 3.298 3.368 ( -3.148 0.977 0.098) 3.298 3.730 ( 3.681 -1.935 -0.083) 4.160 3.730 ( 3.681 1.935 -0.083) 4.160 3.894 ( 4.994 -1.361 0.566) 5.207 3.894 ( 4.994 1.361 0.566) 5.207 4.138 ( -9.097 -0.521 -1.371) 9.214 4.138 ( -9.097 0.521 -1.371) 9.214 4.258 ( -1.003 -0.126 0.287) 1.051 4.258 ( -1.003 0.126 0.287) 1.051 4.594 ( -0.283 -0.718 0.335) 0.841 4.594 ( -0.283 0.718 0.335) 0.841 4.838 ( 1.902 -1.905 -0.161) 2.697 4.838 ( 1.902 1.905 -0.161) 2.697 5.216 ( 1.659 -1.965 0.208) 2.580 5.216 ( 1.659 1.965 0.208) 2.580 6.429 ( -0.104 -1.065 -0.279) 1.106 6.429 ( -0.104 1.065 -0.279) 1.106 8.759 ( 3.790 -1.263 1.330) 4.210 8.759 ( 3.790 1.263 1.330) 4.210 13.178 ( -3.387 -0.582 1.156) 3.625 13.178 ( -3.387 0.582 1.156) 3.625 13.273 ( 0.132 -0.441 -0.407) 0.615 13.273 ( 0.132 0.441 -0.407) 0.615 13.413 ( -0.450 -0.362 -1.623) 1.723 13.413 ( -0.450 0.362 -1.623) 1.723 13.643 ( -3.713 -1.988 0.471) 4.238 13.643 ( -3.713 1.988 0.471) 4.238 13.776 ( -6.968 -1.817 -3.318) 7.929 13.776 ( -6.968 1.817 -3.318) 7.929 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 0.008 0.000 3.299) 3.299 0.490 ( -2.814 0.000 0.072) 2.815 0.711 ( -0.678 0.000 1.357) 1.517 0.752 ( 1.432 0.000 2.405) 2.799 0.765 ( 0.801 0.000 2.631) 2.750 0.861 ( -1.459 0.000 -0.513) 1.547 0.925 ( 5.662 0.000 -0.636) 5.698 0.947 ( -4.973 0.000 -1.296) 5.139 1.008 ( 0.544 0.000 6.170) 6.194 1.105 ( 2.592 0.000 -3.169) 4.094 1.261 ( -3.008 0.000 3.543) 4.648 1.329 ( 2.033 0.000 -3.058) 3.672 1.372 ( 1.459 0.000 0.974) 1.754 1.394 ( -0.872 0.000 -2.126) 2.298 1.519 ( -0.917 0.000 2.036) 2.233 1.548 ( -0.260 0.000 -0.698) 0.745 1.617 ( 1.053 0.000 1.867) 2.143 1.651 ( 1.790 0.000 -1.741) 2.497 1.771 ( 0.586 0.000 0.218) 0.625 1.774 ( -1.929 0.000 -0.054) 1.930 1.850 ( 0.596 0.000 2.966) 3.025 1.923 ( 0.570 0.000 -4.272) 4.310 2.019 ( -0.449 0.000 0.452) 0.637 2.028 ( 1.717 0.000 -0.549) 1.802 2.157 ( 0.816 0.000 3.351) 3.449 2.184 ( -1.940 0.000 2.949) 3.530 2.231 ( -1.232 0.000 -1.068) 1.631 2.233 ( 1.593 0.000 -3.837) 4.154 2.340 ( 0.565 0.000 0.124) 0.578 2.344 ( -0.980 0.000 -0.574) 1.136 2.546 ( -2.911 0.000 0.605) 2.973 2.562 ( 2.417 0.000 -1.013) 2.620 2.933 ( -0.556 0.000 1.013) 1.156 2.951 ( 0.007 0.000 -0.932) 0.932 3.045 ( -0.776 0.000 0.281) 0.825 3.059 ( 1.279 0.000 -1.105) 1.691 3.330 ( -2.356 0.000 0.477) 2.404 3.338 ( 0.795 0.000 -0.336) 0.863 3.730 ( 1.533 0.000 1.223) 1.961 3.754 ( -2.151 0.000 -1.237) 2.481 4.000 ( -6.017 0.000 1.448) 6.189 4.018 ( -4.391 0.000 0.623) 4.435 4.021 ( 5.400 0.000 -0.642) 5.438 4.029 ( 6.622 0.000 -0.426) 6.636 4.267 ( -0.795 0.000 0.340) 0.865 4.270 ( 1.005 0.000 -0.009) 1.005 4.584 ( -1.406 0.000 0.545) 1.508 4.593 ( 0.431 0.000 -0.387) 0.579 4.846 ( 1.506 0.000 0.871) 1.740 4.864 ( -1.188 0.000 -1.038) 1.577 5.217 ( 0.380 0.000 1.462) 1.511 5.246 ( -0.475 0.000 -1.705) 1.770 6.419 ( 1.019 0.000 0.403) 1.096 6.428 ( -0.847 0.000 -0.580) 1.027 8.815 ( -0.862 0.000 2.329) 2.483 8.854 ( 1.337 0.000 -1.888) 2.313 13.150 ( -0.174 0.000 1.248) 1.260 13.172 ( -0.192 0.000 -0.756) 0.780 13.249 ( -0.100 0.000 1.385) 1.388 13.280 ( 0.031 0.000 -1.301) 1.301 13.372 ( -1.108 0.000 -0.228) 1.131 13.374 ( 1.655 0.000 -0.677) 1.788 13.588 ( -3.587 0.000 1.269) 3.805 13.619 ( 1.779 0.000 -2.185) 2.818 13.625 ( -2.636 0.000 2.331) 3.519 13.674 ( 3.303 0.000 -2.662) 4.242 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -1.872 0.000 5.621) 5.924 0.542 ( 5.867 0.000 -4.314) 7.282 0.758 ( -1.150 0.000 -2.650) 2.889 0.810 ( 4.608 0.000 3.984) 6.092 0.840 ( -2.004 0.000 0.574) 2.085 0.860 ( 4.080 0.000 -2.643) 4.861 0.897 ( 13.025 0.000 -0.508) 13.035 1.049 ( 7.193 0.000 0.464) 7.208 1.070 ( 2.584 0.000 -5.751) 6.305 1.077 ( 4.224 0.000 1.181) 4.386 1.269 ( -1.114 0.000 3.167) 3.358 1.337 ( 2.371 0.000 -2.599) 3.518 1.352 ( -1.188 0.000 -2.226) 2.523 1.414 ( 2.515 0.000 0.924) 2.680 1.535 ( 0.183 0.000 2.253) 2.260 1.541 ( 0.843 0.000 0.077) 0.847 1.634 ( 0.322 0.000 -3.650) 3.665 1.653 ( 1.802 0.000 -1.051) 2.086 1.769 ( -0.078 0.000 -0.389) 0.396 1.793 ( 0.820 0.000 1.662) 1.853 1.870 ( -0.311 0.000 -4.318) 4.329 1.885 ( -0.485 0.000 3.034) 3.073 2.002 ( -1.281 0.000 -0.330) 1.323 2.038 ( 0.813 0.000 -1.615) 1.808 2.145 ( -2.475 0.000 -0.471) 2.519 2.181 ( -2.414 0.000 0.488) 2.463 2.233 ( 1.967 0.000 0.833) 2.137 2.270 ( 3.910 0.000 -0.209) 3.915 2.346 ( 2.042 0.000 -0.415) 2.084 2.368 ( 2.637 0.000 1.407) 2.989 2.503 ( -3.318 0.000 1.030) 3.474 2.577 ( 0.127 0.000 -0.593) 0.607 2.937 ( -1.180 0.000 1.209) 1.689 2.957 ( 1.745 0.000 0.222) 1.759 3.045 ( 0.321 0.000 0.780) 0.843 3.073 ( 2.141 0.000 -1.116) 2.414 3.344 ( 2.316 0.000 0.908) 2.488 3.376 ( 2.871 0.000 0.789) 2.978 3.681 ( -5.102 0.000 -0.427) 5.120 3.740 ( -2.942 0.000 1.396) 3.256 3.916 ( -5.000 0.000 1.111) 5.122 3.917 ( -6.082 0.000 -0.813) 6.136 4.127 ( 6.949 0.000 -1.236) 7.058 4.138 ( 7.504 0.000 -1.610) 7.674 4.260 ( -0.053 0.000 0.155) 0.164 4.288 ( 1.608 0.000 -0.484) 1.679 4.571 ( -1.366 0.000 0.914) 1.644 4.595 ( -0.382 0.000 0.693) 0.791 4.816 ( -2.711 0.000 -1.221) 2.973 4.869 ( 0.057 0.000 0.816) 0.818 5.205 ( -2.180 0.000 -1.448) 2.617 5.231 ( -1.175 0.000 1.702) 2.068 6.408 ( -0.721 0.000 -0.502) 0.879 6.441 ( 1.004 0.000 0.291) 1.045 8.789 ( -4.762 0.000 1.375) 4.956 8.810 ( -3.177 0.000 -2.223) 3.878 13.181 ( 2.456 0.000 -1.057) 2.674 13.185 ( 2.086 0.000 1.465) 2.549 13.270 ( 0.806 0.000 -1.372) 1.591 13.270 ( -0.073 0.000 1.563) 1.565 13.363 ( 0.607 0.000 -0.095) 0.615 13.407 ( 3.092 0.000 -0.317) 3.109 13.606 ( 2.181 0.000 1.795) 2.825 13.645 ( 1.636 0.000 2.287) 2.812 13.677 ( 5.873 0.000 0.366) 5.885 13.736 ( 8.273 0.000 -2.376) 8.607 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -3.390 0.000 6.661) 7.474 0.551 ( 2.210 0.000 -2.618) 3.426 0.723 ( 3.147 0.000 -2.973) 4.329 0.784 ( 0.307 0.000 -7.471) 7.478 0.812 ( -1.405 0.000 -4.199) 4.428 0.900 ( -1.872 0.000 2.989) 3.526 0.992 ( 1.202 0.000 0.973) 1.546 1.161 ( 8.319 0.000 -1.660) 8.483 1.206 ( 1.965 0.000 0.443) 2.014 1.237 ( 2.498 0.000 2.081) 3.251 1.311 ( 0.906 0.000 -0.396) 0.988 1.339 ( 16.498 0.000 -2.640) 16.708 1.381 ( 8.162 0.000 -1.518) 8.302 1.476 ( 3.819 0.000 0.160) 3.822 1.558 ( -2.928 0.000 -2.775) 4.034 1.583 ( 1.359 0.000 2.807) 3.119 1.605 ( 5.580 0.000 -0.953) 5.661 1.670 ( 4.051 0.000 -2.268) 4.642 1.737 ( -0.619 0.000 -2.908) 2.974 1.802 ( -0.573 0.000 -4.193) 4.232 1.839 ( 1.904 0.000 1.528) 2.441 1.917 ( 0.860 0.000 1.366) 1.614 1.978 ( -0.841 0.000 -0.307) 0.895 2.021 ( -0.072 0.000 -1.679) 1.681 2.108 ( -1.781 0.000 -0.339) 1.813 2.131 ( -4.169 0.000 0.729) 4.232 2.238 ( -0.503 0.000 -2.504) 2.554 2.331 ( 3.988 0.000 -0.102) 3.990 2.407 ( 4.883 0.000 -0.231) 4.888 2.438 ( -2.262 0.000 2.250) 3.190 2.483 ( 4.278 0.000 0.277) 4.287 2.556 ( -0.768 0.000 -0.873) 1.163 2.922 ( -2.048 0.000 1.164) 2.356 3.009 ( 2.427 0.000 1.240) 2.725 3.076 ( 1.255 0.000 1.781) 2.179 3.108 ( 2.952 0.000 -0.307) 2.968 3.402 ( 3.132 0.000 0.372) 3.154 3.433 ( 2.497 0.000 1.016) 2.696 3.567 ( -8.918 0.000 0.238) 8.922 3.647 ( -9.199 0.000 0.134) 9.200 3.822 ( -2.737 0.000 -0.974) 2.905 3.867 ( -2.352 0.000 0.844) 2.499 4.197 ( 1.837 0.000 -0.412) 1.883 4.224 ( 1.944 0.000 -0.005) 1.944 4.304 ( 6.855 0.000 0.069) 6.855 4.343 ( 6.533 0.000 -0.385) 6.544 4.556 ( -1.897 0.000 0.852) 2.080 4.588 ( -2.849 0.000 1.945) 3.450 4.754 ( -2.492 0.000 -1.129) 2.736 4.877 ( -0.296 0.000 1.070) 1.110 5.136 ( -4.267 0.000 -0.985) 4.379 5.211 ( -3.458 0.000 1.182) 3.654 6.396 ( -0.226 0.000 0.027) 0.227 6.458 ( 0.674 0.000 0.039) 0.675 8.702 ( -6.205 0.000 0.232) 6.209 8.711 ( -5.042 0.000 -1.999) 5.424 13.217 ( 2.532 0.000 -0.817) 2.660 13.243 ( 2.075 0.000 1.521) 2.573 13.273 ( 1.376 0.000 -1.023) 1.714 13.280 ( 0.066 0.000 0.951) 0.953 13.399 ( 2.904 0.000 0.733) 2.995 13.469 ( 4.668 0.000 -0.446) 4.689 13.665 ( 2.940 0.000 0.597) 3.000 13.743 ( 5.116 0.000 3.740) 6.337 13.772 ( 6.128 0.000 -2.042) 6.459 13.909 ( 9.748 0.000 3.633) 10.403 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.315 0.000 5.656) 5.664 0.589 ( 3.589 0.000 0.474) 3.620 0.664 ( -0.896 0.000 -5.355) 5.430 0.778 ( 5.198 0.000 -0.306) 5.207 0.819 ( 5.184 0.000 -2.842) 5.912 0.884 ( -0.147 0.000 -1.272) 1.280 1.025 ( 0.607 0.000 1.435) 1.558 1.158 ( -3.672 0.000 0.713) 3.740 1.228 ( -1.997 0.000 0.478) 2.054 1.247 ( 2.630 0.000 -3.015) 4.000 1.359 ( 4.466 0.000 -1.507) 4.714 1.417 ( -3.291 0.000 -1.395) 3.575 1.455 ( 2.076 0.000 -3.347) 3.939 1.537 ( 1.680 0.000 2.161) 2.738 1.574 ( 3.833 0.000 0.321) 3.846 1.607 ( -1.576 0.000 -2.609) 3.048 1.633 ( -0.551 0.000 -2.744) 2.799 1.721 ( 2.617 0.000 0.387) 2.645 1.770 ( 1.730 0.000 -0.940) 1.969 1.796 ( 10.163 0.000 -1.396) 10.258 1.934 ( 1.146 0.000 -1.307) 1.739 1.944 ( 5.180 0.000 -2.884) 5.928 2.004 ( 0.196 0.000 -1.457) 1.470 2.010 ( 6.314 0.000 1.508) 6.491 2.071 ( -1.856 0.000 2.038) 2.757 2.072 ( -2.266 0.000 0.375) 2.297 2.181 ( -0.025 0.000 -3.488) 3.488 2.369 ( -2.837 0.000 0.948) 2.991 2.455 ( 7.538 0.000 0.370) 7.547 2.463 ( 3.872 0.000 -2.711) 4.726 2.566 ( 2.257 0.000 0.782) 2.389 2.577 ( 4.791 0.000 -0.288) 4.799 2.904 ( -1.496 0.000 1.017) 1.809 3.038 ( 0.037 0.000 -0.130) 0.135 3.123 ( 1.191 0.000 2.256) 2.551 3.159 ( 2.898 0.000 0.177) 2.903 3.363 ( -13.492 0.000 0.272) 13.495 3.415 ( -12.532 0.000 0.537) 12.543 3.472 ( 2.538 0.000 1.014) 2.733 3.531 ( 3.280 0.000 -0.836) 3.385 3.814 ( 1.673 0.000 -0.015) 1.673 3.848 ( -0.896 0.000 0.217) 0.922 4.200 ( -0.226 0.000 -0.176) 0.286 4.229 ( -0.753 0.000 0.287) 0.806 4.442 ( 7.376 0.000 0.604) 7.401 4.463 ( 4.909 0.000 0.011) 4.909 4.534 ( -0.034 0.000 0.925) 0.925 4.539 ( -5.210 0.000 2.007) 5.583 4.727 ( 0.867 0.000 -0.306) 0.920 4.874 ( -1.862 0.000 0.532) 1.936 5.042 ( -5.450 0.000 -0.491) 5.472 5.146 ( -5.312 0.000 0.717) 5.360 6.401 ( 0.318 0.000 0.696) 0.765 6.464 ( 0.174 0.000 -0.285) 0.334 8.605 ( -5.053 0.000 0.013) 5.053 8.609 ( -4.019 0.000 -1.598) 4.325 13.236 ( 0.416 0.000 0.306) 0.516 13.267 ( 0.229 0.000 0.005) 0.229 13.304 ( 1.759 0.000 0.696) 1.891 13.307 ( 1.905 0.000 0.231) 1.919 13.464 ( 3.155 0.000 0.998) 3.309 13.540 ( 4.493 0.000 -1.363) 4.695 13.720 ( 2.216 0.000 1.300) 2.569 13.831 ( 4.447 0.000 -2.974) 5.349 13.886 ( 5.652 0.000 4.184) 7.032 14.083 ( 4.392 0.000 3.794) 5.804 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 2.167 0.000 -1.400) 2.580 0.645 ( 1.256 0.000 0.330) 1.298 0.693 ( -1.369 0.000 8.218) 8.331 0.864 ( 1.351 0.000 -2.231) 2.608 0.874 ( 4.455 0.000 -0.330) 4.467 0.892 ( 5.040 0.000 -0.821) 5.106 1.046 ( 2.141 0.000 -1.202) 2.455 1.121 ( -3.934 0.000 -0.658) 3.988 1.188 ( -1.552 0.000 -2.075) 2.592 1.203 ( -1.123 0.000 -0.217) 1.144 1.318 ( -1.362 0.000 -0.355) 1.407 1.424 ( -1.207 0.000 -2.992) 3.227 1.462 ( 1.565 0.000 -0.516) 1.648 1.498 ( -2.284 0.000 -5.162) 5.644 1.531 ( -0.104 0.000 1.485) 1.489 1.593 ( -1.315 0.000 0.199) 1.330 1.659 ( 3.888 0.000 -0.013) 3.888 1.752 ( -0.131 0.000 -1.778) 1.782 1.806 ( 2.818 0.000 1.271) 3.092 1.880 ( 0.937 0.000 -0.902) 1.300 1.947 ( 2.087 0.000 -1.487) 2.563 1.956 ( 0.532 0.000 -0.851) 1.003 1.973 ( -4.160 0.000 1.107) 4.305 1.981 ( 0.116 0.000 -1.786) 1.789 2.058 ( -0.321 0.000 0.970) 1.022 2.089 ( -1.385 0.000 -0.900) 1.652 2.295 ( 7.902 0.000 -0.387) 7.911 2.329 ( -3.259 0.000 1.774) 3.711 2.532 ( 8.827 0.000 -2.332) 9.130 2.596 ( 2.732 0.000 -0.895) 2.875 2.621 ( 2.215 0.000 1.540) 2.698 2.645 ( 6.333 0.000 -0.611) 6.363 2.914 ( 2.497 0.000 1.306) 2.817 3.020 ( -1.935 0.000 -0.493) 1.997 3.127 ( -13.154 0.000 1.364) 13.224 3.148 ( -3.413 0.000 -0.544) 3.456 3.191 ( -6.872 0.000 0.077) 6.873 3.199 ( 1.928 0.000 -0.507) 1.994 3.541 ( 2.786 0.000 2.045) 3.456 3.594 ( 2.323 0.000 -0.112) 2.326 3.838 ( 0.424 0.000 -0.046) 0.427 3.839 ( -0.017 0.000 -0.398) 0.398 4.201 ( 0.825 0.000 -0.153) 0.839 4.214 ( -1.114 0.000 0.130) 1.121 4.456 ( -3.698 0.000 0.756) 3.775 4.458 ( -0.693 0.000 -0.917) 1.150 4.580 ( 4.802 0.000 1.507) 5.033 4.607 ( 2.989 0.000 0.981) 3.145 4.768 ( 2.362 0.000 0.541) 2.423 4.826 ( -2.899 0.000 -0.844) 3.019 4.974 ( -0.713 0.000 0.471) 0.855 5.056 ( -5.765 0.000 -0.007) 5.765 6.421 ( 0.626 0.000 0.996) 1.176 6.457 ( -0.334 0.000 -0.644) 0.725 8.542 ( -2.547 0.000 0.259) 2.560 8.549 ( -0.959 0.000 -1.138) 1.488 13.246 ( -0.001 0.000 0.840) 0.840 13.267 ( 0.029 0.000 -0.333) 0.334 13.328 ( -0.137 0.000 0.967) 0.977 13.336 ( 1.262 0.000 -0.148) 1.270 13.518 ( 1.375 0.000 1.261) 1.865 13.574 ( 2.121 0.000 -2.367) 3.178 13.768 ( 0.334 0.000 2.605) 2.626 13.846 ( 1.626 0.000 -2.831) 3.264 14.022 ( 4.550 0.000 3.796) 5.925 14.137 ( -0.527 0.000 0.112) 0.539 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -2.808 0.000 -2.166) 3.546 0.630 ( -0.652 0.000 1.519) 1.653 0.757 ( -2.436 0.000 7.545) 7.928 0.828 ( 0.381 0.000 -4.667) 4.683 0.883 ( -6.118 0.000 -1.170) 6.229 0.902 ( -2.145 0.000 -2.339) 3.173 1.035 ( 1.402 0.000 -0.887) 1.658 1.112 ( 7.086 0.000 -0.352) 7.095 1.184 ( -0.635 0.000 -0.356) 0.728 1.206 ( 1.176 0.000 -0.490) 1.274 1.341 ( -3.087 0.000 -2.408) 3.916 1.344 ( 1.392 0.000 5.066) 5.254 1.443 ( -0.792 0.000 0.616) 1.003 1.460 ( 0.800 0.000 -0.866) 1.179 1.551 ( -2.061 0.000 -0.878) 2.240 1.591 ( 2.303 0.000 1.198) 2.596 1.692 ( -2.795 0.000 -3.233) 4.273 1.714 ( 1.607 0.000 1.370) 2.112 1.840 ( -2.734 0.000 -2.158) 3.483 1.856 ( 0.774 0.000 1.675) 1.845 1.935 ( -3.089 0.000 -0.172) 3.094 1.940 ( -1.829 0.000 0.700) 1.959 1.955 ( 0.330 0.000 1.001) 1.054 1.995 ( 2.980 0.000 -1.306) 3.253 2.072 ( 0.445 0.000 -0.617) 0.761 2.079 ( 1.987 0.000 0.226) 2.000 2.291 ( -4.608 0.000 0.447) 4.630 2.355 ( 2.546 0.000 -1.151) 2.794 2.502 ( -11.700 0.000 0.741) 11.723 2.587 ( -2.946 0.000 0.018) 2.946 2.626 ( -5.666 0.000 1.357) 5.826 2.652 ( -1.943 0.000 -1.718) 2.594 2.936 ( -2.494 0.000 -0.974) 2.677 2.986 ( -1.513 0.000 2.787) 3.171 3.123 ( 11.830 0.000 1.584) 11.935 3.164 ( 11.458 0.000 -2.333) 11.693 3.180 ( -1.413 0.000 1.423) 2.006 3.212 ( 1.935 0.000 -1.405) 2.391 3.577 ( -2.719 0.000 -1.609) 3.160 3.583 ( -1.230 0.000 1.097) 1.648 3.831 ( -0.541 0.000 0.391) 0.667 3.836 ( -0.582 0.000 0.146) 0.600 4.200 ( -0.540 0.000 -0.021) 0.540 4.220 ( 1.565 0.000 -0.454) 1.630 4.437 ( 0.331 0.000 1.218) 1.262 4.466 ( 2.533 0.000 -0.404) 2.565 4.603 ( -3.408 0.000 -0.840) 3.510 4.619 ( -1.908 0.000 -0.226) 1.921 4.779 ( -2.181 0.000 -0.603) 2.263 4.806 ( 2.346 0.000 1.236) 2.652 4.985 ( -0.341 0.000 -0.648) 0.732 5.050 ( 6.721 0.000 0.677) 6.755 6.438 ( -0.647 0.000 -0.892) 1.102 6.443 ( 0.582 0.000 0.839) 1.021 8.531 ( 0.731 0.000 0.674) 0.994 8.551 ( 2.529 0.000 -0.767) 2.643 13.255 ( -0.276 0.000 0.863) 0.906 13.261 ( -0.042 0.000 -0.658) 0.659 13.323 ( -1.954 0.000 1.124) 2.254 13.342 ( -0.309 0.000 -0.347) 0.465 13.535 ( -1.386 0.000 1.566) 2.091 13.554 ( -0.875 0.000 -2.459) 2.610 13.788 ( -2.373 0.000 3.311) 4.073 13.819 ( -0.913 0.000 -2.559) 2.717 14.083 ( -3.594 0.000 -2.746) 4.523 14.123 ( 3.063 0.000 1.945) 3.628 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -5.050 0.000 2.409) 5.595 0.588 ( -5.552 0.000 0.686) 5.595 0.758 ( -0.218 0.000 -7.188) 7.191 0.771 ( -4.870 0.000 1.502) 5.097 0.798 ( -3.001 0.000 1.868) 3.535 0.813 ( -2.895 0.000 1.577) 3.296 1.056 ( 1.104 0.000 -2.027) 2.308 1.181 ( 0.689 0.000 0.294) 0.749 1.210 ( 2.083 0.000 -0.796) 2.230 1.225 ( 2.025 0.000 0.770) 2.166 1.292 ( -2.263 0.000 3.369) 4.058 1.399 ( -1.984 0.000 2.328) 3.058 1.449 ( 0.703 0.000 -2.818) 2.905 1.505 ( 1.925 0.000 5.484) 5.812 1.563 ( 1.780 0.000 3.138) 3.608 1.597 ( -3.249 0.000 -3.612) 4.858 1.601 ( -1.448 0.000 -0.396) 1.501 1.749 ( -0.616 0.000 -0.296) 0.683 1.758 ( -3.350 0.000 -0.907) 3.470 1.793 ( -11.600 0.000 -0.714) 11.622 1.875 ( -9.626 0.000 3.767) 10.337 1.900 ( -0.030 0.000 2.164) 2.164 1.980 ( 0.721 0.000 0.902) 1.154 2.029 ( 0.410 0.000 -0.399) 0.572 2.084 ( 1.690 0.000 -0.679) 1.821 2.090 ( -3.303 0.000 -0.492) 3.340 2.162 ( -0.482 0.000 -1.393) 1.474 2.366 ( -2.359 0.000 1.081) 2.595 2.410 ( -1.887 0.000 2.774) 3.355 2.468 ( -2.910 0.000 -1.150) 3.129 2.569 ( -4.375 0.000 0.600) 4.416 2.590 ( -2.789 0.000 -1.739) 3.287 2.924 ( 1.305 0.000 -1.075) 1.691 3.010 ( -0.145 0.000 2.742) 2.746 3.158 ( -2.567 0.000 0.384) 2.596 3.168 ( -0.909 0.000 -2.280) 2.455 3.373 ( 13.249 0.000 -0.730) 13.269 3.412 ( 15.247 0.000 0.978) 15.279 3.495 ( -3.729 0.000 -1.449) 4.001 3.524 ( -5.219 0.000 -0.097) 5.220 3.814 ( -1.784 0.000 -0.032) 1.784 3.846 ( 1.366 0.000 0.452) 1.438 4.199 ( 0.428 0.000 -0.045) 0.431 4.237 ( 1.160 0.000 -0.644) 1.327 4.457 ( -5.661 0.000 -0.883) 5.729 4.461 ( -2.463 0.000 0.356) 2.489 4.549 ( -2.169 0.000 -0.555) 2.239 4.571 ( 4.182 0.000 -1.291) 4.377 4.730 ( -1.374 0.000 -0.636) 1.514 4.872 ( 2.938 0.000 0.929) 3.082 5.036 ( 5.047 0.000 0.195) 5.051 5.159 ( 5.719 0.000 -0.753) 5.769 6.416 ( -0.602 0.000 -0.846) 1.038 6.457 ( 0.196 0.000 0.403) 0.448 8.581 ( 3.572 0.000 1.311) 3.805 8.608 ( 4.856 0.000 -0.389) 4.871 13.245 ( -1.152 0.000 -0.592) 1.295 13.256 ( -1.174 0.000 1.169) 1.657 13.298 ( -2.140 0.000 1.032) 2.376 13.317 ( -1.715 0.000 -0.753) 1.873 13.494 ( -2.620 0.000 -2.104) 3.360 13.511 ( -3.516 0.000 1.413) 3.790 13.760 ( -2.123 0.000 -2.452) 3.243 13.767 ( -4.954 0.000 3.564) 6.103 13.962 ( -5.514 0.000 -3.971) 6.795 14.154 ( 0.386 0.000 -2.817) 2.843 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -5.820 0.000 2.841) 6.477 0.572 ( -0.889 0.000 11.873) 11.906 0.677 ( 1.418 0.000 -7.332) 7.468 0.703 ( -4.337 0.000 -1.101) 4.475 0.752 ( -0.472 0.000 2.729) 2.770 0.879 ( 1.993 0.000 5.167) 5.538 1.029 ( -0.573 0.000 -2.330) 2.399 1.143 ( -7.270 0.000 0.077) 7.270 1.214 ( 1.163 0.000 -0.482) 1.259 1.234 ( -15.947 0.000 2.795) 16.190 1.300 ( -2.219 0.000 1.280) 2.562 1.315 ( -1.795 0.000 -0.356) 1.830 1.379 ( -11.602 0.000 -1.312) 11.676 1.465 ( -4.998 0.000 1.057) 5.108 1.507 ( 0.591 0.000 1.551) 1.660 1.598 ( -5.432 0.000 0.599) 5.465 1.608 ( -2.273 0.000 1.082) 2.517 1.665 ( -1.890 0.000 -2.134) 2.851 1.674 ( 2.756 0.000 2.887) 3.991 1.736 ( 0.488 0.000 2.522) 2.569 1.841 ( 0.309 0.000 1.523) 1.554 1.926 ( 0.890 0.000 0.576) 1.060 1.984 ( -0.463 0.000 -1.209) 1.295 1.997 ( 0.194 0.000 0.693) 0.719 2.105 ( 1.276 0.000 -0.090) 1.279 2.132 ( 3.433 0.000 2.005) 3.976 2.178 ( -0.476 0.000 2.045) 2.099 2.319 ( -3.529 0.000 1.036) 3.678 2.412 ( -1.851 0.000 -0.464) 1.908 2.468 ( -1.057 0.000 -0.738) 1.289 2.498 ( -0.526 0.000 -1.242) 1.349 2.546 ( 0.218 0.000 -0.053) 0.225 2.940 ( 1.841 0.000 -0.808) 2.010 3.017 ( -2.111 0.000 0.617) 2.200 3.110 ( -2.896 0.000 -0.332) 2.915 3.113 ( -1.949 0.000 -2.154) 2.905 3.412 ( -3.274 0.000 -0.646) 3.337 3.449 ( -2.659 0.000 -0.433) 2.694 3.571 ( 8.997 0.000 -0.193) 8.999 3.648 ( 11.234 0.000 -0.122) 11.235 3.806 ( 1.522 0.000 0.607) 1.638 3.879 ( 2.550 0.000 -0.377) 2.577 4.200 ( -0.943 0.000 -0.486) 1.061 4.235 ( -1.113 0.000 -1.027) 1.515 4.317 ( -7.753 0.000 -1.402) 7.879 4.339 ( -7.857 0.000 0.030) 7.857 4.569 ( 2.048 0.000 -0.408) 2.089 4.628 ( 3.240 0.000 -2.199) 3.916 4.739 ( 2.379 0.000 0.401) 2.413 4.899 ( 0.335 0.000 -1.184) 1.230 5.121 ( 4.074 0.000 0.625) 4.122 5.225 ( 3.408 0.000 -0.588) 3.459 6.401 ( -0.200 0.000 -0.459) 0.501 6.459 ( -0.300 0.000 -0.045) 0.303 8.673 ( 4.529 0.000 1.996) 4.949 8.700 ( 6.003 0.000 0.346) 6.012 13.206 ( -3.155 0.000 0.425) 3.184 13.242 ( -3.050 0.000 2.182) 3.751 13.273 ( -1.370 0.000 -1.675) 2.164 13.285 ( -0.388 0.000 0.308) 0.495 13.425 ( -2.338 0.000 -1.927) 3.030 13.459 ( -3.976 0.000 0.671) 4.032 13.697 ( -1.673 0.000 -2.409) 2.933 13.714 ( -6.294 0.000 3.481) 7.193 13.816 ( -5.646 0.000 -3.998) 6.918 14.031 ( -7.274 0.000 -8.697) 11.338 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -4.727 0.000 3.935) 6.151 0.622 ( -1.504 0.000 -4.588) 4.829 0.664 ( -1.294 0.000 4.297) 4.488 0.739 ( 0.446 0.000 9.784) 9.794 0.791 ( -2.790 0.000 3.453) 4.440 0.901 ( -12.921 0.000 4.799) 13.784 0.909 ( -9.408 0.000 -4.330) 10.356 0.991 ( -1.391 0.000 -1.503) 2.048 0.997 ( -3.174 0.000 4.985) 5.909 1.120 ( -4.401 0.000 -1.933) 4.807 1.272 ( -2.745 0.000 2.956) 4.035 1.327 ( 1.757 0.000 1.215) 2.136 1.342 ( 3.244 0.000 -4.266) 5.359 1.422 ( -1.816 0.000 0.594) 1.911 1.523 ( -2.933 0.000 2.393) 3.786 1.568 ( -1.643 0.000 -0.409) 1.693 1.582 ( 1.440 0.000 1.143) 1.838 1.636 ( 0.461 0.000 -0.727) 0.861 1.746 ( 1.429 0.000 1.854) 2.341 1.795 ( 1.032 0.000 3.305) 3.463 1.832 ( -1.488 0.000 -2.001) 2.494 1.942 ( 2.185 0.000 -2.545) 3.355 1.998 ( 1.948 0.000 0.245) 1.963 2.008 ( -0.195 0.000 1.368) 1.382 2.123 ( 0.123 0.000 1.342) 1.347 2.169 ( -0.526 0.000 1.565) 1.651 2.234 ( 2.662 0.000 1.314) 2.969 2.273 ( -2.784 0.000 -0.022) 2.784 2.350 ( -2.380 0.000 -1.072) 2.610 2.393 ( -3.385 0.000 -1.225) 3.600 2.529 ( 3.328 0.000 -1.472) 3.639 2.568 ( 0.399 0.000 0.245) 0.468 2.958 ( 1.068 0.000 -0.907) 1.402 2.961 ( -3.606 0.000 -0.111) 3.608 3.064 ( -1.888 0.000 -0.129) 1.893 3.066 ( -0.677 0.000 -1.374) 1.531 3.358 ( -2.159 0.000 -0.546) 2.227 3.397 ( -3.265 0.000 -1.442) 3.569 3.674 ( 4.023 0.000 0.192) 4.028 3.764 ( 3.464 0.000 -1.232) 3.676 3.895 ( 6.610 0.000 1.518) 6.783 3.931 ( 4.546 0.000 -0.540) 4.578 4.116 ( -7.153 0.000 -0.184) 7.155 4.118 ( -8.124 0.000 0.239) 8.128 4.260 ( -0.160 0.000 0.179) 0.241 4.275 ( -1.385 0.000 0.828) 1.614 4.587 ( 1.118 0.000 -0.712) 1.325 4.613 ( -1.289 0.000 -1.414) 1.914 4.797 ( 2.982 0.000 0.828) 3.095 4.884 ( -0.118 0.000 -0.840) 0.849 5.182 ( 2.015 0.000 1.013) 2.255 5.257 ( 1.387 0.000 -1.066) 1.749 6.402 ( 0.533 0.000 0.159) 0.556 6.447 ( -0.680 0.000 -0.384) 0.780 8.766 ( 2.888 0.000 2.443) 3.783 8.806 ( 5.697 0.000 -0.306) 5.705 13.162 ( -2.625 0.000 0.901) 2.775 13.203 ( -2.989 0.000 0.521) 3.034 13.247 ( -0.626 0.000 0.028) 0.627 13.288 ( 0.292 0.000 -0.128) 0.319 13.376 ( -0.594 0.000 -1.615) 1.721 13.405 ( -2.689 0.000 0.053) 2.690 13.648 ( -0.533 0.000 -2.784) 2.834 13.651 ( -5.497 0.000 2.873) 6.202 13.698 ( -2.460 0.000 -3.061) 3.928 13.755 ( -12.112 0.000 -4.590) 12.952 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 1.145 0.455 5.207) 5.351 0.506 ( -1.795 1.467 -2.155) 3.165 0.645 ( -0.907 -5.939 1.652) 6.231 0.689 ( 1.634 -5.724 -1.855) 6.235 0.728 ( 1.125 -1.469 4.960) 5.294 0.813 ( -1.450 -4.874 -4.090) 6.526 0.947 ( -0.507 2.938 2.476) 3.876 0.986 ( -0.455 3.635 -1.704) 4.040 1.046 ( -1.571 1.637 4.981) 5.473 1.114 ( 3.818 -0.143 -2.381) 4.502 1.267 ( -2.202 -0.407 1.779) 2.860 1.296 ( 1.866 -2.717 -0.991) 3.442 1.375 ( -0.019 2.186 2.876) 3.612 1.426 ( 0.746 2.080 -1.789) 2.843 1.529 ( -3.394 1.767 2.647) 4.653 1.562 ( 2.551 1.550 -0.636) 3.052 1.665 ( -0.883 3.539 1.097) 3.809 1.698 ( 3.316 2.884 -2.085) 4.864 1.732 ( 0.950 -2.549 1.161) 2.958 1.753 ( -1.559 -2.217 -1.020) 2.896 1.858 ( 0.067 0.650 2.822) 2.896 1.922 ( 0.107 -0.384 -3.631) 3.653 2.000 ( 0.664 -2.378 -0.001) 2.469 2.004 ( -0.266 -1.745 -0.481) 1.830 2.153 ( 1.174 0.670 2.582) 2.915 2.197 ( -0.478 -0.361 -1.497) 1.612 2.237 ( -0.183 2.407 1.934) 3.093 2.277 ( -0.479 2.369 -1.950) 3.105 2.317 ( 0.518 -1.591 1.476) 2.231 2.345 ( -1.247 -0.582 -1.521) 2.051 2.543 ( -1.887 -0.089 0.292) 1.911 2.556 ( 1.898 -0.506 -0.972) 2.191 2.937 ( -0.507 0.273 0.710) 0.914 2.950 ( 0.051 -0.204 -0.737) 0.766 3.044 ( -0.352 0.054 0.028) 0.357 3.054 ( 0.747 -0.359 -0.907) 1.228 3.328 ( -1.614 -0.082 0.469) 1.683 3.335 ( 0.325 -0.268 -0.250) 0.490 3.734 ( 0.988 0.324 0.796) 1.310 3.751 ( -1.582 -0.336 -0.956) 1.879 4.003 ( -5.870 0.162 1.384) 6.034 4.013 ( -5.599 -0.412 0.744) 5.663 4.023 ( 6.116 0.217 -0.554) 6.145 4.027 ( 6.772 -0.090 -0.450) 6.788 4.266 ( -0.429 -0.075 0.290) 0.523 4.269 ( 0.684 -0.156 0.004) 0.702 4.588 ( -0.958 0.366 0.511) 1.146 4.595 ( 0.139 0.155 -0.253) 0.327 4.847 ( 1.108 0.101 0.566) 1.249 4.860 ( -0.789 -0.397 -0.779) 1.178 5.220 ( 0.241 0.334 1.013) 1.093 5.241 ( -0.369 -0.503 -1.189) 1.343 6.420 ( 0.739 0.065 0.251) 0.783 6.426 ( -0.579 -0.179 -0.454) 0.757 8.819 ( -0.568 0.390 1.779) 1.908 8.846 ( 0.949 -0.732 -1.097) 1.624 13.154 ( -0.209 0.392 0.986) 1.082 13.171 ( -0.241 -0.190 -0.548) 0.628 13.262 ( 0.078 1.153 1.184) 1.654 13.286 ( -0.034 0.449 -0.790) 0.909 13.362 ( 0.171 -0.760 -0.547) 0.952 13.368 ( 0.583 -0.609 -1.072) 1.364 13.592 ( -3.461 0.370 1.348) 3.732 13.610 ( -1.358 -0.472 0.705) 1.601 13.640 ( 0.561 0.918 -0.724) 1.297 13.670 ( 3.072 -0.396 -2.501) 3.981 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -0.446 -1.570 -0.183) 1.643 0.536 ( 1.105 -0.760 -0.766) 1.545 0.711 ( 3.853 -4.261 1.719) 5.997 0.738 ( 2.040 -3.852 -1.949) 4.774 0.837 ( 6.754 -1.613 1.224) 7.051 0.848 ( 12.898 -3.709 -0.512) 13.431 0.914 ( -0.186 4.145 1.082) 4.288 1.028 ( 0.573 0.573 0.373) 0.892 1.068 ( 4.475 0.158 -1.844) 4.842 1.156 ( 6.751 2.797 -2.830) 7.836 1.273 ( 0.540 -0.905 1.777) 2.066 1.336 ( 4.382 -1.490 -0.850) 4.706 1.380 ( -2.566 0.647 1.313) 2.954 1.392 ( -0.554 3.043 -3.072) 4.359 1.519 ( -0.986 1.606 2.249) 2.934 1.597 ( 2.633 0.611 -1.696) 3.191 1.647 ( -1.620 1.517 -0.360) 2.249 1.689 ( -0.101 2.542 -2.966) 3.907 1.736 ( 0.174 -1.786 -1.004) 2.057 1.773 ( 1.429 -1.381 1.535) 2.511 1.874 ( 0.329 0.558 -1.356) 1.503 1.909 ( 0.529 1.340 1.333) 1.963 1.978 ( -1.086 -2.254 -0.696) 2.597 2.016 ( 0.626 -1.993 0.113) 2.092 2.170 ( 0.526 1.440 -1.666) 2.264 2.198 ( -1.255 0.556 0.424) 1.436 2.223 ( 0.292 1.064 -0.576) 1.245 2.281 ( 0.019 0.367 0.441) 0.574 2.341 ( 3.398 -0.134 -0.245) 3.410 2.366 ( 2.844 -0.465 2.173) 3.609 2.509 ( -2.658 0.716 0.535) 2.804 2.563 ( -0.163 -1.286 -0.549) 1.408 2.941 ( -0.583 0.350 0.991) 1.202 2.957 ( 1.390 -0.146 0.175) 1.409 3.043 ( 0.334 -0.017 0.380) 0.506 3.065 ( 1.633 -0.721 -0.501) 1.854 3.347 ( 2.454 0.301 0.742) 2.582 3.369 ( 2.829 -0.631 0.615) 2.963 3.690 ( -4.687 0.873 -0.127) 4.770 3.732 ( -3.170 -0.784 1.149) 3.461 3.913 ( -5.682 -0.173 0.345) 5.696 3.916 ( -5.559 -0.180 0.075) 5.562 4.130 ( 7.055 0.241 -1.238) 7.167 4.137 ( 7.448 -0.065 -1.521) 7.602 4.264 ( 0.339 0.384 0.005) 0.512 4.283 ( 1.494 -0.389 -0.446) 1.607 4.577 ( -1.334 0.494 0.745) 1.606 4.594 ( -0.651 -0.150 0.596) 0.895 4.822 ( -2.364 0.521 -0.917) 2.588 4.858 ( -0.395 -0.921 0.506) 1.122 5.208 ( -2.019 0.293 -0.957) 2.253 5.226 ( -1.311 -0.422 1.244) 1.856 6.412 ( -0.452 0.421 -0.379) 0.724 6.436 ( 0.769 -0.516 0.191) 0.946 8.791 ( -4.456 0.219 0.858) 4.543 8.806 ( -3.350 -0.366 -1.637) 3.747 13.184 ( 2.452 0.185 -0.616) 2.535 13.186 ( 2.150 0.080 1.233) 2.480 13.277 ( 0.495 0.615 -1.085) 1.342 13.279 ( -0.168 0.745 1.034) 1.285 13.361 ( 1.284 -0.044 -0.175) 1.296 13.397 ( 3.126 -1.036 -0.433) 3.322 13.608 ( 1.874 0.260 2.105) 2.830 13.634 ( 1.611 -0.852 2.562) 3.144 13.689 ( 5.942 1.026 -0.419) 6.044 13.730 ( 7.697 -0.652 -2.169) 8.024 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 1.542 -2.347 1.673) 3.268 0.528 ( -0.864 -2.599 2.295) 3.573 0.684 ( 0.066 -0.634 -1.943) 2.045 0.787 ( -3.987 -1.612 -3.399) 5.481 0.848 ( 4.231 0.002 -0.520) 4.263 0.910 ( 0.950 2.333 -0.732) 2.624 1.009 ( -0.979 2.417 -2.515) 3.623 1.116 ( 10.906 -1.146 0.537) 10.979 1.196 ( 9.414 -1.117 -0.871) 9.520 1.260 ( 2.431 -4.477 -1.300) 5.257 1.319 ( -3.793 3.940 1.525) 5.677 1.341 ( 6.694 -0.196 -1.914) 6.965 1.421 ( 5.358 0.293 -1.734) 5.639 1.433 ( 9.241 1.183 0.706) 9.343 1.524 ( -2.072 -0.608 0.294) 2.180 1.611 ( 4.509 -0.000 -2.047) 4.951 1.616 ( -0.686 -0.511 -2.792) 2.920 1.649 ( 2.001 -2.506 -1.190) 3.421 1.735 ( 1.685 2.890 -1.083) 3.516 1.817 ( 2.930 -1.310 0.510) 3.250 1.858 ( 0.423 3.007 -2.159) 3.725 1.933 ( -0.140 1.405 1.144) 1.817 1.966 ( 0.569 -1.233 0.377) 1.410 2.024 ( 0.469 0.040 -0.450) 0.651 2.144 ( -3.646 1.971 -0.386) 4.163 2.156 ( -1.576 3.027 -0.617) 3.468 2.210 ( 1.067 -2.223 -3.784) 4.516 2.292 ( 1.325 -3.011 0.081) 3.291 2.421 ( 3.927 0.753 0.677) 4.055 2.440 ( -0.154 0.184 1.383) 1.404 2.494 ( 3.279 0.913 0.438) 3.432 2.545 ( -0.391 -1.056 -0.439) 1.209 2.934 ( -1.501 1.142 0.926) 2.101 2.997 ( 1.712 -1.273 0.948) 2.335 3.072 ( 1.680 -0.080 1.362) 2.164 3.100 ( 2.499 -0.807 0.346) 2.648 3.405 ( 3.245 0.305 0.314) 3.275 3.426 ( 2.803 -0.610 0.738) 2.962 3.581 ( -8.883 1.310 0.347) 8.986 3.637 ( -9.145 -0.932 0.178) 9.194 3.826 ( -2.600 0.478 -0.679) 2.729 3.859 ( -2.233 -0.756 0.553) 2.422 4.205 ( 1.977 0.637 -0.286) 2.097 4.223 ( 2.108 -0.089 -0.036) 2.110 4.309 ( 6.637 0.454 -0.019) 6.652 4.336 ( 6.442 -0.618 -0.341) 6.481 4.558 ( -2.087 0.288 0.744) 2.235 4.581 ( -2.705 -0.600 1.513) 3.157 4.769 ( -2.178 1.442 -0.801) 2.732 4.855 ( -0.625 -1.986 0.619) 2.172 5.147 ( -4.115 1.020 -0.660) 4.291 5.199 ( -3.548 -1.065 0.862) 3.804 6.405 ( -0.084 0.848 0.043) 0.853 6.449 ( 0.555 -0.868 0.059) 1.032 8.704 ( -5.988 0.153 -0.087) 5.991 8.710 ( -5.187 -0.098 -1.637) 5.441 13.226 ( 2.659 0.758 -0.367) 2.789 13.243 ( 2.192 -0.005 1.383) 2.592 13.276 ( 0.818 0.315 -0.625) 1.077 13.284 ( 0.163 0.197 0.452) 0.519 13.405 ( 3.313 0.667 0.522) 3.420 13.458 ( 4.591 -1.179 -0.508) 4.767 13.671 ( 3.087 0.589 0.916) 3.274 13.719 ( 4.421 -1.562 2.119) 5.145 13.795 ( 6.874 1.738 -0.297) 7.097 13.885 ( 9.255 -2.140 2.551) 9.836 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 2.071 -1.327 5.379) 5.915 0.582 ( 2.320 -2.214 3.672) 4.875 0.672 ( -1.508 1.883 -4.375) 4.996 0.691 ( 2.562 -2.306 -0.511) 3.485 0.881 ( 1.887 0.650 -2.415) 3.133 0.951 ( 5.180 6.480 -2.225) 8.589 0.979 ( -0.071 -3.165 0.082) 3.167 1.184 ( -2.172 -0.171 0.347) 2.206 1.251 ( 1.854 1.280 -2.460) 3.336 1.270 ( -2.139 3.537 -0.446) 4.158 1.329 ( 6.471 -2.000 -1.343) 6.905 1.395 ( -3.377 -1.392 -1.382) 3.905 1.433 ( 3.890 -1.945 -2.301) 4.921 1.490 ( 1.592 -2.658 1.411) 3.404 1.507 ( -2.075 -6.031 -2.009) 6.686 1.580 ( 0.413 -1.887 -1.259) 2.306 1.646 ( -0.928 1.382 -3.008) 3.438 1.723 ( 2.434 -0.966 -0.191) 2.625 1.799 ( 4.733 4.026 -0.038) 6.213 1.856 ( 5.833 2.659 -1.798) 6.658 1.936 ( 3.569 0.953 -0.717) 3.763 1.953 ( 3.262 -1.009 0.762) 3.499 1.988 ( 0.844 0.888 -0.136) 1.233 2.042 ( 4.146 0.669 0.271) 4.208 2.076 ( -3.149 1.901 -1.251) 3.885 2.107 ( -2.697 1.738 0.574) 3.260 2.187 ( 3.330 1.193 -3.046) 4.668 2.340 ( 2.583 -3.308 -0.464) 4.223 2.428 ( 3.144 -0.476 0.050) 3.180 2.470 ( 2.806 -0.590 -1.540) 3.255 2.569 ( 3.491 0.560 0.689) 3.602 2.585 ( 4.153 0.381 0.164) 4.173 2.919 ( -1.333 1.515 0.756) 2.155 3.015 ( -0.334 -2.180 0.082) 2.207 3.122 ( 1.610 0.053 1.720) 2.357 3.150 ( 2.500 -0.845 0.538) 2.693 3.371 ( -13.068 0.802 0.272) 13.096 3.408 ( -11.966 -0.650 0.466) 11.993 3.484 ( 2.194 1.089 0.744) 2.560 3.525 ( 3.169 -0.595 -0.486) 3.261 3.819 ( 1.344 0.479 0.069) 1.429 3.845 ( -0.423 -0.408 0.245) 0.636 4.208 ( -0.350 0.684 -0.184) 0.790 4.228 ( -0.700 -0.125 0.102) 0.719 4.446 ( 7.491 0.447 0.892) 7.557 4.464 ( 6.145 -0.023 0.607) 6.175 4.524 ( -2.825 -0.497 0.910) 3.009 4.537 ( -3.185 -0.438 1.235) 3.444 4.746 ( 0.502 1.790 -0.170) 1.867 4.848 ( -1.324 -2.329 0.352) 2.702 5.057 ( -5.482 1.383 -0.446) 5.671 5.130 ( -5.385 -1.523 0.417) 5.611 6.411 ( 0.304 0.872 0.564) 1.082 6.455 ( 0.200 -0.845 -0.124) 0.877 8.607 ( -4.910 0.100 -0.231) 4.917 8.609 ( -4.181 -0.002 -1.356) 4.396 13.247 ( 0.153 0.952 0.411) 1.048 13.268 ( 0.095 0.031 0.203) 0.227 13.306 ( 1.843 0.154 0.688) 1.973 13.308 ( 1.922 0.041 0.240) 1.937 13.472 ( 3.447 0.807 0.571) 3.586 13.526 ( 4.413 -1.247 -1.223) 4.746 13.732 ( 2.527 1.118 1.225) 3.023 13.804 ( 4.033 -2.022 -0.559) 4.546 13.914 ( 5.733 2.341 2.059) 6.526 14.047 ( 4.953 -3.273 2.911) 6.612 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 1.968 1.765 0.606) 2.712 0.666 ( 0.574 0.647 4.150) 4.239 0.679 ( 0.458 1.123 4.575) 4.732 0.752 ( 4.147 -5.522 0.204) 6.909 0.878 ( 1.707 1.032 -2.178) 2.953 0.954 ( -0.244 -1.192 -2.359) 2.654 1.040 ( 5.504 2.090 -1.526) 6.082 1.135 ( -4.297 -0.690 -1.158) 4.504 1.204 ( -1.497 2.074 -1.830) 3.145 1.226 ( -1.635 1.962 -1.365) 2.896 1.314 ( 0.026 -0.414 -0.539) 0.680 1.403 ( -2.442 -1.510 -2.964) 4.127 1.439 ( 0.804 -0.941 -0.738) 1.441 1.478 ( 4.550 -2.989 1.143) 5.563 1.511 ( -3.431 -1.915 -0.243) 3.937 1.577 ( -1.071 1.102 -3.074) 3.436 1.601 ( 3.100 -4.720 0.793) 5.703 1.713 ( -0.623 -3.386 -2.863) 4.478 1.850 ( 2.186 3.439 1.090) 4.218 1.928 ( 0.888 2.398 -1.033) 2.758 1.940 ( 0.636 0.670 -0.621) 1.113 1.958 ( -0.658 -0.024 -1.158) 1.332 1.989 ( -0.273 1.737 0.588) 1.854 2.022 ( -1.221 2.274 -0.905) 2.735 2.064 ( -0.783 0.335 0.974) 1.293 2.085 ( -0.811 -0.676 -0.345) 1.111 2.301 ( 5.051 0.750 -0.365) 5.119 2.330 ( -1.533 -0.023 0.522) 1.619 2.534 ( 9.649 0.335 -1.674) 9.799 2.583 ( 6.387 -1.428 -0.184) 6.547 2.624 ( 1.441 0.447 0.611) 1.627 2.642 ( 3.784 -0.265 -0.416) 3.816 2.923 ( 1.650 0.961 0.940) 2.128 2.998 ( -1.723 -1.998 -0.273) 2.652 3.123 ( -8.764 0.044 0.608) 8.785 3.154 ( -7.491 -0.333 -1.202) 7.594 3.181 ( -1.728 0.208 1.282) 2.161 3.207 ( -2.945 0.053 -0.168) 2.950 3.553 ( 2.807 1.009 1.739) 3.453 3.590 ( 2.439 -0.463 0.242) 2.494 3.838 ( 0.382 0.100 -0.171) 0.430 3.842 ( -0.045 0.096 -0.264) 0.284 4.205 ( 0.473 0.327 -0.154) 0.595 4.214 ( -0.775 -0.017 -0.023) 0.775 4.463 ( -3.271 0.618 0.749) 3.412 4.465 ( -1.125 0.612 -0.438) 1.353 4.579 ( 4.870 0.010 1.270) 5.033 4.599 ( 3.282 -0.717 0.881) 3.473 4.779 ( 2.102 0.921 0.600) 2.372 4.817 ( -1.749 -0.758 -0.428) 1.953 4.979 ( -1.956 0.569 0.129) 2.041 5.038 ( -5.341 -1.644 -0.198) 5.592 6.426 ( 0.495 0.533 0.772) 1.061 6.452 ( -0.191 -0.458 -0.392) 0.632 8.543 ( -2.318 0.128 0.041) 2.322 8.548 ( -1.204 -0.072 -0.941) 1.530 13.254 ( -0.090 0.659 0.724) 0.983 13.268 ( -0.057 0.078 -0.095) 0.136 13.332 ( 0.028 0.290 0.883) 0.930 13.337 ( 1.079 0.073 0.066) 1.084 13.524 ( 1.550 0.575 0.674) 1.785 13.564 ( 2.097 -0.957 -1.935) 3.010 13.780 ( 0.555 1.186 2.149) 2.516 13.837 ( 1.526 -0.952 -1.593) 2.403 14.026 ( 3.818 0.610 2.676) 4.702 14.109 ( 0.382 -2.531 0.107) 2.562 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -3.737 3.239 -0.402) 4.962 0.683 ( 0.684 3.802 0.486) 3.894 0.728 ( -2.639 -1.687 4.768) 5.704 0.775 ( -0.610 -3.991 -2.646) 4.827 0.864 ( -3.052 -0.690 -3.139) 4.432 0.931 ( 3.871 -0.485 -0.925) 4.009 1.024 ( -4.981 0.751 -0.494) 5.062 1.113 ( 3.877 -1.218 0.672) 4.119 1.197 ( -0.087 1.139 0.741) 1.362 1.208 ( 0.881 0.345 -0.409) 1.031 1.322 ( -3.044 -1.600 -1.349) 3.694 1.347 ( 2.439 -0.033 2.484) 3.481 1.439 ( -2.747 -0.186 -0.273) 2.767 1.482 ( 3.038 1.689 1.504) 3.787 1.512 ( -2.728 -0.833 -2.626) 3.877 1.558 ( 2.884 -2.926 0.324) 4.121 1.644 ( -2.610 -3.949 -3.540) 5.911 1.660 ( 1.344 -4.411 2.115) 5.073 1.880 ( -2.173 3.059 -1.894) 4.203 1.900 ( 1.244 2.931 1.637) 3.580 1.931 ( -2.112 0.446 0.127) 2.162 1.953 ( 0.545 0.149 -0.254) 0.620 1.985 ( -1.135 2.037 0.874) 2.490 2.021 ( 1.584 2.233 -0.713) 2.829 2.073 ( 0.364 -0.216 0.385) 0.572 2.083 ( 1.461 0.034 -0.455) 1.530 2.295 ( -3.685 0.608 0.395) 3.756 2.344 ( 1.758 -1.050 -0.998) 2.278 2.512 ( -11.861 1.006 0.649) 11.921 2.580 ( -7.209 -1.276 0.151) 7.322 2.622 ( -2.542 0.292 0.848) 2.695 2.649 ( -1.437 -0.358 -1.250) 1.938 2.937 ( -1.720 0.179 -0.490) 1.797 2.973 ( -0.835 -1.177 2.109) 2.555 3.120 ( 8.702 0.170 0.970) 8.758 3.157 ( 9.431 -0.798 -1.300) 9.554 3.192 ( 1.778 0.796 0.583) 2.034 3.210 ( 2.800 -0.145 -0.923) 2.951 3.581 ( -2.651 0.359 -1.118) 2.899 3.586 ( -1.570 0.211 0.625) 1.702 3.833 ( -0.471 0.175 0.305) 0.588 3.837 ( -0.440 0.037 0.221) 0.493 4.204 ( -0.246 0.378 -0.072) 0.457 4.218 ( 1.156 -0.214 -0.371) 1.233 4.452 ( 0.832 1.236 0.967) 1.776 4.472 ( 2.480 0.472 -0.275) 2.539 4.599 ( -3.483 -0.318 -0.715) 3.570 4.611 ( -2.213 -0.715 -0.346) 2.351 4.788 ( -1.931 0.807 -0.378) 2.126 4.805 ( 1.173 -0.035 0.815) 1.429 4.983 ( 0.998 0.026 -0.341) 1.055 5.031 ( 5.963 -1.721 0.572) 6.233 6.440 ( -0.473 0.112 -0.642) 0.806 6.443 ( 0.404 -0.014 0.590) 0.715 8.534 ( 0.994 0.292 0.465) 1.135 8.548 ( 2.257 -0.262 -0.549) 2.338 13.261 ( -0.190 0.481 0.620) 0.808 13.266 ( 0.112 0.340 -0.389) 0.529 13.327 ( -1.895 0.426 0.989) 2.179 13.342 ( -0.580 -0.057 -0.087) 0.589 13.535 ( -1.306 0.047 0.924) 1.601 13.549 ( -0.904 -0.433 -1.965) 2.206 13.796 ( -2.181 0.784 2.598) 3.481 13.819 ( -1.123 -0.033 -1.766) 2.093 14.073 ( -2.811 -0.775 -2.186) 3.644 14.100 ( 1.760 -1.953 1.305) 2.935 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -6.588 1.866 1.825) 7.086 0.648 ( -3.537 4.590 -0.833) 5.854 0.697 ( -1.923 -4.207 -3.763) 5.963 0.707 ( -1.184 -1.497 -1.634) 2.513 0.821 ( -1.563 1.074 1.773) 2.596 0.915 ( -4.897 6.079 1.398) 7.930 0.997 ( 1.694 -4.605 -1.888) 5.257 1.185 ( 1.038 -4.656 2.106) 5.214 1.213 ( 1.213 2.322 0.190) 2.627 1.230 ( -1.758 0.949 3.086) 3.676 1.278 ( -1.755 -0.587 2.141) 2.830 1.399 ( -1.134 1.584 0.443) 1.997 1.433 ( -1.006 -3.681 -1.903) 4.264 1.449 ( 2.541 -2.717 2.142) 4.292 1.541 ( -2.559 -3.399 -3.304) 5.386 1.566 ( -0.695 0.892 1.883) 2.196 1.590 ( 2.592 -1.557 0.853) 3.142 1.705 ( 0.297 -3.465 2.214) 4.123 1.813 ( -3.965 4.238 -0.909) 5.874 1.829 ( -10.168 3.389 0.201) 10.720 1.929 ( -5.267 2.808 0.099) 5.969 1.946 ( 0.411 2.402 1.610) 2.921 1.989 ( 0.261 0.612 0.307) 0.733 2.016 ( -3.752 1.036 1.086) 4.042 2.069 ( -0.780 -1.208 0.218) 1.454 2.112 ( 1.623 -0.225 -0.107) 1.642 2.171 ( -3.587 1.982 -1.040) 4.228 2.323 ( -4.868 -3.782 1.020) 6.249 2.416 ( -0.144 0.479 1.519) 1.600 2.459 ( -1.473 -0.970 -0.442) 1.819 2.577 ( -4.180 0.787 0.076) 4.254 2.595 ( -3.053 0.274 -1.112) 3.261 2.932 ( 1.124 0.905 -0.643) 1.580 2.996 ( 0.144 -1.381 2.106) 2.523 3.148 ( -1.886 -0.486 -0.434) 1.995 3.163 ( -1.502 -0.622 -1.308) 2.086 3.379 ( 13.037 0.624 -0.504) 13.062 3.408 ( 14.112 -0.465 0.631) 14.134 3.501 ( -3.829 0.566 -1.040) 4.008 3.524 ( -4.674 -0.164 -0.295) 4.686 3.820 ( -1.305 0.571 -0.058) 1.425 3.845 ( 0.880 -0.247 0.274) 0.954 4.206 ( 0.561 0.676 -0.041) 0.879 4.232 ( 1.072 -0.442 -0.416) 1.232 4.467 ( -5.800 0.947 -1.114) 5.981 4.475 ( -4.015 1.166 -0.379) 4.198 4.538 ( -0.631 -0.956 -0.523) 1.259 4.556 ( 3.443 -1.306 -0.731) 3.754 4.749 ( -0.928 1.752 -0.465) 2.036 4.847 ( 1.884 -2.280 0.649) 3.028 5.050 ( 5.274 1.372 0.295) 5.458 5.136 ( 5.669 -2.089 -0.317) 6.050 6.423 ( -0.499 0.598 -0.678) 1.033 6.452 ( 0.073 -0.533 0.212) 0.578 8.586 ( 3.794 0.416 1.072) 3.964 8.605 ( 4.687 -0.340 -0.116) 4.701 13.257 ( -0.537 0.969 -0.413) 1.182 13.263 ( -0.833 0.639 0.635) 1.227 13.298 ( -2.673 0.047 1.132) 2.903 13.316 ( -1.991 -0.234 -0.478) 2.061 13.494 ( -2.698 0.012 -1.701) 3.190 13.505 ( -3.400 -0.515 0.862) 3.545 13.763 ( -2.611 0.303 -1.772) 3.170 13.770 ( -4.572 0.162 2.484) 5.206 13.970 ( -5.161 0.963 -3.338) 6.222 14.102 ( -1.454 -4.471 -2.247) 5.211 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -7.062 -0.693 2.569) 7.546 0.615 ( -0.585 -4.205 -2.424) 4.889 0.651 ( 0.330 3.861 2.281) 4.497 0.697 ( 1.781 2.386 1.217) 3.216 0.818 ( -3.278 1.043 2.577) 4.298 0.876 ( -1.264 2.108 2.309) 3.373 0.994 ( 0.311 -2.624 -0.745) 2.746 1.136 ( -8.109 0.057 -1.186) 8.195 1.161 ( -10.635 -3.566 2.851) 11.573 1.248 ( 1.127 -0.660 0.489) 1.394 1.306 ( -4.573 -2.180 2.318) 5.571 1.332 ( -3.004 -0.184 -0.719) 3.094 1.407 ( -2.859 3.138 -0.139) 4.247 1.432 ( -7.635 1.442 0.674) 7.799 1.507 ( -0.790 -0.300 0.822) 1.179 1.561 ( 1.582 -3.942 2.431) 4.894 1.596 ( -4.687 0.177 0.271) 4.698 1.645 ( -3.365 0.197 0.566) 3.418 1.712 ( -1.115 2.769 0.186) 2.991 1.800 ( 0.243 -1.921 3.085) 3.643 1.834 ( -1.562 5.038 -0.135) 5.276 1.949 ( 0.247 -0.034 -0.972) 1.004 1.982 ( 0.106 0.637 -0.910) 1.116 2.005 ( -0.326 1.437 1.258) 1.938 2.111 ( 1.266 -2.382 4.429) 5.186 2.138 ( -0.958 -2.519 1.617) 3.143 2.159 ( 1.854 4.079 -0.510) 4.509 2.294 ( 0.554 -2.378 -0.102) 2.444 2.429 ( -3.178 1.476 -0.299) 3.517 2.462 ( 0.689 -0.542 -0.757) 1.158 2.508 ( -1.768 0.782 -0.935) 2.148 2.542 ( -0.277 -0.470 -0.307) 0.626 2.947 ( 1.273 0.725 -0.494) 1.546 3.003 ( -1.680 -1.370 0.442) 2.212 3.098 ( -2.375 -0.374 -1.233) 2.702 3.114 ( -2.210 -0.422 -1.145) 2.525 3.413 ( -3.470 0.164 -0.497) 3.510 3.437 ( -2.941 -0.894 -0.331) 3.091 3.587 ( 9.055 1.320 -0.162) 9.152 3.638 ( 10.677 -0.949 0.021) 10.719 3.815 ( 1.498 0.918 0.397) 1.801 3.868 ( 2.137 -1.086 -0.342) 2.422 4.208 ( -1.039 0.751 -0.463) 1.363 4.233 ( -1.051 -0.216 -0.856) 1.372 4.320 ( -7.851 0.299 -1.353) 7.973 4.336 ( -7.932 -0.303 -0.350) 7.945 4.569 ( 2.057 0.140 -0.296) 2.083 4.609 ( 2.608 -1.552 -1.261) 3.286 4.759 ( 2.146 1.862 0.191) 2.847 4.867 ( 0.524 -2.757 -0.529) 2.856 5.136 ( 4.010 1.385 0.527) 4.275 5.209 ( 3.552 -1.514 -0.317) 3.874 6.409 ( -0.217 0.810 -0.404) 0.931 6.450 ( -0.291 -0.786 -0.120) 0.847 8.678 ( 4.762 0.449 1.694) 5.075 8.697 ( 5.769 -0.311 0.557) 5.804 13.221 ( -3.331 1.364 0.255) 3.609 13.249 ( -3.119 0.644 1.925) 3.722 13.271 ( -1.098 -0.292 -1.416) 1.816 13.283 ( -0.415 -0.218 0.383) 0.605 13.427 ( -2.440 0.227 -1.712) 2.989 13.450 ( -3.695 -0.749 0.277) 3.780 13.698 ( -2.311 0.139 -1.820) 2.945 13.711 ( -5.464 -0.262 2.186) 5.891 13.829 ( -6.212 1.477 -3.426) 7.246 13.974 ( -7.761 -4.762 -6.188) 11.009 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -4.557 -1.208 4.307) 6.385 0.590 ( 1.185 -3.185 -3.246) 4.699 0.663 ( -1.919 -0.259 2.088) 2.848 0.757 ( -5.776 -3.130 1.320) 6.701 0.766 ( -11.131 0.264 5.086) 12.241 0.849 ( -1.569 -2.571 0.369) 3.035 0.958 ( -4.906 3.783 0.081) 6.195 0.993 ( -5.518 1.462 3.353) 6.620 1.024 ( 0.106 0.882 1.173) 1.471 1.137 ( -5.887 0.352 -1.122) 6.003 1.296 ( -2.460 -0.867 -0.285) 2.624 1.305 ( -1.783 -0.680 2.214) 2.923 1.339 ( -1.704 -0.079 1.938) 2.582 1.406 ( 2.966 2.519 -1.282) 4.097 1.539 ( -0.940 0.276 2.472) 2.659 1.553 ( -1.131 0.758 0.870) 1.616 1.631 ( 3.069 -1.022 0.422) 3.262 1.653 ( 2.230 1.447 0.928) 2.815 1.716 ( -0.324 1.159 1.028) 1.583 1.797 ( -1.165 -2.639 -0.880) 3.016 1.835 ( -0.870 2.275 1.449) 2.834 1.961 ( 0.416 0.610 -2.870) 2.963 1.975 ( 2.220 -1.760 -0.056) 2.833 2.010 ( -0.444 0.033 0.646) 0.784 2.125 ( -2.253 -0.679 3.014) 3.824 2.190 ( 1.028 -0.707 2.550) 2.839 2.203 ( 3.082 2.098 0.034) 3.729 2.298 ( 0.346 -0.255 -1.172) 1.248 2.343 ( -4.345 1.096 -0.372) 4.496 2.401 ( -3.249 -0.036 -1.571) 3.609 2.527 ( 2.997 0.051 -1.207) 3.231 2.557 ( 0.465 -0.958 -0.017) 1.065 2.954 ( -0.851 -0.095 -0.248) 0.891 2.962 ( -1.352 -0.134 -0.434) 1.426 3.054 ( -0.934 -0.198 -0.796) 1.243 3.070 ( -1.314 -0.216 -0.898) 1.606 3.358 ( -2.398 0.080 -0.390) 2.431 3.384 ( -3.183 -1.073 -0.926) 3.485 3.689 ( 3.836 1.385 -0.091) 4.079 3.752 ( 3.494 -1.140 -0.988) 3.806 3.898 ( 6.430 0.317 1.311) 6.570 3.922 ( 4.926 -0.725 -0.087) 4.980 4.119 ( -7.701 0.156 0.187) 7.705 4.120 ( -7.783 0.206 -0.339) 7.793 4.261 ( -0.397 0.176 0.284) 0.519 4.272 ( -1.243 -0.263 0.727) 1.464 4.588 ( 0.877 0.153 -0.396) 0.974 4.607 ( -0.559 -0.554 -0.801) 1.123 4.808 ( 2.611 1.040 0.507) 2.856 4.868 ( 0.493 -1.412 -0.521) 1.584 5.193 ( 1.886 0.988 0.706) 2.243 5.245 ( 1.420 -1.119 -0.739) 1.954 6.408 ( 0.341 0.618 0.053) 0.708 6.441 ( -0.519 -0.650 -0.334) 0.896 8.771 ( 3.165 0.472 2.030) 3.789 8.798 ( 5.038 -0.653 0.190) 5.083 13.171 ( -2.824 0.838 0.681) 3.023 13.203 ( -2.952 -0.191 0.142) 2.962 13.256 ( -0.434 0.839 0.338) 1.003 13.288 ( 0.231 -0.162 0.247) 0.375 13.376 ( -0.877 0.101 -1.767) 1.976 13.397 ( -2.324 -0.678 -0.347) 2.446 13.647 ( -1.237 -0.039 -1.830) 2.209 13.651 ( -4.364 -0.064 1.711) 4.688 13.701 ( -3.696 0.381 -2.677) 4.580 13.741 ( -10.022 -1.201 -3.553) 10.701 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.970 -6.627 3.352) 7.490 0.506 ( 0.970 6.627 3.352) 7.490 0.569 ( 0.190 -4.915 -2.985) 5.754 0.569 ( 0.190 4.915 -2.985) 5.754 0.735 ( -0.762 -2.274 0.368) 2.426 0.735 ( -0.762 2.274 0.368) 2.426 1.017 ( -3.349 -3.210 2.588) 5.312 1.017 ( -3.349 3.210 2.588) 5.312 1.073 ( 3.277 -3.749 -1.792) 5.292 1.073 ( 3.277 3.749 -1.792) 5.292 1.259 ( 0.265 -0.617 0.002) 0.672 1.259 ( 0.265 0.617 0.002) 0.672 1.437 ( -0.331 -2.129 2.400) 3.225 1.437 ( -0.331 2.129 2.400) 3.225 1.571 ( -0.904 -1.626 2.139) 2.835 1.571 ( -0.904 1.626 2.139) 2.835 1.694 ( 2.582 -0.512 -1.861) 3.224 1.694 ( 2.582 0.512 -1.861) 3.224 1.736 ( -0.231 -0.709 0.015) 0.746 1.736 ( -0.231 0.709 0.015) 0.746 1.889 ( -0.153 -2.618 0.531) 2.676 1.889 ( -0.153 2.618 0.531) 2.676 1.972 ( -0.270 -0.596 -1.195) 1.362 1.972 ( -0.270 0.596 -1.195) 1.362 2.179 ( 1.029 -1.431 0.090) 1.764 2.179 ( 1.029 1.431 0.090) 1.764 2.282 ( -0.160 -1.859 2.230) 2.908 2.282 ( -0.160 1.859 2.230) 2.908 2.320 ( -1.147 -1.814 -1.786) 2.792 2.320 ( -1.147 1.814 -1.786) 2.792 2.546 ( 0.255 -0.389 -0.492) 0.677 2.546 ( 0.255 0.389 -0.492) 0.677 2.943 ( -0.191 -0.394 -0.093) 0.447 2.943 ( -0.191 0.394 -0.093) 0.447 3.048 ( 0.161 -0.246 -0.452) 0.539 3.048 ( 0.161 0.246 -0.452) 0.539 3.329 ( -0.520 -0.215 0.131) 0.578 3.329 ( -0.520 0.215 0.131) 0.578 3.742 ( -0.288 -0.476 -0.149) 0.576 3.742 ( -0.288 0.476 -0.149) 0.576 4.006 ( -5.439 -0.251 0.994) 5.535 4.006 ( -5.439 0.251 0.994) 5.535 4.026 ( 6.058 -0.040 -0.387) 6.071 4.026 ( 6.058 0.040 -0.387) 6.071 4.266 ( 0.146 -0.091 0.130) 0.215 4.266 ( 0.146 0.091 0.130) 0.215 4.595 ( -0.331 -0.220 0.185) 0.438 4.595 ( -0.331 0.220 0.185) 0.438 4.852 ( 0.158 -0.354 -0.132) 0.409 4.852 ( 0.158 0.354 -0.132) 0.409 5.229 ( -0.081 -0.570 -0.061) 0.579 5.229 ( -0.081 0.570 -0.061) 0.579 6.422 ( 0.075 -0.180 -0.116) 0.227 6.422 ( 0.075 0.180 -0.116) 0.227 8.830 ( 0.147 -0.737 0.443) 0.872 8.830 ( 0.147 0.737 0.443) 0.872 13.164 ( -0.260 -0.492 0.192) 0.588 13.164 ( -0.260 0.492 0.192) 0.588 13.285 ( 0.075 -0.791 0.642) 1.021 13.285 ( 0.075 0.791 0.642) 1.021 13.356 ( 0.454 -0.350 -1.422) 1.533 13.356 ( 0.454 0.350 -1.422) 1.533 13.601 ( -2.801 -0.449 1.368) 3.150 13.601 ( -2.801 0.449 1.368) 3.150 13.658 ( 2.201 -0.804 -1.915) 3.027 13.658 ( 2.201 0.804 -1.915) 3.027 ======================= Grid point 155 (89/96) ======================= q-point: ( 0.11 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -2.608 -2.746 -0.818) 3.874 0.500 ( -2.608 2.746 -0.818) 3.874 0.670 ( 7.532 -1.759 -0.367) 7.744 0.670 ( 7.532 1.759 -0.367) 7.744 0.813 ( 8.751 -0.286 1.072) 8.821 0.813 ( 8.751 0.286 1.072) 8.821 0.993 ( 0.280 -3.467 1.601) 3.829 0.993 ( 0.280 3.467 1.601) 3.829 1.124 ( 4.569 -4.254 -2.997) 6.925 1.124 ( 4.569 4.254 -2.997) 6.925 1.290 ( 4.055 -2.424 0.077) 4.725 1.290 ( 4.055 2.424 0.077) 4.725 1.418 ( -2.874 -1.206 0.418) 3.145 1.418 ( -2.874 1.206 0.418) 3.145 1.577 ( -0.397 -2.652 0.783) 2.793 1.577 ( -0.397 2.652 0.783) 2.793 1.670 ( -1.699 -2.109 -3.836) 4.696 1.670 ( -1.699 2.109 -3.836) 4.696 1.758 ( 2.289 -1.105 0.479) 2.587 1.758 ( 2.289 1.105 0.479) 2.587 1.901 ( 0.939 -2.372 -0.298) 2.568 1.901 ( 0.939 2.372 -0.298) 2.568 1.966 ( 0.002 -2.300 1.012) 2.513 1.966 ( 0.002 2.300 1.012) 2.513 2.191 ( 1.483 -0.789 -1.778) 2.446 2.191 ( 1.483 0.789 -1.778) 2.446 2.268 ( -2.393 -1.872 -0.103) 3.040 2.268 ( -2.393 1.872 -0.103) 3.040 2.349 ( 3.672 -0.949 1.806) 4.200 2.349 ( 3.672 0.949 1.806) 4.200 2.533 ( -1.240 -1.514 -0.218) 1.969 2.533 ( -1.240 1.514 -0.218) 1.969 2.950 ( 0.570 -0.506 0.441) 0.881 2.950 ( 0.570 0.506 0.441) 0.881 3.050 ( 0.700 -0.669 0.051) 0.969 3.050 ( 0.700 0.669 0.051) 0.969 3.356 ( 2.685 -0.569 0.523) 2.794 3.356 ( 2.685 0.569 0.523) 2.794 3.712 ( -3.835 -1.178 0.539) 4.048 3.712 ( -3.835 1.178 0.539) 4.048 3.912 ( -5.695 -0.104 0.272) 5.702 3.912 ( -5.695 0.104 0.272) 5.702 4.135 ( 7.262 -0.214 -1.337) 7.387 4.135 ( 7.262 0.214 -1.337) 7.387 4.274 ( 1.057 -0.537 -0.274) 1.217 4.274 ( 1.057 0.537 -0.274) 1.217 4.588 ( -1.103 -0.467 0.533) 1.311 4.588 ( -1.103 0.467 0.533) 1.311 4.837 ( -1.432 -1.027 -0.203) 1.773 4.837 ( -1.432 1.027 -0.203) 1.773 5.216 ( -1.653 -0.502 0.161) 1.735 5.216 ( -1.653 0.502 0.161) 1.735 6.423 ( 0.176 -0.665 -0.083) 0.693 6.423 ( 0.176 0.665 -0.083) 0.693 8.798 ( -3.839 -0.400 -0.356) 3.876 8.798 ( -3.839 0.400 -0.356) 3.876 13.187 ( 2.330 -0.071 0.404) 2.365 13.187 ( 2.330 0.071 0.404) 2.365 13.287 ( -0.169 -0.173 -0.148) 0.284 13.287 ( -0.169 0.173 -0.148) 0.284 13.371 ( 2.678 -1.154 -0.379) 2.941 13.371 ( 2.678 1.154 -0.379) 2.941 13.617 ( 1.513 -0.705 2.555) 3.052 13.617 ( 1.513 0.705 2.555) 3.052 13.712 ( 6.651 -1.102 -1.521) 6.911 13.712 ( 6.651 1.102 -1.521) 6.911 ======================= Grid point 157 (90/96) ======================= q-point: ( 0.22 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.240 -1.395 1.847) 2.327 0.479 ( 0.240 1.395 1.847) 2.327 0.717 ( -0.636 -3.612 0.129) 3.670 0.717 ( -0.636 3.612 0.129) 3.670 0.885 ( 1.789 -3.266 -1.088) 3.880 0.885 ( 1.789 3.266 -1.088) 3.880 1.118 ( 1.924 -6.929 -4.551) 8.510 1.118 ( 1.924 6.929 -4.551) 8.510 1.155 ( 10.824 -3.775 1.526) 11.565 1.155 ( 10.824 3.775 1.526) 11.565 1.352 ( 1.499 -0.565 -2.446) 2.924 1.352 ( 1.499 0.565 -2.446) 2.924 1.437 ( 2.534 -1.427 2.015) 3.538 1.437 ( 2.534 1.427 2.015) 3.538 1.565 ( -2.712 -4.060 -1.922) 5.247 1.565 ( -2.712 4.060 -1.922) 5.247 1.617 ( 5.500 -0.848 -1.388) 5.735 1.617 ( 5.500 0.848 -1.388) 5.735 1.790 ( 2.238 -1.785 -1.041) 3.046 1.790 ( 2.238 1.785 -1.041) 3.046 1.913 ( 0.804 -2.673 -0.090) 2.793 1.913 ( 0.804 2.673 -0.090) 2.793 1.993 ( 1.249 -2.958 1.410) 3.507 1.993 ( 1.249 2.958 1.410) 3.507 2.174 ( 0.499 -1.318 -4.105) 4.340 2.174 ( 0.499 1.318 -4.105) 4.340 2.227 ( -2.116 -3.491 0.389) 4.101 2.227 ( -2.116 3.491 0.389) 4.101 2.436 ( 2.507 -0.691 1.066) 2.810 2.436 ( 2.507 0.691 1.066) 2.810 2.518 ( 1.043 -1.437 0.210) 1.788 2.518 ( 1.043 1.437 0.210) 1.788 2.964 ( 0.059 -1.732 0.670) 1.858 2.964 ( 0.059 1.732 0.670) 1.858 3.080 ( 2.052 -0.901 0.973) 2.443 3.080 ( 2.052 0.901 0.973) 2.443 3.414 ( 3.236 -0.563 0.376) 3.306 3.414 ( 3.236 0.563 0.376) 3.306 3.612 ( -8.997 -1.517 0.332) 9.130 3.612 ( -8.997 1.517 0.332) 9.130 3.841 ( -2.298 -0.936 -0.058) 2.482 3.841 ( -2.298 0.936 -0.058) 2.482 4.217 ( 2.213 -0.514 -0.112) 2.275 4.217 ( 2.213 0.514 -0.112) 2.275 4.321 ( 6.374 -0.779 -0.209) 6.425 4.321 ( 6.374 0.779 -0.209) 6.425 4.568 ( -2.420 -0.644 0.876) 2.653 4.568 ( -2.420 0.644 0.876) 2.653 4.809 ( -1.409 -2.366 -0.143) 2.757 4.809 ( -1.409 2.366 -0.143) 2.757 5.173 ( -3.806 -1.444 0.101) 4.072 5.173 ( -3.806 1.444 0.101) 4.072 6.427 ( 0.246 -1.227 0.067) 1.253 6.427 ( 0.246 1.227 0.067) 1.253 8.707 ( -5.552 -0.175 -0.842) 5.618 8.707 ( -5.552 0.175 -0.842) 5.618 13.239 ( 2.563 -0.457 0.685) 2.692 13.239 ( 2.563 0.457 0.685) 2.692 13.283 ( 0.224 -0.286 -0.137) 0.388 13.283 ( 0.224 0.286 -0.137) 0.388 13.428 ( 4.132 -1.532 -0.134) 4.409 13.428 ( 4.132 1.532 -0.134) 4.409 13.690 ( 3.598 -1.290 1.496) 4.105 13.690 ( 3.598 1.290 1.496) 4.105 13.837 ( 8.076 -2.375 0.837) 8.460 13.837 ( 8.076 2.375 0.837) 8.460 ======================= Grid point 159 (91/96) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 2.448 -0.150 4.372) 5.013 0.546 ( 2.448 0.150 4.372) 5.013 0.695 ( -0.640 -0.663 0.106) 0.928 0.695 ( -0.640 0.663 0.106) 0.928 0.907 ( 2.667 -3.022 -2.118) 4.553 0.907 ( 2.667 3.022 -2.118) 4.553 1.095 ( 1.243 -7.055 -2.541) 7.601 1.095 ( 1.243 7.055 -2.541) 7.601 1.305 ( 3.634 -1.675 -0.180) 4.005 1.305 ( 3.634 1.675 -0.180) 4.005 1.345 ( 1.114 -4.493 -3.008) 5.520 1.345 ( 1.114 4.493 -3.008) 5.520 1.407 ( -1.112 -2.913 0.180) 3.123 1.407 ( -1.112 2.913 0.180) 3.123 1.514 ( -1.571 -3.733 -1.257) 4.241 1.514 ( -1.571 3.733 -1.257) 4.241 1.688 ( 0.567 -2.225 -2.080) 3.098 1.688 ( 0.567 2.225 -2.080) 3.098 1.870 ( 5.743 -2.049 -0.119) 6.099 1.870 ( 5.743 2.049 -0.119) 6.099 1.937 ( 2.754 -0.939 0.381) 2.935 1.937 ( 2.754 0.939 0.381) 2.935 2.026 ( 0.572 -1.873 0.581) 2.042 2.026 ( 0.572 1.873 0.581) 2.042 2.114 ( -2.918 -0.937 -1.467) 3.398 2.114 ( -2.918 0.937 -1.467) 3.398 2.251 ( 7.004 -4.739 -1.743) 8.635 2.251 ( 7.004 4.739 -1.743) 8.635 2.444 ( 1.140 -1.585 -0.583) 2.038 2.444 ( 1.140 1.585 -0.583) 2.038 2.583 ( 3.977 -0.604 0.560) 4.062 2.583 ( 3.977 0.604 0.560) 4.062 2.963 ( -0.874 -2.703 0.357) 2.863 2.963 ( -0.874 2.703 0.357) 2.863 3.131 ( 2.029 -0.851 1.079) 2.450 3.131 ( 2.029 0.851 1.079) 2.450 3.391 ( -12.223 -1.016 0.324) 12.269 3.391 ( -12.223 1.016 0.324) 12.269 3.508 ( 2.636 -1.128 0.172) 2.873 3.508 ( 2.636 1.128 0.172) 2.873 3.832 ( 0.527 -0.765 0.211) 0.953 3.832 ( 0.527 0.765 0.211) 0.953 4.221 ( -0.562 -0.556 -0.137) 0.802 4.221 ( -0.562 0.556 -0.137) 0.802 4.457 ( 7.510 -0.580 1.241) 7.634 4.457 ( 7.510 0.580 1.241) 7.634 4.525 ( -3.419 -0.531 0.646) 3.520 4.525 ( -3.419 0.531 0.646) 3.520 4.794 ( -0.318 -2.796 0.060) 2.815 4.794 ( -0.318 2.796 0.060) 2.815 5.092 ( -5.491 -2.019 -0.136) 5.852 5.092 ( -5.491 2.019 -0.136) 5.852 6.433 ( 0.259 -1.237 0.234) 1.285 6.433 ( 0.259 1.237 0.234) 1.285 8.608 ( -4.555 -0.072 -0.795) 4.624 8.608 ( -4.555 0.072 -0.795) 4.624 13.264 ( -0.135 -0.550 0.492) 0.750 13.264 ( -0.135 0.550 0.492) 0.750 13.308 ( 1.974 -0.061 0.448) 2.025 13.308 ( 1.974 0.061 0.448) 2.025 13.496 ( 4.059 -1.553 -0.466) 4.371 13.496 ( 4.059 1.553 -0.466) 4.371 13.763 ( 3.230 -1.915 0.764) 3.832 13.763 ( 3.230 1.915 0.764) 3.832 13.974 ( 5.638 -3.571 1.716) 6.891 13.974 ( 5.638 3.571 1.716) 6.891 ======================= Grid point 161 (92/96) ======================= q-point: ( 0.44 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 2.317 -1.663 5.392) 6.100 0.649 ( 2.317 1.663 5.392) 6.100 0.714 ( 1.270 -0.805 1.030) 1.822 0.714 ( 1.270 0.805 1.030) 1.822 0.905 ( 0.831 -2.077 -3.330) 4.012 0.905 ( 0.831 2.077 -3.330) 4.012 1.092 ( 0.478 -2.693 -1.303) 3.029 1.092 ( 0.478 2.693 -1.303) 3.029 1.251 ( -2.786 -0.582 -3.302) 4.359 1.251 ( -2.786 0.582 -3.302) 4.359 1.330 ( 0.563 -3.621 -0.768) 3.744 1.330 ( 0.563 3.621 -0.768) 3.744 1.456 ( -0.096 -1.913 -0.219) 1.928 1.456 ( -0.096 1.913 -0.219) 1.928 1.501 ( 2.551 -4.616 1.917) 5.611 1.501 ( 2.551 4.616 1.917) 5.611 1.637 ( -1.270 -3.857 -3.890) 5.624 1.637 ( -1.270 3.857 -3.890) 5.624 1.913 ( 1.035 -2.354 0.389) 2.601 1.913 ( 1.035 2.354 0.389) 2.601 1.962 ( -0.039 -0.179 -1.299) 1.312 1.962 ( -0.039 0.179 -1.299) 1.312 2.036 ( 0.156 -1.679 0.147) 1.693 2.036 ( 0.156 1.679 0.147) 1.693 2.066 ( -1.497 -0.463 0.566) 1.666 2.066 ( -1.497 0.463 0.566) 1.666 2.321 ( 1.092 -0.903 -0.642) 1.555 2.321 ( 1.092 0.903 -0.642) 1.555 2.551 ( 9.866 -1.394 -0.509) 9.977 2.551 ( 9.866 1.394 -0.509) 9.977 2.635 ( 1.455 -0.488 0.041) 1.535 2.635 ( 1.455 0.488 0.041) 1.535 2.954 ( -0.291 -2.070 0.236) 2.104 2.954 ( -0.291 2.070 0.236) 2.104 3.135 ( -6.584 -1.045 -0.252) 6.671 3.135 ( -6.584 1.045 -0.252) 6.671 3.197 ( -3.646 -0.889 0.593) 3.800 3.197 ( -3.646 0.889 0.593) 3.800 3.575 ( 2.692 -1.018 1.013) 3.051 3.575 ( 2.692 1.018 1.013) 3.051 3.841 ( 0.131 -0.124 -0.212) 0.279 3.841 ( 0.131 0.124 -0.212) 0.279 4.212 ( -0.167 -0.245 -0.164) 0.339 4.212 ( -0.167 0.245 -0.164) 0.339 4.472 ( -2.205 -0.101 0.425) 2.248 4.472 ( -2.205 0.101 0.425) 2.248 4.585 ( 4.261 -0.585 0.871) 4.388 4.585 ( 4.261 0.585 0.871) 4.388 4.799 ( 0.662 -1.003 0.353) 1.253 4.799 ( 0.662 1.003 0.353) 1.253 5.001 ( -4.093 -1.677 -0.328) 4.435 5.001 ( -4.093 1.677 -0.328) 4.435 6.439 ( 0.159 -0.717 0.205) 0.762 6.439 ( 0.159 0.717 0.205) 0.762 8.546 ( -1.768 -0.142 -0.461) 1.833 8.546 ( -1.768 0.142 -0.461) 1.833 13.266 ( -0.168 -0.397 0.374) 0.570 13.266 ( -0.168 0.397 0.374) 0.570 13.337 ( 0.543 -0.153 0.555) 0.791 13.337 ( 0.543 0.153 0.555) 0.791 13.541 ( 1.911 -1.130 -0.719) 2.334 13.541 ( 1.911 1.130 -0.719) 2.334 13.810 ( 1.088 -1.630 0.717) 2.086 13.810 ( 1.088 1.630 0.717) 2.086 14.055 ( 2.192 -2.354 0.782) 3.310 14.055 ( 2.192 2.354 0.782) 3.310 ======================= Grid point 163 (93/96) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -3.533 -2.009 1.390) 4.295 0.707 ( -3.533 2.009 1.390) 4.295 0.726 ( 0.071 -1.108 -0.308) 1.152 0.726 ( 0.071 1.108 -0.308) 1.152 0.881 ( 2.342 -2.993 -2.710) 4.667 0.881 ( 2.342 2.993 -2.710) 4.667 1.064 ( -2.956 -2.699 1.261) 4.196 1.064 ( -2.956 2.699 1.261) 4.196 1.217 ( 0.921 -0.177 0.276) 0.977 1.217 ( 0.921 0.177 0.276) 0.977 1.317 ( -1.781 -1.939 0.529) 2.686 1.317 ( -1.781 1.939 0.529) 2.686 1.461 ( 2.118 -2.930 -0.801) 3.703 1.461 ( 2.118 2.930 -0.801) 3.703 1.558 ( -2.177 -3.886 -3.337) 5.565 1.558 ( -2.177 3.886 -3.337) 5.565 1.572 ( 1.549 -3.965 2.254) 4.816 1.572 ( 1.549 3.965 2.254) 4.816 1.924 ( -0.669 -0.782 -0.493) 1.142 1.924 ( -0.669 0.782 -0.493) 1.142 1.946 ( 0.455 -0.882 0.088) 0.996 1.946 ( 0.455 0.882 0.088) 0.996 2.031 ( -0.685 -1.973 0.509) 2.149 2.031 ( -0.685 1.973 0.509) 2.149 2.073 ( 1.099 -0.849 -0.044) 1.389 2.073 ( 1.099 0.849 -0.044) 1.389 2.318 ( -0.802 -1.457 -0.305) 1.691 2.318 ( -0.802 1.457 -0.305) 1.691 2.542 ( -11.015 -1.953 0.443) 11.195 2.542 ( -11.015 1.953 0.443) 11.195 2.637 ( -0.909 -0.808 -0.247) 1.241 2.637 ( -0.909 0.808 -0.247) 1.241 2.948 ( -0.645 -1.019 0.728) 1.408 2.948 ( -0.645 1.019 0.728) 1.408 3.135 ( 7.322 -1.144 -0.136) 7.412 3.135 ( 7.322 1.144 -0.136) 7.412 3.204 ( 3.567 -0.470 -0.187) 3.602 3.204 ( 3.567 0.470 -0.187) 3.602 3.587 ( -2.246 -0.152 -0.238) 2.263 3.587 ( -2.246 0.152 -0.238) 2.263 3.836 ( -0.348 -0.095 0.258) 0.444 3.836 ( -0.348 0.095 0.258) 0.444 4.212 ( 0.411 -0.353 -0.206) 0.580 4.212 ( 0.411 0.353 -0.206) 0.580 4.473 ( 1.895 -0.602 0.296) 2.010 4.473 ( 1.895 0.602 0.296) 2.010 4.598 ( -3.038 -0.381 -0.526) 3.107 4.598 ( -3.038 0.381 -0.526) 3.107 4.802 ( -0.967 -0.419 0.096) 1.059 4.802 ( -0.967 0.419 0.096) 1.059 4.996 ( 3.872 -1.357 0.230) 4.110 4.996 ( 3.872 1.357 0.230) 4.110 6.442 ( -0.037 -0.093 -0.026) 0.103 6.442 ( -0.037 0.093 -0.026) 0.103 8.542 ( 1.621 -0.387 -0.037) 1.667 8.542 ( 1.621 0.387 -0.037) 1.667 13.268 ( 0.071 -0.157 0.138) 0.221 13.268 ( 0.071 0.157 0.138) 0.221 13.337 ( -1.337 -0.443 0.516) 1.501 13.337 ( -1.337 0.443 0.516) 1.501 13.540 ( -1.075 -0.389 -0.606) 1.294 13.540 ( -1.075 0.389 -0.606) 1.294 13.813 ( -1.657 -0.661 0.485) 1.848 13.813 ( -1.657 0.661 0.485) 1.848 14.068 ( -0.780 -0.707 -0.509) 1.169 14.068 ( -0.780 0.707 -0.509) 1.169 ======================= Grid point 165 (94/96) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -5.461 -3.256 -1.750) 6.594 0.607 ( -5.461 3.256 -1.750) 6.594 0.712 ( 0.099 -0.473 -1.464) 1.541 0.712 ( 0.099 0.473 -1.464) 1.541 0.884 ( -0.949 -5.751 -0.389) 5.842 0.884 ( -0.949 5.751 -0.389) 5.842 1.049 ( -2.042 -7.182 2.533) 7.884 1.049 ( -2.042 7.182 2.533) 7.884 1.251 ( -1.526 -1.282 3.669) 4.176 1.251 ( -1.526 1.282 3.669) 4.176 1.305 ( -0.798 -5.430 1.547) 5.703 1.305 ( -0.798 5.430 1.547) 5.703 1.455 ( -0.346 -0.609 -3.849) 3.912 1.455 ( -0.346 0.609 -3.849) 3.912 1.505 ( 0.634 -3.246 -0.508) 3.346 1.505 ( 0.634 3.246 -0.508) 3.346 1.635 ( 1.398 -3.358 3.291) 4.906 1.635 ( 1.398 3.358 3.291) 4.906 1.875 ( -5.896 -0.427 -0.472) 5.930 1.875 ( -5.896 0.427 -0.472) 5.930 1.947 ( -1.266 -0.834 -0.611) 1.635 1.947 ( -1.266 0.834 -0.611) 1.635 2.028 ( -0.610 -2.644 0.094) 2.715 2.028 ( -0.610 2.644 0.094) 2.715 2.076 ( -2.570 -2.891 2.401) 4.553 2.076 ( -2.570 2.891 2.401) 4.553 2.238 ( -4.878 -4.191 -0.318) 6.439 2.238 ( -4.878 4.191 -0.318) 6.439 2.434 ( -0.033 -1.272 0.502) 1.368 2.434 ( -0.033 1.272 0.502) 1.368 2.593 ( -3.611 -0.547 -0.489) 3.684 2.593 ( -3.611 0.547 -0.489) 3.684 2.961 ( 0.687 -1.821 0.616) 2.041 2.961 ( 0.687 1.821 0.616) 2.041 3.148 ( -1.675 -0.566 -0.785) 1.935 3.148 ( -1.675 0.566 -0.785) 1.935 3.395 ( 12.987 -0.807 0.024) 13.012 3.395 ( 12.987 0.807 0.024) 13.012 3.515 ( -4.083 -0.666 -0.573) 4.177 3.515 ( -4.083 0.666 -0.573) 4.177 3.834 ( -0.208 -0.743 0.006) 0.772 3.834 ( -0.208 0.743 0.006) 0.772 4.221 ( 0.841 -0.699 -0.119) 1.100 4.221 ( 0.841 0.699 -0.119) 1.100 4.487 ( -7.410 -0.567 -1.719) 7.627 4.487 ( -7.410 0.567 -1.719) 7.627 4.530 ( 3.490 -0.833 0.157) 3.592 4.530 ( 3.490 0.833 0.157) 3.592 4.794 ( 0.172 -2.662 0.043) 2.668 4.794 ( 0.172 2.662 0.043) 2.668 5.088 ( 5.587 -2.377 0.244) 6.076 5.088 ( 5.587 2.377 0.244) 6.076 6.438 ( -0.223 -0.824 -0.245) 0.888 6.438 ( -0.223 0.824 -0.245) 0.888 8.596 ( 4.265 -0.524 0.494) 4.325 8.596 ( 4.265 0.524 0.494) 4.325 13.271 ( 0.116 -0.191 -0.029) 0.226 13.271 ( 0.116 0.191 -0.029) 0.226 13.305 ( -3.064 -0.703 0.491) 3.181 13.305 ( -3.064 0.703 0.491) 3.181 13.496 ( -3.028 -0.301 -0.512) 3.086 13.496 ( -3.028 0.301 -0.512) 3.086 13.770 ( -3.636 -0.218 0.088) 3.643 13.770 ( -3.636 0.218 0.088) 3.643 14.014 ( -3.970 -3.611 -2.149) 5.781 14.014 ( -3.970 3.611 -2.149) 5.781 ======================= Grid point 167 (95/96) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -3.439 -4.421 -0.906) 5.674 0.512 ( -3.439 4.421 -0.906) 5.674 0.721 ( 1.334 -2.607 -0.115) 2.931 0.721 ( 1.334 2.607 -0.115) 2.931 0.854 ( -2.540 -5.002 1.237) 5.745 0.854 ( -2.540 5.002 1.237) 5.745 1.040 ( -3.327 -6.886 3.276) 8.320 1.040 ( -3.327 6.886 3.276) 8.320 1.186 ( -8.682 -4.142 -0.646) 9.641 1.186 ( -8.682 4.142 -0.646) 9.641 1.307 ( -1.499 -1.933 1.814) 3.046 1.307 ( -1.499 1.933 1.814) 3.046 1.456 ( 1.008 -1.591 -0.279) 1.904 1.456 ( 1.008 1.591 -0.279) 1.904 1.510 ( -1.561 -2.919 2.672) 4.254 1.510 ( -1.561 2.919 2.672) 4.254 1.626 ( -4.711 -2.184 -1.209) 5.332 1.626 ( -4.711 2.184 -1.209) 5.332 1.760 ( -2.470 -1.975 2.091) 3.792 1.760 ( -2.470 1.975 2.091) 3.792 1.920 ( -0.456 -2.920 -0.815) 3.066 1.920 ( -0.456 2.920 -0.815) 3.066 2.007 ( -1.344 -2.014 0.134) 2.425 2.007 ( -1.344 2.014 0.134) 2.425 2.095 ( -0.240 -1.826 3.893) 4.306 2.095 ( -0.240 1.826 3.893) 4.306 2.236 ( 2.869 -3.302 -0.719) 4.433 2.236 ( 2.869 3.302 -0.719) 4.433 2.452 ( -0.860 -0.603 -0.580) 1.199 2.452 ( -0.860 0.603 -0.580) 1.199 2.526 ( -1.507 -1.009 -0.626) 1.918 2.526 ( -1.507 1.009 -0.626) 1.918 2.971 ( -0.248 -1.576 0.016) 1.596 2.971 ( -0.248 1.576 0.016) 1.596 3.101 ( -2.188 -0.635 -1.116) 2.537 3.101 ( -2.188 0.635 -1.116) 2.537 3.421 ( -3.477 -0.639 -0.311) 3.549 3.421 ( -3.477 0.639 -0.311) 3.549 3.614 ( 9.727 -1.338 0.028) 9.818 3.614 ( 9.727 1.338 0.028) 9.818 3.840 ( 1.623 -1.491 -0.062) 2.204 3.840 ( 1.623 1.491 -0.062) 2.204 4.224 ( -1.099 -0.684 -0.568) 1.413 4.224 ( -1.099 0.684 -0.568) 1.413 4.328 ( -7.964 -0.454 -0.996) 8.039 4.328 ( -7.964 0.454 -0.996) 8.039 4.580 ( 2.098 -1.065 -0.343) 2.378 4.580 ( 2.098 1.065 -0.343) 2.378 4.807 ( 1.377 -2.858 -0.008) 3.172 4.807 ( 1.377 2.858 -0.008) 3.172 5.172 ( 3.820 -2.022 0.185) 4.326 5.172 ( 3.820 2.022 0.185) 4.326 6.430 ( -0.258 -1.154 -0.273) 1.213 6.430 ( -0.258 1.154 -0.273) 1.213 8.688 ( 5.259 -0.517 1.089) 5.396 8.688 ( 5.259 0.517 1.089) 5.396 13.249 ( -3.736 -1.104 0.099) 3.897 13.249 ( -3.736 1.104 0.099) 3.897 13.273 ( -0.290 -0.740 0.465) 0.920 13.273 ( -0.290 0.740 0.465) 0.920 13.435 ( -2.947 -0.598 -0.847) 3.124 13.435 ( -2.947 0.598 -0.847) 3.124 13.704 ( -3.800 -0.421 -0.160) 3.826 13.704 ( -3.800 0.421 -0.160) 3.826 13.882 ( -7.349 -3.850 -3.461) 8.989 13.882 ( -7.349 3.850 -3.461) 8.989 ======================= Grid point 169 (96/96) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.074 -6.482 0.680) 6.518 0.484 ( 0.074 6.482 0.680) 6.518 0.678 ( -7.168 -2.578 -0.642) 7.644 0.678 ( -7.168 2.578 -0.642) 7.644 0.800 ( -7.429 -2.438 1.807) 8.025 0.800 ( -7.429 2.438 1.807) 8.025 1.014 ( -1.681 -1.195 1.911) 2.812 1.014 ( -1.681 1.195 1.911) 2.812 1.073 ( -1.563 -5.456 -0.047) 5.676 1.073 ( -1.563 5.456 -0.047) 5.676 1.284 ( -3.337 -1.430 0.780) 3.713 1.284 ( -3.337 1.430 0.780) 3.713 1.409 ( -1.417 -3.038 1.275) 3.586 1.409 ( -1.417 3.038 1.275) 3.586 1.551 ( -0.649 -0.860 3.601) 3.758 1.551 ( -0.649 0.860 3.601) 3.758 1.636 ( 5.275 -2.277 -0.730) 5.792 1.636 ( 5.275 2.277 -0.730) 5.792 1.755 ( -1.720 -1.404 0.788) 2.356 1.755 ( -1.720 1.404 0.788) 2.356 1.900 ( -0.956 -4.110 -0.458) 4.244 1.900 ( -0.956 4.110 -0.458) 4.244 1.991 ( -0.137 -1.572 -1.038) 1.889 1.991 ( -0.137 1.572 -1.038) 1.889 2.145 ( 0.712 -2.451 3.117) 4.029 2.145 ( 0.712 2.451 3.117) 4.029 2.267 ( 1.167 -2.452 -0.380) 2.742 2.267 ( 1.167 2.452 -0.380) 2.742 2.380 ( -3.622 -1.856 -1.442) 4.317 2.380 ( -3.622 1.856 -1.442) 4.317 2.537 ( 1.623 -0.879 -0.585) 1.937 2.537 ( 1.623 0.879 -0.585) 1.937 2.957 ( -0.935 -0.297 -0.243) 1.010 2.957 ( -0.935 0.297 -0.243) 1.010 3.060 ( -0.967 -0.614 -0.893) 1.453 3.060 ( -0.967 0.614 -0.893) 1.453 3.365 ( -2.828 -0.658 -0.392) 2.930 3.365 ( -2.828 0.658 -0.392) 2.930 3.723 ( 3.581 -1.737 -0.587) 4.023 3.723 ( 3.581 1.737 -0.587) 4.023 3.908 ( 5.793 -0.632 0.699) 5.869 3.908 ( 5.793 0.632 0.699) 5.869 4.122 ( -7.849 -0.058 -0.135) 7.850 4.122 ( -7.849 0.058 -0.135) 7.850 4.266 ( -0.867 -0.302 0.507) 1.049 4.266 ( -0.867 0.302 0.507) 1.049 4.595 ( 0.389 -0.536 -0.214) 0.696 4.595 ( 0.389 0.536 -0.214) 0.696 4.836 ( 1.660 -1.641 -0.024) 2.334 4.836 ( 1.660 1.641 -0.024) 2.334 5.218 ( 1.615 -1.448 -0.010) 2.169 5.218 ( 1.615 1.448 -0.010) 2.169 6.424 ( -0.103 -0.909 -0.167) 0.930 6.424 ( -0.103 0.909 -0.167) 0.930 8.784 ( 3.936 -0.734 1.137) 4.162 8.784 ( 3.936 0.734 1.137) 4.162 13.191 ( -2.962 -0.948 0.115) 3.112 13.191 ( -2.962 0.948 0.115) 3.112 13.276 ( -0.131 -0.982 0.719) 1.224 13.276 ( -0.131 0.982 0.719) 1.224 13.383 ( -1.490 -0.597 -1.396) 2.127 13.383 ( -1.490 0.597 -1.396) 2.127 13.648 ( -2.532 -0.165 -0.192) 2.545 13.648 ( -2.532 0.165 -0.192) 2.545 13.716 ( -6.538 -1.125 -2.455) 7.074 13.716 ( -6.538 1.125 -2.455) 7.074 =================== 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 3/16632 10.0 3.040 1.934 2.079 0.000 -0.303 0.000 3/16632 20.0 1.214 0.685 0.685 0.000 -0.081 0.000 3/16632 30.0 0.805 0.414 0.404 0.000 -0.046 0.000 3/16632 40.0 0.634 0.300 0.290 0.000 -0.032 0.000 3/16632 50.0 0.539 0.237 0.227 0.000 -0.025 0.000 3/16632 60.0 0.477 0.196 0.188 0.000 -0.020 0.000 3/16632 70.0 0.432 0.168 0.161 0.000 -0.017 0.000 3/16632 80.0 0.398 0.148 0.141 0.000 -0.015 0.000 3/16632 90.0 0.372 0.133 0.127 0.000 -0.013 0.000 3/16632 100.0 0.350 0.120 0.116 0.000 -0.012 0.000 3/16632 110.0 0.333 0.111 0.107 0.000 -0.011 0.000 3/16632 120.0 0.319 0.103 0.100 0.000 -0.010 0.000 3/16632 130.0 0.306 0.096 0.094 0.000 -0.010 0.000 3/16632 140.0 0.295 0.091 0.089 0.000 -0.009 0.000 3/16632 150.0 0.286 0.086 0.085 0.000 -0.009 0.000 3/16632 160.0 0.277 0.081 0.081 0.000 -0.008 0.000 3/16632 170.0 0.268 0.078 0.078 0.000 -0.008 0.000 3/16632 180.0 0.261 0.074 0.075 0.000 -0.008 0.000 3/16632 190.0 0.253 0.071 0.072 0.000 -0.007 0.000 3/16632 200.0 0.247 0.068 0.069 0.000 -0.007 0.000 3/16632 210.0 0.240 0.066 0.067 0.000 -0.007 0.000 3/16632 220.0 0.234 0.064 0.065 0.000 -0.007 0.000 3/16632 230.0 0.228 0.061 0.063 0.000 -0.006 0.000 3/16632 240.0 0.222 0.059 0.061 0.000 -0.006 0.000 3/16632 250.0 0.216 0.057 0.059 0.000 -0.006 0.000 3/16632 260.0 0.211 0.056 0.058 0.000 -0.006 0.000 3/16632 270.0 0.206 0.054 0.056 0.000 -0.006 0.000 3/16632 280.0 0.201 0.052 0.055 0.000 -0.006 0.000 3/16632 290.0 0.196 0.051 0.053 0.000 -0.005 0.000 3/16632 300.0 0.191 0.049 0.052 0.000 -0.005 0.000 3/16632 310.0 0.187 0.048 0.051 0.000 -0.005 0.000 3/16632 320.0 0.183 0.047 0.049 0.000 -0.005 0.000 3/16632 330.0 0.179 0.046 0.048 0.000 -0.005 0.000 3/16632 340.0 0.175 0.044 0.047 0.000 -0.005 0.000 3/16632 350.0 0.171 0.043 0.046 0.000 -0.005 0.000 3/16632 360.0 0.167 0.042 0.045 0.000 -0.004 0.000 3/16632 370.0 0.164 0.041 0.044 0.000 -0.004 0.000 3/16632 380.0 0.161 0.040 0.043 0.000 -0.004 0.000 3/16632 390.0 0.157 0.039 0.042 0.000 -0.004 0.000 3/16632 400.0 0.154 0.039 0.041 0.000 -0.004 0.000 3/16632 410.0 0.151 0.038 0.040 0.000 -0.004 0.000 3/16632 420.0 0.148 0.037 0.039 0.000 -0.004 0.000 3/16632 430.0 0.145 0.036 0.039 0.000 -0.004 0.000 3/16632 440.0 0.143 0.035 0.038 0.000 -0.004 0.000 3/16632 450.0 0.140 0.035 0.037 0.000 -0.004 0.000 3/16632 460.0 0.137 0.034 0.036 0.000 -0.004 0.000 3/16632 470.0 0.135 0.033 0.036 0.000 -0.004 0.000 3/16632 480.0 0.133 0.033 0.035 0.000 -0.003 0.000 3/16632 490.0 0.130 0.032 0.035 0.000 -0.003 0.000 3/16632 500.0 0.128 0.032 0.034 0.000 -0.003 0.000 3/16632 510.0 0.126 0.031 0.033 0.000 -0.003 0.000 3/16632 520.0 0.124 0.030 0.033 0.000 -0.003 0.000 3/16632 530.0 0.122 0.030 0.032 0.000 -0.003 0.000 3/16632 540.0 0.120 0.029 0.032 0.000 -0.003 0.000 3/16632 550.0 0.118 0.029 0.031 0.000 -0.003 0.000 3/16632 560.0 0.116 0.028 0.031 0.000 -0.003 0.000 3/16632 570.0 0.114 0.028 0.030 0.000 -0.003 0.000 3/16632 580.0 0.112 0.028 0.030 0.000 -0.003 0.000 3/16632 590.0 0.111 0.027 0.029 0.000 -0.003 0.000 3/16632 600.0 0.109 0.027 0.029 0.000 -0.003 0.000 3/16632 610.0 0.108 0.026 0.028 0.000 -0.003 0.000 3/16632 620.0 0.106 0.026 0.028 0.000 -0.003 0.000 3/16632 630.0 0.104 0.025 0.028 0.000 -0.003 0.000 3/16632 640.0 0.103 0.025 0.027 0.000 -0.003 0.000 3/16632 650.0 0.102 0.025 0.027 0.000 -0.003 0.000 3/16632 660.0 0.100 0.024 0.026 0.000 -0.003 0.000 3/16632 670.0 0.099 0.024 0.026 0.000 -0.003 0.000 3/16632 680.0 0.097 0.024 0.026 0.000 -0.003 0.000 3/16632 690.0 0.096 0.023 0.025 0.000 -0.002 0.000 3/16632 700.0 0.095 0.023 0.025 0.000 -0.002 0.000 3/16632 710.0 0.094 0.023 0.025 0.000 -0.002 0.000 3/16632 720.0 0.092 0.022 0.024 0.000 -0.002 0.000 3/16632 730.0 0.091 0.022 0.024 0.000 -0.002 0.000 3/16632 740.0 0.090 0.022 0.024 0.000 -0.002 0.000 3/16632 750.0 0.089 0.022 0.023 0.000 -0.002 0.000 3/16632 760.0 0.088 0.021 0.023 0.000 -0.002 0.000 3/16632 770.0 0.087 0.021 0.023 0.000 -0.002 0.000 3/16632 780.0 0.086 0.021 0.023 0.000 -0.002 0.000 3/16632 790.0 0.085 0.021 0.022 0.000 -0.002 0.000 3/16632 800.0 0.084 0.020 0.022 0.000 -0.002 0.000 3/16632 810.0 0.083 0.020 0.022 0.000 -0.002 0.000 3/16632 820.0 0.082 0.020 0.021 0.000 -0.002 0.000 3/16632 830.0 0.081 0.020 0.021 0.000 -0.002 0.000 3/16632 840.0 0.080 0.019 0.021 0.000 -0.002 0.000 3/16632 850.0 0.079 0.019 0.021 0.000 -0.002 0.000 3/16632 860.0 0.078 0.019 0.021 0.000 -0.002 0.000 3/16632 870.0 0.078 0.019 0.020 0.000 -0.002 0.000 3/16632 880.0 0.077 0.019 0.020 0.000 -0.002 0.000 3/16632 890.0 0.076 0.018 0.020 0.000 -0.002 0.000 3/16632 900.0 0.075 0.018 0.020 0.000 -0.002 0.000 3/16632 910.0 0.074 0.018 0.019 0.000 -0.002 0.000 3/16632 920.0 0.074 0.018 0.019 0.000 -0.002 0.000 3/16632 930.0 0.073 0.018 0.019 0.000 -0.002 0.000 3/16632 940.0 0.072 0.017 0.019 0.000 -0.002 0.000 3/16632 950.0 0.071 0.017 0.019 0.000 -0.002 0.000 3/16632 960.0 0.071 0.017 0.018 0.000 -0.002 0.000 3/16632 970.0 0.070 0.017 0.018 0.000 -0.002 0.000 3/16632 980.0 0.069 0.017 0.018 0.000 -0.002 0.000 3/16632 990.0 0.069 0.017 0.018 0.000 -0.002 0.000 3/16632 1000.0 0.068 0.016 0.018 0.000 -0.002 0.000 3/16632 Thermal conductivity related properties were written into "kappa-m947.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:27:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|