----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:47:34]------------------------- 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: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.602910680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.759075210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.401082340000000 Atomic positions (fractional): *1 F 0.29967129721428 0.44387000477183 0.69635737525479 18.998 2 F 0.20032870278572 0.55612999522817 0.19635737525479 18.998 3 F 0.79967129721428 0.05612999522817 0.80364262474521 18.998 4 F 0.70032870278572 0.94387000477183 0.30364262474521 18.998 5 F 0.70032870278572 0.55612999522817 0.30364262474521 18.998 6 F 0.79967129721428 0.44387000477183 0.80364262474521 18.998 7 F 0.20032870278572 0.94387000477183 0.19635737525479 18.998 8 F 0.29967129721428 0.05612999522817 0.69635737525479 18.998 *9 F 0.46081384896941 0.25000000000000 0.10711843453891 18.998 10 F 0.03918615103059 0.75000000000000 0.60711843453892 18.998 11 F 0.96081384896941 0.25000000000000 0.39288156546108 18.998 12 F 0.53918615103059 0.75000000000000 0.89288156546108 18.998 *13 Na 0.94133533683323 0.75000000000000 0.01666360380273 22.990 14 Na 0.55866466316677 0.25000000000000 0.51666360380273 22.990 15 Na 0.44133533683323 0.75000000000000 0.48333639619727 22.990 16 Na 0.05866466316677 0.25000000000000 0.98333639619727 22.990 *17 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 18 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 19 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 20 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.602910680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.759075210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.401082340000000 Atomic positions (fractional): *1 F 0.29967129721428 0.44387000477183 0.69635737525479 18.998 > 1 2 F 0.20032870278572 0.55612999522817 0.19635737525479 18.998 > 2 3 F 0.79967129721428 0.05612999522817 0.80364262474521 18.998 > 3 4 F 0.70032870278572 0.94387000477183 0.30364262474521 18.998 > 4 5 F 0.70032870278572 0.55612999522817 0.30364262474521 18.998 > 5 6 F 0.79967129721428 0.44387000477183 0.80364262474521 18.998 > 6 7 F 0.20032870278572 0.94387000477183 0.19635737525479 18.998 > 7 8 F 0.29967129721428 0.05612999522817 0.69635737525479 18.998 > 8 *9 F 0.46081384896941 0.25000000000000 0.10711843453891 18.998 > 9 10 F 0.03918615103059 0.75000000000000 0.60711843453892 18.998 > 10 11 F 0.96081384896941 0.25000000000000 0.39288156546108 18.998 > 11 12 F 0.53918615103059 0.75000000000000 0.89288156546108 18.998 > 12 *13 Na 0.94133533683323 0.75000000000000 0.01666360380273 22.990 > 13 14 Na 0.55866466316677 0.25000000000000 0.51666360380273 22.990 > 14 15 Na 0.44133533683323 0.75000000000000 0.48333639619727 22.990 > 15 16 Na 0.05866466316677 0.25000000000000 0.98333639619727 22.990 > 16 *17 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 17 18 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 18 19 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 19 20 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.205821360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.759075210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.802164680000001 Atomic positions (fractional): *1 F 0.14983564860714 0.44387000477183 0.34817868762739 18.998 > 1 2 F 0.64983564860714 0.44387000477183 0.34817868762739 18.998 > 1 3 F 0.14983564860714 0.44387000477183 0.84817868762739 18.998 > 1 4 F 0.64983564860714 0.44387000477183 0.84817868762739 18.998 > 1 5 F 0.10016435139286 0.55612999522817 0.09817868762739 18.998 > 2 6 F 0.60016435139286 0.55612999522817 0.09817868762739 18.998 > 2 7 F 0.10016435139286 0.55612999522817 0.59817868762739 18.998 > 2 8 F 0.60016435139286 0.55612999522817 0.59817868762739 18.998 > 2 9 F 0.39983564860714 0.05612999522817 0.40182131237261 18.998 > 3 10 F 0.89983564860714 0.05612999522817 0.40182131237261 18.998 > 3 11 F 0.39983564860714 0.05612999522817 0.90182131237261 18.998 > 3 12 F 0.89983564860714 0.05612999522817 0.90182131237261 18.998 > 3 13 F 0.35016435139286 0.94387000477183 0.15182131237261 18.998 > 4 14 F 0.85016435139286 0.94387000477183 0.15182131237261 18.998 > 4 15 F 0.35016435139286 0.94387000477183 0.65182131237261 18.998 > 4 16 F 0.85016435139286 0.94387000477183 0.65182131237261 18.998 > 4 17 F 0.35016435139286 0.55612999522817 0.15182131237261 18.998 > 5 18 F 0.85016435139286 0.55612999522817 0.15182131237261 18.998 > 5 19 F 0.35016435139286 0.55612999522817 0.65182131237261 18.998 > 5 20 F 0.85016435139286 0.55612999522817 0.65182131237261 18.998 > 5 21 F 0.39983564860714 0.44387000477183 0.40182131237261 18.998 > 6 22 F 0.89983564860714 0.44387000477183 0.40182131237261 18.998 > 6 23 F 0.39983564860714 0.44387000477183 0.90182131237261 18.998 > 6 24 F 0.89983564860714 0.44387000477183 0.90182131237261 18.998 > 6 25 F 0.10016435139286 0.94387000477183 0.09817868762739 18.998 > 7 26 F 0.60016435139286 0.94387000477183 0.09817868762739 18.998 > 7 27 F 0.10016435139286 0.94387000477183 0.59817868762739 18.998 > 7 28 F 0.60016435139286 0.94387000477183 0.59817868762739 18.998 > 7 29 F 0.14983564860714 0.05612999522817 0.34817868762739 18.998 > 8 30 F 0.64983564860714 0.05612999522817 0.34817868762739 18.998 > 8 31 F 0.14983564860714 0.05612999522817 0.84817868762739 18.998 > 8 32 F 0.64983564860714 0.05612999522817 0.84817868762739 18.998 > 8 *33 F 0.23040692448471 0.25000000000000 0.05355921726946 18.998 > 9 34 F 0.73040692448471 0.25000000000000 0.05355921726946 18.998 > 9 35 F 0.23040692448471 0.25000000000000 0.55355921726946 18.998 > 9 36 F 0.73040692448471 0.25000000000000 0.55355921726946 18.998 > 9 37 F 0.01959307551529 0.75000000000000 0.30355921726946 18.998 > 10 38 F 0.51959307551529 0.75000000000000 0.30355921726946 18.998 > 10 39 F 0.01959307551529 0.75000000000000 0.80355921726946 18.998 > 10 40 F 0.51959307551529 0.75000000000000 0.80355921726946 18.998 > 10 41 F 0.48040692448471 0.25000000000000 0.19644078273054 18.998 > 11 42 F 0.98040692448471 0.25000000000000 0.19644078273054 18.998 > 11 43 F 0.48040692448471 0.25000000000000 0.69644078273054 18.998 > 11 44 F 0.98040692448471 0.25000000000000 0.69644078273054 18.998 > 11 45 F 0.26959307551529 0.75000000000000 0.44644078273054 18.998 > 12 46 F 0.76959307551529 0.75000000000000 0.44644078273054 18.998 > 12 47 F 0.26959307551529 0.75000000000000 0.94644078273054 18.998 > 12 48 F 0.76959307551529 0.75000000000000 0.94644078273054 18.998 > 12 *49 Na 0.47066766841661 0.75000000000000 0.00833180190136 22.990 > 13 50 Na 0.97066766841661 0.75000000000000 0.00833180190136 22.990 > 13 51 Na 0.47066766841661 0.75000000000000 0.50833180190136 22.990 > 13 52 Na 0.97066766841661 0.75000000000000 0.50833180190136 22.990 > 13 53 Na 0.27933233158339 0.25000000000000 0.25833180190137 22.990 > 14 54 Na 0.77933233158339 0.25000000000000 0.25833180190137 22.990 > 14 55 Na 0.27933233158339 0.25000000000000 0.75833180190136 22.990 > 14 56 Na 0.77933233158339 0.25000000000000 0.75833180190136 22.990 > 14 57 Na 0.22066766841661 0.75000000000000 0.24166819809863 22.990 > 15 58 Na 0.72066766841661 0.75000000000000 0.24166819809863 22.990 > 15 59 Na 0.22066766841661 0.75000000000000 0.74166819809864 22.990 > 15 60 Na 0.72066766841661 0.75000000000000 0.74166819809864 22.990 > 15 61 Na 0.02933233158339 0.25000000000000 0.49166819809863 22.990 > 16 62 Na 0.52933233158339 0.25000000000000 0.49166819809863 22.990 > 16 63 Na 0.02933233158339 0.25000000000000 0.99166819809864 22.990 > 16 64 Na 0.52933233158339 0.25000000000000 0.99166819809864 22.990 > 16 *65 Zn 0.00000000000000 0.50000000000000 0.25000000000000 65.380 > 17 66 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 17 67 Zn 0.00000000000000 0.50000000000000 0.75000000000000 65.380 > 17 68 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 17 69 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 18 70 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 18 71 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 18 72 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 18 73 Zn 0.25000000000000 0.00000000000000 0.00000000000000 65.380 > 19 74 Zn 0.75000000000000 0.00000000000000 0.00000000000000 65.380 > 19 75 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 19 76 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 19 77 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 20 78 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 20 79 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 20 80 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3155029 0.0000000 0.0000000 0.0000000 2.3120704 0.0000000 0.0000000 0.0000000 2.3076646 -------------------------- Born effective charges -------------------------- 1 F -1.2546237 0.0226962 -0.3674073 0.0263936 -0.8663740 0.0055994 -0.3641900 0.0010095 -1.2043529 2 F -1.2546237 0.0226962 0.3674073 0.0263936 -0.8663740 -0.0055994 0.3641900 -0.0010095 -1.2043529 3 F -1.2546237 -0.0226962 0.3674073 -0.0263936 -0.8663740 0.0055994 0.3641900 0.0010095 -1.2043529 4 F -1.2546237 -0.0226962 -0.3674073 -0.0263936 -0.8663740 -0.0055994 -0.3641900 -0.0010095 -1.2043529 5 F -1.2546237 0.0226962 -0.3674073 0.0263936 -0.8663740 0.0055994 -0.3641900 0.0010095 -1.2043529 6 F -1.2546237 0.0226962 0.3674073 0.0263936 -0.8663740 -0.0055994 0.3641900 -0.0010095 -1.2043529 7 F -1.2546237 -0.0226962 0.3674073 -0.0263936 -0.8663740 0.0055994 0.3641900 0.0010095 -1.2043529 8 F -1.2546237 -0.0226962 -0.3674073 -0.0263936 -0.8663740 -0.0055994 -0.3641900 -0.0010095 -1.2043529 9 F -0.8211794 0.0000000 -0.0283243 0.0000000 -1.5905094 0.0000000 0.0221859 0.0000000 -0.8947051 10 F -0.8211794 0.0000000 0.0283243 0.0000000 -1.5905094 0.0000000 -0.0221859 0.0000000 -0.8947051 11 F -0.8211794 0.0000000 0.0283243 0.0000000 -1.5905094 0.0000000 -0.0221859 0.0000000 -0.8947051 12 F -0.8211794 0.0000000 -0.0283243 0.0000000 -1.5905094 0.0000000 0.0221859 0.0000000 -0.8947051 13 Na 1.0781832 0.0000000 0.0347350 0.0000000 1.0902429 0.0000000 0.0127469 0.0000000 1.0805672 14 Na 1.0781832 0.0000000 -0.0347350 0.0000000 1.0902429 0.0000000 -0.0127469 0.0000000 1.0805672 15 Na 1.0781832 0.0000000 -0.0347350 0.0000000 1.0902429 0.0000000 -0.0127469 0.0000000 1.0805672 16 Na 1.0781832 0.0000000 0.0347350 0.0000000 1.0902429 0.0000000 0.0127469 0.0000000 1.0805672 17 Zn 2.2522436 0.0153202 -0.0852595 0.0504896 2.2330145 0.1069685 0.0868279 -0.1299905 2.2228436 18 Zn 2.2522436 0.0153202 0.0852595 0.0504896 2.2330145 -0.1069685 -0.0868279 0.1299905 2.2228436 19 Zn 2.2522436 -0.0153202 0.0852595 -0.0504896 2.2330145 0.1069685 -0.0868279 -0.1299905 2.2228436 20 Zn 2.2522436 -0.0153202 -0.0852595 -0.0504896 2.2330145 -0.1069685 0.0868279 0.1299905 2.2228436 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 320 - Time: 0.771 Solver_block: 200 / 320 - Time: 0.763 Solver_block: 300 / 320 - Time: 0.845 Solver_block: 320 / 320 - Time: 0.252 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.753 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:47:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:47:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.602910680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.759075210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.401082340000000 Atomic positions (fractional): 1 F 0.29967129721428 0.44387000477183 0.69635737525479 18.998 2 F 0.20032870278572 0.55612999522817 0.19635737525479 18.998 3 F 0.79967129721428 0.05612999522817 0.80364262474521 18.998 4 F 0.70032870278572 0.94387000477183 0.30364262474521 18.998 5 F 0.70032870278572 0.55612999522817 0.30364262474521 18.998 6 F 0.79967129721428 0.44387000477183 0.80364262474521 18.998 7 F 0.20032870278572 0.94387000477183 0.19635737525479 18.998 8 F 0.29967129721428 0.05612999522817 0.69635737525479 18.998 9 F 0.46081384896941 0.25000000000000 0.10711843453891 18.998 10 F 0.03918615103059 0.75000000000000 0.60711843453892 18.998 11 F 0.96081384896941 0.25000000000000 0.39288156546108 18.998 12 F 0.53918615103059 0.75000000000000 0.89288156546108 18.998 13 Na 0.94133533683323 0.75000000000000 0.01666360380273 22.990 14 Na 0.55866466316677 0.25000000000000 0.51666360380273 22.990 15 Na 0.44133533683323 0.75000000000000 0.48333639619727 22.990 16 Na 0.05866466316677 0.25000000000000 0.98333639619727 22.990 17 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 18 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 19 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 20 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.205821360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.759075210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.802164680000001 Atomic positions (fractional): 1 F 0.14983564860714 0.44387000477183 0.34817868762739 18.998 > 1 2 F 0.64983564860714 0.44387000477183 0.34817868762739 18.998 > 1 3 F 0.14983564860714 0.44387000477183 0.84817868762739 18.998 > 1 4 F 0.64983564860714 0.44387000477183 0.84817868762739 18.998 > 1 5 F 0.10016435139286 0.55612999522817 0.09817868762739 18.998 > 5 6 F 0.60016435139286 0.55612999522817 0.09817868762739 18.998 > 5 7 F 0.10016435139286 0.55612999522817 0.59817868762739 18.998 > 5 8 F 0.60016435139286 0.55612999522817 0.59817868762739 18.998 > 5 9 F 0.39983564860714 0.05612999522817 0.40182131237261 18.998 > 9 10 F 0.89983564860714 0.05612999522817 0.40182131237261 18.998 > 9 11 F 0.39983564860714 0.05612999522817 0.90182131237261 18.998 > 9 12 F 0.89983564860714 0.05612999522817 0.90182131237261 18.998 > 9 13 F 0.35016435139286 0.94387000477183 0.15182131237261 18.998 > 13 14 F 0.85016435139286 0.94387000477183 0.15182131237261 18.998 > 13 15 F 0.35016435139286 0.94387000477183 0.65182131237261 18.998 > 13 16 F 0.85016435139286 0.94387000477183 0.65182131237261 18.998 > 13 17 F 0.35016435139286 0.55612999522817 0.15182131237261 18.998 > 17 18 F 0.85016435139286 0.55612999522817 0.15182131237261 18.998 > 17 19 F 0.35016435139286 0.55612999522817 0.65182131237261 18.998 > 17 20 F 0.85016435139286 0.55612999522817 0.65182131237261 18.998 > 17 21 F 0.39983564860714 0.44387000477183 0.40182131237261 18.998 > 21 22 F 0.89983564860714 0.44387000477183 0.40182131237261 18.998 > 21 23 F 0.39983564860714 0.44387000477183 0.90182131237261 18.998 > 21 24 F 0.89983564860714 0.44387000477183 0.90182131237261 18.998 > 21 25 F 0.10016435139286 0.94387000477183 0.09817868762739 18.998 > 25 26 F 0.60016435139286 0.94387000477183 0.09817868762739 18.998 > 25 27 F 0.10016435139286 0.94387000477183 0.59817868762739 18.998 > 25 28 F 0.60016435139286 0.94387000477183 0.59817868762739 18.998 > 25 29 F 0.14983564860714 0.05612999522817 0.34817868762739 18.998 > 29 30 F 0.64983564860714 0.05612999522817 0.34817868762739 18.998 > 29 31 F 0.14983564860714 0.05612999522817 0.84817868762739 18.998 > 29 32 F 0.64983564860714 0.05612999522817 0.84817868762739 18.998 > 29 33 F 0.23040692448471 0.25000000000000 0.05355921726946 18.998 > 33 34 F 0.73040692448471 0.25000000000000 0.05355921726946 18.998 > 33 35 F 0.23040692448471 0.25000000000000 0.55355921726946 18.998 > 33 36 F 0.73040692448471 0.25000000000000 0.55355921726946 18.998 > 33 37 F 0.01959307551529 0.75000000000000 0.30355921726946 18.998 > 37 38 F 0.51959307551529 0.75000000000000 0.30355921726946 18.998 > 37 39 F 0.01959307551529 0.75000000000000 0.80355921726946 18.998 > 37 40 F 0.51959307551529 0.75000000000000 0.80355921726946 18.998 > 37 41 F 0.48040692448471 0.25000000000000 0.19644078273054 18.998 > 41 42 F 0.98040692448471 0.25000000000000 0.19644078273054 18.998 > 41 43 F 0.48040692448471 0.25000000000000 0.69644078273054 18.998 > 41 44 F 0.98040692448471 0.25000000000000 0.69644078273054 18.998 > 41 45 F 0.26959307551529 0.75000000000000 0.44644078273054 18.998 > 45 46 F 0.76959307551529 0.75000000000000 0.44644078273054 18.998 > 45 47 F 0.26959307551529 0.75000000000000 0.94644078273054 18.998 > 45 48 F 0.76959307551529 0.75000000000000 0.94644078273054 18.998 > 45 49 Na 0.47066766841661 0.75000000000000 0.00833180190136 22.990 > 49 50 Na 0.97066766841661 0.75000000000000 0.00833180190136 22.990 > 49 51 Na 0.47066766841661 0.75000000000000 0.50833180190136 22.990 > 49 52 Na 0.97066766841661 0.75000000000000 0.50833180190136 22.990 > 49 53 Na 0.27933233158339 0.25000000000000 0.25833180190137 22.990 > 53 54 Na 0.77933233158339 0.25000000000000 0.25833180190137 22.990 > 53 55 Na 0.27933233158339 0.25000000000000 0.75833180190136 22.990 > 53 56 Na 0.77933233158339 0.25000000000000 0.75833180190136 22.990 > 53 57 Na 0.22066766841661 0.75000000000000 0.24166819809863 22.990 > 57 58 Na 0.72066766841661 0.75000000000000 0.24166819809863 22.990 > 57 59 Na 0.22066766841661 0.75000000000000 0.74166819809864 22.990 > 57 60 Na 0.72066766841661 0.75000000000000 0.74166819809864 22.990 > 57 61 Na 0.02933233158339 0.25000000000000 0.49166819809863 22.990 > 61 62 Na 0.52933233158339 0.25000000000000 0.49166819809863 22.990 > 61 63 Na 0.02933233158339 0.25000000000000 0.99166819809864 22.990 > 61 64 Na 0.52933233158339 0.25000000000000 0.99166819809864 22.990 > 61 65 Zn 0.00000000000000 0.50000000000000 0.25000000000000 65.380 > 65 66 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 65 67 Zn 0.00000000000000 0.50000000000000 0.75000000000000 65.380 > 65 68 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 65 69 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 69 70 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 69 71 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 69 72 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 69 73 Zn 0.25000000000000 0.00000000000000 0.00000000000000 65.380 > 73 74 Zn 0.75000000000000 0.00000000000000 0.00000000000000 65.380 > 73 75 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 73 76 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 73 77 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 77 78 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 77 79 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 77 80 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3155029 0.0000000 0.0000000 0.0000000 2.3120704 0.0000000 0.0000000 0.0000000 2.3076646 -------------------------- Born effective charges -------------------------- 1 F -1.2546237 0.0226962 -0.3674073 0.0263936 -0.8663740 0.0055994 -0.3641900 0.0010095 -1.2043529 2 F -1.2546237 0.0226962 0.3674073 0.0263936 -0.8663740 -0.0055994 0.3641900 -0.0010095 -1.2043529 3 F -1.2546237 -0.0226962 0.3674073 -0.0263936 -0.8663740 0.0055994 0.3641900 0.0010095 -1.2043529 4 F -1.2546237 -0.0226962 -0.3674073 -0.0263936 -0.8663740 -0.0055994 -0.3641900 -0.0010095 -1.2043529 5 F -1.2546237 0.0226962 -0.3674073 0.0263936 -0.8663740 0.0055994 -0.3641900 0.0010095 -1.2043529 6 F -1.2546237 0.0226962 0.3674073 0.0263936 -0.8663740 -0.0055994 0.3641900 -0.0010095 -1.2043529 7 F -1.2546237 -0.0226962 0.3674073 -0.0263936 -0.8663740 0.0055994 0.3641900 0.0010095 -1.2043529 8 F -1.2546237 -0.0226962 -0.3674073 -0.0263936 -0.8663740 -0.0055994 -0.3641900 -0.0010095 -1.2043529 9 F -0.8211794 0.0000000 -0.0283243 0.0000000 -1.5905094 0.0000000 0.0221859 0.0000000 -0.8947051 10 F -0.8211794 0.0000000 0.0283243 0.0000000 -1.5905094 0.0000000 -0.0221859 0.0000000 -0.8947051 11 F -0.8211794 0.0000000 0.0283243 0.0000000 -1.5905094 0.0000000 -0.0221859 0.0000000 -0.8947051 12 F -0.8211794 0.0000000 -0.0283243 0.0000000 -1.5905094 0.0000000 0.0221859 0.0000000 -0.8947051 13 Na 1.0781832 0.0000000 0.0347350 0.0000000 1.0902429 0.0000000 0.0127469 0.0000000 1.0805672 14 Na 1.0781832 0.0000000 -0.0347350 0.0000000 1.0902429 0.0000000 -0.0127469 0.0000000 1.0805672 15 Na 1.0781832 0.0000000 -0.0347350 0.0000000 1.0902429 0.0000000 -0.0127469 0.0000000 1.0805672 16 Na 1.0781832 0.0000000 0.0347350 0.0000000 1.0902429 0.0000000 0.0127469 0.0000000 1.0805672 17 Zn 2.2522436 0.0153202 -0.0852595 0.0504896 2.2330145 0.1069685 0.0868279 -0.1299905 2.2228436 18 Zn 2.2522436 0.0153202 0.0852595 0.0504896 2.2330145 -0.1069685 -0.0868279 0.1299905 2.2228436 19 Zn 2.2522436 -0.0153202 0.0852595 -0.0504896 2.2330145 0.1069685 -0.0868279 -0.1299905 2.2228436 20 Zn 2.2522436 -0.0153202 -0.0852595 -0.0504896 2.2330145 -0.1069685 0.0868279 0.1299905 2.2228436 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:48:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:48:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.602910680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.759075210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.401082340000000 Atomic positions (fractional): 1 F 0.29967129721428 0.44387000477183 0.69635737525479 18.998 2 F 0.20032870278572 0.55612999522817 0.19635737525479 18.998 3 F 0.79967129721428 0.05612999522817 0.80364262474521 18.998 4 F 0.70032870278572 0.94387000477183 0.30364262474521 18.998 5 F 0.70032870278572 0.55612999522817 0.30364262474521 18.998 6 F 0.79967129721428 0.44387000477183 0.80364262474521 18.998 7 F 0.20032870278572 0.94387000477183 0.19635737525479 18.998 8 F 0.29967129721428 0.05612999522817 0.69635737525479 18.998 9 F 0.46081384896941 0.25000000000000 0.10711843453891 18.998 10 F 0.03918615103059 0.75000000000000 0.60711843453892 18.998 11 F 0.96081384896941 0.25000000000000 0.39288156546108 18.998 12 F 0.53918615103059 0.75000000000000 0.89288156546108 18.998 13 Na 0.94133533683323 0.75000000000000 0.01666360380273 22.990 14 Na 0.55866466316677 0.25000000000000 0.51666360380273 22.990 15 Na 0.44133533683323 0.75000000000000 0.48333639619727 22.990 16 Na 0.05866466316677 0.25000000000000 0.98333639619727 22.990 17 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 18 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 19 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 20 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.205821360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.759075210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.802164680000001 Atomic positions (fractional): 1 F 0.14983564860714 0.44387000477183 0.34817868762739 18.998 > 1 2 F 0.64983564860714 0.44387000477183 0.34817868762739 18.998 > 1 3 F 0.14983564860714 0.44387000477183 0.84817868762739 18.998 > 1 4 F 0.64983564860714 0.44387000477183 0.84817868762739 18.998 > 1 5 F 0.10016435139286 0.55612999522817 0.09817868762739 18.998 > 5 6 F 0.60016435139286 0.55612999522817 0.09817868762739 18.998 > 5 7 F 0.10016435139286 0.55612999522817 0.59817868762739 18.998 > 5 8 F 0.60016435139286 0.55612999522817 0.59817868762739 18.998 > 5 9 F 0.39983564860714 0.05612999522817 0.40182131237261 18.998 > 9 10 F 0.89983564860714 0.05612999522817 0.40182131237261 18.998 > 9 11 F 0.39983564860714 0.05612999522817 0.90182131237261 18.998 > 9 12 F 0.89983564860714 0.05612999522817 0.90182131237261 18.998 > 9 13 F 0.35016435139286 0.94387000477183 0.15182131237261 18.998 > 13 14 F 0.85016435139286 0.94387000477183 0.15182131237261 18.998 > 13 15 F 0.35016435139286 0.94387000477183 0.65182131237261 18.998 > 13 16 F 0.85016435139286 0.94387000477183 0.65182131237261 18.998 > 13 17 F 0.35016435139286 0.55612999522817 0.15182131237261 18.998 > 17 18 F 0.85016435139286 0.55612999522817 0.15182131237261 18.998 > 17 19 F 0.35016435139286 0.55612999522817 0.65182131237261 18.998 > 17 20 F 0.85016435139286 0.55612999522817 0.65182131237261 18.998 > 17 21 F 0.39983564860714 0.44387000477183 0.40182131237261 18.998 > 21 22 F 0.89983564860714 0.44387000477183 0.40182131237261 18.998 > 21 23 F 0.39983564860714 0.44387000477183 0.90182131237261 18.998 > 21 24 F 0.89983564860714 0.44387000477183 0.90182131237261 18.998 > 21 25 F 0.10016435139286 0.94387000477183 0.09817868762739 18.998 > 25 26 F 0.60016435139286 0.94387000477183 0.09817868762739 18.998 > 25 27 F 0.10016435139286 0.94387000477183 0.59817868762739 18.998 > 25 28 F 0.60016435139286 0.94387000477183 0.59817868762739 18.998 > 25 29 F 0.14983564860714 0.05612999522817 0.34817868762739 18.998 > 29 30 F 0.64983564860714 0.05612999522817 0.34817868762739 18.998 > 29 31 F 0.14983564860714 0.05612999522817 0.84817868762739 18.998 > 29 32 F 0.64983564860714 0.05612999522817 0.84817868762739 18.998 > 29 33 F 0.23040692448471 0.25000000000000 0.05355921726946 18.998 > 33 34 F 0.73040692448471 0.25000000000000 0.05355921726946 18.998 > 33 35 F 0.23040692448471 0.25000000000000 0.55355921726946 18.998 > 33 36 F 0.73040692448471 0.25000000000000 0.55355921726946 18.998 > 33 37 F 0.01959307551529 0.75000000000000 0.30355921726946 18.998 > 37 38 F 0.51959307551529 0.75000000000000 0.30355921726946 18.998 > 37 39 F 0.01959307551529 0.75000000000000 0.80355921726946 18.998 > 37 40 F 0.51959307551529 0.75000000000000 0.80355921726946 18.998 > 37 41 F 0.48040692448471 0.25000000000000 0.19644078273054 18.998 > 41 42 F 0.98040692448471 0.25000000000000 0.19644078273054 18.998 > 41 43 F 0.48040692448471 0.25000000000000 0.69644078273054 18.998 > 41 44 F 0.98040692448471 0.25000000000000 0.69644078273054 18.998 > 41 45 F 0.26959307551529 0.75000000000000 0.44644078273054 18.998 > 45 46 F 0.76959307551529 0.75000000000000 0.44644078273054 18.998 > 45 47 F 0.26959307551529 0.75000000000000 0.94644078273054 18.998 > 45 48 F 0.76959307551529 0.75000000000000 0.94644078273054 18.998 > 45 49 Na 0.47066766841661 0.75000000000000 0.00833180190136 22.990 > 49 50 Na 0.97066766841661 0.75000000000000 0.00833180190136 22.990 > 49 51 Na 0.47066766841661 0.75000000000000 0.50833180190136 22.990 > 49 52 Na 0.97066766841661 0.75000000000000 0.50833180190136 22.990 > 49 53 Na 0.27933233158339 0.25000000000000 0.25833180190137 22.990 > 53 54 Na 0.77933233158339 0.25000000000000 0.25833180190137 22.990 > 53 55 Na 0.27933233158339 0.25000000000000 0.75833180190136 22.990 > 53 56 Na 0.77933233158339 0.25000000000000 0.75833180190136 22.990 > 53 57 Na 0.22066766841661 0.75000000000000 0.24166819809863 22.990 > 57 58 Na 0.72066766841661 0.75000000000000 0.24166819809863 22.990 > 57 59 Na 0.22066766841661 0.75000000000000 0.74166819809864 22.990 > 57 60 Na 0.72066766841661 0.75000000000000 0.74166819809864 22.990 > 57 61 Na 0.02933233158339 0.25000000000000 0.49166819809863 22.990 > 61 62 Na 0.52933233158339 0.25000000000000 0.49166819809863 22.990 > 61 63 Na 0.02933233158339 0.25000000000000 0.99166819809864 22.990 > 61 64 Na 0.52933233158339 0.25000000000000 0.99166819809864 22.990 > 61 65 Zn 0.00000000000000 0.50000000000000 0.25000000000000 65.380 > 65 66 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 65 67 Zn 0.00000000000000 0.50000000000000 0.75000000000000 65.380 > 65 68 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 65 69 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 69 70 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 69 71 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 69 72 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 69 73 Zn 0.25000000000000 0.00000000000000 0.00000000000000 65.380 > 73 74 Zn 0.75000000000000 0.00000000000000 0.00000000000000 65.380 > 73 75 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 73 76 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 73 77 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 77 78 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 77 79 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 77 80 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3155029 0.0000000 0.0000000 0.0000000 2.3120704 0.0000000 0.0000000 0.0000000 2.3076646 -------------------------- Born effective charges -------------------------- 1 F -1.2546237 0.0226962 -0.3674073 0.0263936 -0.8663740 0.0055994 -0.3641900 0.0010095 -1.2043529 2 F -1.2546237 0.0226962 0.3674073 0.0263936 -0.8663740 -0.0055994 0.3641900 -0.0010095 -1.2043529 3 F -1.2546237 -0.0226962 0.3674073 -0.0263936 -0.8663740 0.0055994 0.3641900 0.0010095 -1.2043529 4 F -1.2546237 -0.0226962 -0.3674073 -0.0263936 -0.8663740 -0.0055994 -0.3641900 -0.0010095 -1.2043529 5 F -1.2546237 0.0226962 -0.3674073 0.0263936 -0.8663740 0.0055994 -0.3641900 0.0010095 -1.2043529 6 F -1.2546237 0.0226962 0.3674073 0.0263936 -0.8663740 -0.0055994 0.3641900 -0.0010095 -1.2043529 7 F -1.2546237 -0.0226962 0.3674073 -0.0263936 -0.8663740 0.0055994 0.3641900 0.0010095 -1.2043529 8 F -1.2546237 -0.0226962 -0.3674073 -0.0263936 -0.8663740 -0.0055994 -0.3641900 -0.0010095 -1.2043529 9 F -0.8211794 0.0000000 -0.0283243 0.0000000 -1.5905094 0.0000000 0.0221859 0.0000000 -0.8947051 10 F -0.8211794 0.0000000 0.0283243 0.0000000 -1.5905094 0.0000000 -0.0221859 0.0000000 -0.8947051 11 F -0.8211794 0.0000000 0.0283243 0.0000000 -1.5905094 0.0000000 -0.0221859 0.0000000 -0.8947051 12 F -0.8211794 0.0000000 -0.0283243 0.0000000 -1.5905094 0.0000000 0.0221859 0.0000000 -0.8947051 13 Na 1.0781832 0.0000000 0.0347350 0.0000000 1.0902429 0.0000000 0.0127469 0.0000000 1.0805672 14 Na 1.0781832 0.0000000 -0.0347350 0.0000000 1.0902429 0.0000000 -0.0127469 0.0000000 1.0805672 15 Na 1.0781832 0.0000000 -0.0347350 0.0000000 1.0902429 0.0000000 -0.0127469 0.0000000 1.0805672 16 Na 1.0781832 0.0000000 0.0347350 0.0000000 1.0902429 0.0000000 0.0127469 0.0000000 1.0805672 17 Zn 2.2522436 0.0153202 -0.0852595 0.0504896 2.2330145 0.1069685 0.0868279 -0.1299905 2.2228436 18 Zn 2.2522436 0.0153202 0.0852595 0.0504896 2.2330145 -0.1069685 -0.0868279 0.1299905 2.2228436 19 Zn 2.2522436 -0.0153202 0.0852595 -0.0504896 2.2330145 0.1069685 -0.0868279 -0.1299905 2.2228436 20 Zn 2.2522436 -0.0153202 -0.0852595 -0.0504896 2.2330145 -0.1069685 0.0868279 0.1299905 2.2228436 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 315, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.919 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 7.985 ( 0.000 0.000 0.000) 0.000 8.004 ( 0.000 0.000 0.000) 0.000 8.110 ( 0.000 0.000 0.000) 0.000 8.151 ( 0.000 0.000 0.000) 0.000 8.227 ( 0.000 0.000 0.000) 0.000 8.247 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 8.850 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 11.877 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.308 ( 0.000 0.000 0.000) 0.000 12.344 ( 0.000 0.000 0.000) 0.000 12.607 ( 0.000 0.000 0.000) 0.000 13.205 ( 0.000 0.000 0.000) 0.000 14.141 ( 0.000 0.000 0.000) 0.000 14.868 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 27.945 0.000 0.000) 27.945 0.588 ( 29.101 0.000 0.000) 29.101 1.116 ( 55.443 0.000 0.000) 55.443 2.161 ( 7.536 0.000 0.000) 7.536 2.252 ( 15.593 0.000 0.000) 15.593 2.907 ( 2.574 0.000 0.000) 2.574 3.192 ( -6.882 0.000 0.000) 6.882 3.321 ( -14.195 0.000 0.000) 14.195 3.482 ( -9.498 0.000 0.000) 9.498 3.500 ( -10.095 0.000 0.000) 10.095 3.541 ( -3.465 0.000 0.000) 3.465 3.741 ( 1.612 0.000 0.000) 1.612 4.042 ( 3.558 0.000 0.000) 3.558 4.053 ( -10.088 0.000 0.000) 10.088 4.095 ( 6.738 0.000 0.000) 6.738 4.176 ( -0.652 0.000 0.000) 0.652 4.331 ( 0.798 0.000 0.000) 0.798 4.581 ( 5.734 0.000 0.000) 5.734 4.628 ( -19.074 0.000 0.000) 19.074 5.029 ( 1.851 0.000 0.000) 1.851 5.089 ( 8.913 0.000 0.000) 8.913 5.282 ( -3.227 0.000 0.000) 3.227 5.316 ( -2.917 0.000 0.000) 2.917 5.366 ( 13.442 0.000 0.000) 13.442 5.566 ( -15.130 0.000 0.000) 15.130 5.644 ( -10.110 0.000 0.000) 10.110 5.705 ( 17.847 0.000 0.000) 17.847 6.180 ( 1.554 0.000 0.000) 1.554 6.183 ( 0.634 0.000 0.000) 0.634 6.198 ( 14.523 0.000 0.000) 14.523 6.198 ( 10.721 0.000 0.000) 10.721 6.599 ( 1.249 0.000 0.000) 1.249 6.746 ( -2.626 0.000 0.000) 2.626 6.850 ( 2.239 0.000 0.000) 2.239 7.370 ( -4.545 0.000 0.000) 4.545 7.477 ( -1.188 0.000 0.000) 1.188 7.751 ( -10.768 0.000 0.000) 10.768 7.817 ( -9.968 0.000 0.000) 9.968 7.930 ( -9.650 0.000 0.000) 9.650 8.068 ( 3.928 0.000 0.000) 3.928 8.101 ( -1.896 0.000 0.000) 1.896 8.141 ( 2.615 0.000 0.000) 2.615 8.216 ( -1.782 0.000 0.000) 1.782 8.355 ( 10.614 0.000 0.000) 10.614 8.546 ( 22.848 0.000 0.000) 22.848 8.710 ( -1.858 0.000 0.000) 1.858 8.844 ( 5.451 0.000 0.000) 5.451 8.919 ( 8.648 0.000 0.000) 8.648 8.959 ( -3.027 0.000 0.000) 3.027 8.987 ( 8.401 0.000 0.000) 8.401 10.258 ( -3.457 0.000 0.000) 3.457 11.628 ( -22.895 0.000 0.000) 22.895 11.852 ( 0.354 0.000 0.000) 0.354 12.252 ( -3.230 0.000 0.000) 3.230 12.268 ( -7.566 0.000 0.000) 7.566 12.527 ( -8.054 0.000 0.000) 8.054 13.438 ( 19.033 0.000 0.000) 19.033 14.163 ( 2.226 0.000 0.000) 2.226 14.777 ( -1.789 0.000 0.000) 1.789 14.859 ( -0.949 0.000 0.000) 0.949 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 26.262 0.000 0.000) 26.262 1.145 ( 26.796 0.000 0.000) 26.796 2.173 ( 49.755 0.000 0.000) 49.755 2.351 ( 10.714 0.000 0.000) 10.714 2.625 ( 19.518 0.000 0.000) 19.518 2.921 ( -16.218 0.000 0.000) 16.218 2.950 ( 0.974 0.000 0.000) 0.974 3.010 ( -16.687 0.000 0.000) 16.687 3.293 ( -8.660 0.000 0.000) 8.660 3.447 ( -5.367 0.000 0.000) 5.367 3.455 ( 4.096 0.000 0.000) 4.096 3.676 ( -8.158 0.000 0.000) 8.158 3.850 ( -8.596 0.000 0.000) 8.596 4.048 ( -2.735 0.000 0.000) 2.735 4.176 ( 2.017 0.000 0.000) 2.017 4.260 ( -16.578 0.000 0.000) 16.578 4.270 ( 8.754 0.000 0.000) 8.754 4.401 ( 5.607 0.000 0.000) 5.607 4.649 ( -2.974 0.000 0.000) 2.974 4.965 ( -6.525 0.000 0.000) 6.525 5.125 ( -6.268 0.000 0.000) 6.268 5.200 ( -0.812 0.000 0.000) 0.812 5.312 ( -9.628 0.000 0.000) 9.628 5.349 ( 8.594 0.000 0.000) 8.594 5.633 ( 5.790 0.000 0.000) 5.790 5.676 ( 12.370 0.000 0.000) 12.370 6.039 ( 14.699 0.000 0.000) 14.699 6.204 ( 1.652 0.000 0.000) 1.652 6.262 ( 8.340 0.000 0.000) 8.340 6.362 ( 6.028 0.000 0.000) 6.028 6.448 ( 10.481 0.000 0.000) 10.481 6.631 ( 1.836 0.000 0.000) 1.836 6.682 ( -4.534 0.000 0.000) 4.534 6.870 ( -0.547 0.000 0.000) 0.547 7.247 ( -7.049 0.000 0.000) 7.049 7.465 ( -0.515 0.000 0.000) 0.515 7.571 ( -6.869 0.000 0.000) 6.869 7.602 ( -11.448 0.000 0.000) 11.448 7.645 ( -15.651 0.000 0.000) 15.651 8.034 ( -4.851 0.000 0.000) 4.851 8.097 ( -0.778 0.000 0.000) 0.778 8.177 ( -1.641 0.000 0.000) 1.641 8.249 ( 5.152 0.000 0.000) 5.152 8.606 ( 14.668 0.000 0.000) 14.668 8.734 ( 4.769 0.000 0.000) 4.769 8.786 ( -9.048 0.000 0.000) 9.048 8.974 ( 4.680 0.000 0.000) 4.680 9.081 ( 30.499 0.000 0.000) 30.499 9.135 ( 6.326 0.000 0.000) 6.326 9.295 ( 24.907 0.000 0.000) 24.907 10.169 ( -4.688 0.000 0.000) 4.688 11.081 ( -30.307 0.000 0.000) 30.307 11.837 ( -3.977 0.000 0.000) 3.977 12.069 ( -10.366 0.000 0.000) 10.366 12.198 ( -2.574 0.000 0.000) 2.574 12.289 ( -15.885 0.000 0.000) 15.885 13.836 ( 19.695 0.000 0.000) 19.695 14.226 ( 4.049 0.000 0.000) 4.049 14.725 ( -3.406 0.000 0.000) 3.406 14.828 ( -2.294 0.000 0.000) 2.294 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 22.301 0.000 0.000) 22.301 1.646 ( 23.700 0.000 0.000) 23.700 2.515 ( 0.210 0.000 0.000) 0.210 2.677 ( -6.640 0.000 0.000) 6.640 2.713 ( -8.032 0.000 0.000) 8.032 2.728 ( -5.366 0.000 0.000) 5.366 2.928 ( 9.464 0.000 0.000) 9.464 3.165 ( -3.812 0.000 0.000) 3.812 3.188 ( 26.707 0.000 0.000) 26.707 3.376 ( 3.914 0.000 0.000) 3.914 3.439 ( -14.731 0.000 0.000) 14.731 3.634 ( 13.977 0.000 0.000) 13.977 3.775 ( 2.503 0.000 0.000) 2.503 3.963 ( -5.282 0.000 0.000) 5.282 4.009 ( -7.595 0.000 0.000) 7.595 4.243 ( 3.988 0.000 0.000) 3.988 4.395 ( 2.769 0.000 0.000) 2.769 4.415 ( -16.184 0.000 0.000) 16.184 4.507 ( 3.309 0.000 0.000) 3.309 4.806 ( -9.032 0.000 0.000) 9.032 5.151 ( 5.316 0.000 0.000) 5.316 5.177 ( -0.412 0.000 0.000) 0.412 5.222 ( 1.437 0.000 0.000) 1.437 5.513 ( 6.527 0.000 0.000) 6.527 5.752 ( 4.047 0.000 0.000) 4.047 5.753 ( -3.648 0.000 0.000) 3.648 6.252 ( 4.069 0.000 0.000) 4.069 6.273 ( 7.937 0.000 0.000) 7.937 6.444 ( 2.268 0.000 0.000) 2.268 6.529 ( -10.798 0.000 0.000) 10.798 6.530 ( 16.752 0.000 0.000) 16.752 6.609 ( 5.834 0.000 0.000) 5.834 6.668 ( 1.777 0.000 0.000) 1.777 6.846 ( -0.687 0.000 0.000) 0.687 7.105 ( -7.174 0.000 0.000) 7.174 7.369 ( -12.041 0.000 0.000) 12.041 7.412 ( -6.507 0.000 0.000) 6.507 7.447 ( -1.351 0.000 0.000) 1.351 7.496 ( -0.296 0.000 0.000) 0.296 7.907 ( -7.866 0.000 0.000) 7.866 8.071 ( -1.092 0.000 0.000) 1.092 8.141 ( -1.884 0.000 0.000) 1.884 8.306 ( 0.911 0.000 0.000) 0.911 8.588 ( -10.158 0.000 0.000) 10.158 8.898 ( 10.486 0.000 0.000) 10.486 8.941 ( 19.200 0.000 0.000) 19.200 9.058 ( 3.504 0.000 0.000) 3.504 9.244 ( 5.180 0.000 0.000) 5.180 9.697 ( 6.563 0.000 0.000) 6.563 9.730 ( 34.219 0.000 0.000) 34.219 10.213 ( 16.904 0.000 0.000) 16.904 10.471 ( -30.542 0.000 0.000) 30.542 11.565 ( -21.940 0.000 0.000) 21.940 11.900 ( -23.186 0.000 0.000) 23.186 11.989 ( 0.814 0.000 0.000) 0.814 12.144 ( -2.827 0.000 0.000) 2.827 14.191 ( 15.889 0.000 0.000) 15.889 14.319 ( 5.246 0.000 0.000) 5.246 14.644 ( -4.697 0.000 0.000) 4.697 14.763 ( -4.386 0.000 0.000) 4.386 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 16.642 0.000 0.000) 16.642 2.085 ( 20.605 0.000 0.000) 20.605 2.282 ( -15.478 0.000 0.000) 15.478 2.463 ( -17.338 0.000 0.000) 17.338 2.679 ( 5.544 0.000 0.000) 5.544 2.746 ( 1.886 0.000 0.000) 1.886 3.023 ( 2.331 0.000 0.000) 2.331 3.148 ( 1.958 0.000 0.000) 1.958 3.149 ( -12.321 0.000 0.000) 12.321 3.223 ( -4.749 0.000 0.000) 4.749 3.714 ( 9.546 0.000 0.000) 9.546 3.850 ( -5.943 0.000 0.000) 5.943 3.913 ( 5.639 0.000 0.000) 5.639 3.956 ( 16.489 0.000 0.000) 16.489 4.104 ( -13.583 0.000 0.000) 13.583 4.144 ( 23.526 0.000 0.000) 23.526 4.223 ( -8.714 0.000 0.000) 8.714 4.456 ( 6.405 0.000 0.000) 6.405 4.484 ( -7.849 0.000 0.000) 7.849 4.621 ( -9.305 0.000 0.000) 9.305 5.192 ( 1.929 0.000 0.000) 1.929 5.222 ( 0.615 0.000 0.000) 0.615 5.361 ( 11.037 0.000 0.000) 11.037 5.594 ( -11.124 0.000 0.000) 11.124 5.610 ( 4.176 0.000 0.000) 4.176 5.722 ( -6.441 0.000 0.000) 6.441 6.317 ( 2.325 0.000 0.000) 2.325 6.361 ( -3.992 0.000 0.000) 3.992 6.395 ( 4.474 0.000 0.000) 4.474 6.454 ( -1.272 0.000 0.000) 1.272 6.684 ( 1.887 0.000 0.000) 1.887 6.693 ( 0.714 0.000 0.000) 0.714 6.854 ( 14.957 0.000 0.000) 14.957 6.868 ( 3.100 0.000 0.000) 3.100 6.967 ( -6.460 0.000 0.000) 6.460 7.125 ( -12.701 0.000 0.000) 12.701 7.370 ( 0.993 0.000 0.000) 0.993 7.410 ( -2.299 0.000 0.000) 2.299 7.562 ( 6.656 0.000 0.000) 6.656 7.731 ( -9.436 0.000 0.000) 9.436 8.070 ( 1.061 0.000 0.000) 1.061 8.103 ( -1.956 0.000 0.000) 1.956 8.325 ( 2.004 0.000 0.000) 2.004 8.412 ( -6.953 0.000 0.000) 6.953 9.070 ( 5.199 0.000 0.000) 5.199 9.104 ( 0.869 0.000 0.000) 0.869 9.369 ( 23.952 0.000 0.000) 23.952 9.381 ( 9.537 0.000 0.000) 9.537 9.597 ( -10.646 0.000 0.000) 10.646 9.886 ( -27.960 0.000 0.000) 27.960 10.412 ( 33.719 0.000 0.000) 33.719 10.762 ( 31.913 0.000 0.000) 31.913 11.046 ( -29.616 0.000 0.000) 29.616 11.377 ( -29.221 0.000 0.000) 29.221 12.029 ( 2.675 0.000 0.000) 2.675 12.086 ( -2.987 0.000 0.000) 2.987 14.429 ( 5.730 0.000 0.000) 5.730 14.462 ( 11.418 0.000 0.000) 11.418 14.542 ( -5.516 0.000 0.000) 5.516 14.648 ( -7.441 0.000 0.000) 7.441 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.000 24.965 0.000) 24.965 0.611 ( 0.000 28.049 0.000) 28.049 1.136 ( 0.000 51.796 0.000) 51.796 2.042 ( 0.000 -4.328 0.000) 4.328 2.508 ( 0.000 -11.537 0.000) 11.537 2.794 ( 0.000 -6.942 0.000) 6.942 2.932 ( 0.000 -15.608 0.000) 15.608 3.456 ( 0.000 -7.011 0.000) 7.011 3.646 ( 0.000 13.340 0.000) 13.340 3.660 ( 0.000 4.394 0.000) 4.394 3.713 ( 0.000 -6.772 0.000) 6.772 3.850 ( 0.000 10.442 0.000) 10.442 3.951 ( 0.000 -2.068 0.000) 2.068 4.089 ( 0.000 -1.477 0.000) 1.477 4.288 ( 0.000 -4.162 0.000) 4.162 4.382 ( 0.000 10.224 0.000) 10.224 4.502 ( 0.000 18.185 0.000) 18.185 4.540 ( 0.000 -15.029 0.000) 15.029 4.669 ( 0.000 10.713 0.000) 10.713 4.863 ( 0.000 -3.062 0.000) 3.062 5.017 ( 0.000 4.234 0.000) 4.234 5.232 ( 0.000 -5.114 0.000) 5.114 5.265 ( 0.000 -5.026 0.000) 5.026 5.405 ( 0.000 -3.819 0.000) 3.819 5.561 ( 0.000 -14.957 0.000) 14.957 5.796 ( 0.000 -6.466 0.000) 6.466 5.871 ( 0.000 3.949 0.000) 3.949 5.924 ( 0.000 -2.657 0.000) 2.657 6.047 ( 0.000 -4.573 0.000) 4.573 6.222 ( 0.000 11.178 0.000) 11.178 6.530 ( 0.000 -2.352 0.000) 2.352 6.715 ( 0.000 -6.933 0.000) 6.933 6.857 ( 0.000 9.820 0.000) 9.820 6.876 ( 0.000 7.544 0.000) 7.544 6.893 ( 0.000 10.838 0.000) 10.838 7.415 ( 0.000 0.565 0.000) 0.565 7.482 ( 0.000 -2.062 0.000) 2.062 7.867 ( 0.000 -5.482 0.000) 5.482 7.939 ( 0.000 -8.445 0.000) 8.445 7.957 ( 0.000 0.475 0.000) 0.475 7.993 ( 0.000 -0.567 0.000) 0.567 8.225 ( 0.000 5.112 0.000) 5.112 8.237 ( 0.000 -0.684 0.000) 0.684 8.276 ( 0.000 1.668 0.000) 1.668 8.514 ( 0.000 9.445 0.000) 9.445 8.732 ( 0.000 -3.902 0.000) 3.902 8.820 ( 0.000 -2.771 0.000) 2.771 8.864 ( 0.000 14.041 0.000) 14.041 8.899 ( 0.000 -7.648 0.000) 7.648 9.540 ( 0.000 2.970 0.000) 2.970 10.004 ( 0.000 -6.117 0.000) 6.117 11.593 ( 0.000 -22.797 0.000) 22.797 11.980 ( 0.000 1.391 0.000) 1.391 12.181 ( 0.000 -1.587 0.000) 1.587 12.334 ( 0.000 0.208 0.000) 0.208 12.582 ( 0.000 -2.202 0.000) 2.202 13.336 ( 0.000 11.416 0.000) 11.416 14.280 ( 0.000 11.121 0.000) 11.121 14.525 ( 0.000 -6.599 0.000) 6.599 14.864 ( 0.000 -0.569 0.000) 0.569 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 20.020 15.818 0.000) 25.515 0.857 ( 19.026 21.329 0.000) 28.581 1.557 ( 37.004 35.115 0.000) 51.013 2.113 ( 6.819 -4.938 0.000) 8.420 2.450 ( 0.881 -0.230 0.000) 0.911 2.802 ( 2.595 -8.464 0.000) 8.853 2.939 ( -1.669 -15.592 0.000) 15.681 3.350 ( -9.388 -2.899 0.000) 9.825 3.475 ( -13.591 5.437 0.000) 14.638 3.664 ( -6.884 8.941 0.000) 11.284 3.753 ( 1.386 -4.357 0.000) 4.572 3.783 ( -11.547 13.064 0.000) 17.435 3.826 ( -0.571 -6.434 0.000) 6.459 4.086 ( 7.703 4.932 0.000) 9.147 4.138 ( -17.731 6.553 0.000) 18.903 4.285 ( -0.261 -1.811 0.000) 1.829 4.506 ( -14.170 -7.140 0.000) 15.867 4.542 ( 3.707 17.054 0.000) 17.452 4.675 ( 0.020 7.471 0.000) 7.471 4.879 ( 6.264 -9.179 0.000) 11.113 5.091 ( -3.931 0.117 0.000) 3.933 5.155 ( -7.037 -8.986 0.000) 11.414 5.209 ( 11.207 0.067 0.000) 11.208 5.480 ( 0.982 -3.424 0.000) 3.562 5.550 ( 9.367 -4.953 0.000) 10.596 5.770 ( -11.803 4.751 0.000) 12.723 5.905 ( 0.689 -12.036 0.000) 12.056 5.927 ( 4.537 20.008 0.000) 20.516 6.055 ( 16.314 -7.988 0.000) 18.165 6.284 ( 3.955 3.091 0.000) 5.020 6.511 ( -0.861 13.920 0.000) 13.947 6.713 ( -0.284 -4.770 0.000) 4.778 6.714 ( -0.085 9.447 0.000) 9.447 6.889 ( 0.922 5.410 0.000) 5.488 7.325 ( 4.687 -9.148 0.000) 10.278 7.384 ( -2.271 -5.341 0.000) 5.804 7.487 ( 3.023 -3.642 0.000) 4.733 7.781 ( -7.307 -2.117 0.000) 7.608 7.840 ( -10.168 -7.989 0.000) 12.931 8.012 ( 3.695 -4.020 0.000) 5.460 8.105 ( 7.501 -0.649 0.000) 7.529 8.147 ( -4.347 2.346 0.000) 4.940 8.238 ( -0.904 2.577 0.000) 2.731 8.467 ( 19.051 0.020 0.000) 19.051 8.581 ( 5.067 5.917 0.000) 7.790 8.769 ( 0.707 8.414 0.000) 8.444 8.832 ( -2.257 -6.843 0.000) 7.205 8.865 ( 9.844 -4.364 0.000) 10.768 9.002 ( 8.403 5.591 0.000) 10.093 9.272 ( -12.047 15.988 0.000) 20.019 10.094 ( 1.612 -10.954 0.000) 11.072 11.605 ( 1.208 -22.416 0.000) 22.449 11.689 ( -23.382 4.327 0.000) 23.779 12.109 ( -5.390 -7.452 0.000) 9.197 12.254 ( -8.088 0.101 0.000) 8.089 12.502 ( -8.041 -2.193 0.000) 8.335 13.549 ( 17.761 9.843 0.000) 20.306 14.299 ( 1.892 10.854 0.000) 11.017 14.672 ( 6.911 -7.841 0.000) 10.452 14.857 ( -0.752 -0.394 0.000) 0.849 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 22.331 6.864 0.000) 23.362 1.272 ( 21.920 14.251 0.000) 26.145 2.287 ( 9.958 -6.357 0.000) 11.814 2.360 ( 37.276 15.747 0.000) 40.465 2.573 ( 7.465 -7.583 0.000) 10.641 2.832 ( -2.420 -6.179 0.000) 6.636 2.917 ( 5.273 -6.844 0.000) 8.640 3.095 ( -15.717 6.376 0.000) 16.961 3.238 ( -9.491 -2.280 0.000) 9.762 3.442 ( -5.258 11.554 0.000) 12.694 3.681 ( -8.471 -1.119 0.000) 8.545 3.700 ( -7.843 1.509 0.000) 7.987 3.834 ( -0.464 -9.922 0.000) 9.933 3.864 ( -5.830 11.318 0.000) 12.732 4.175 ( 0.058 -3.423 0.000) 3.423 4.189 ( -14.011 -2.647 0.000) 14.259 4.302 ( 4.199 -1.448 0.000) 4.442 4.607 ( -3.723 4.325 0.000) 5.707 4.656 ( 3.972 14.522 0.000) 15.055 4.863 ( -7.904 -4.835 0.000) 9.266 5.109 ( 3.205 0.627 0.000) 3.266 5.135 ( 9.370 -11.517 0.000) 14.847 5.450 ( 7.155 3.311 0.000) 7.884 5.480 ( -8.417 11.752 0.000) 14.455 5.627 ( 4.880 -0.423 0.000) 4.898 5.683 ( 4.461 -0.760 0.000) 4.525 6.035 ( 10.910 -5.663 0.000) 12.292 6.100 ( 11.380 9.687 0.000) 14.944 6.335 ( 5.268 -2.355 0.000) 5.770 6.357 ( 9.221 -6.558 0.000) 11.315 6.502 ( 0.286 13.251 0.000) 13.254 6.691 ( -2.743 -1.879 0.000) 3.325 6.737 ( 1.888 7.701 0.000) 7.929 6.894 ( -0.768 2.907 0.000) 3.007 7.229 ( -7.257 -1.769 0.000) 7.469 7.374 ( -0.760 -6.172 0.000) 6.219 7.518 ( 0.020 -3.505 0.000) 3.505 7.578 ( -13.570 -6.236 0.000) 14.935 7.605 ( -10.311 0.793 0.000) 10.342 8.012 ( -4.363 -3.482 0.000) 5.582 8.131 ( 1.890 -3.083 0.000) 3.616 8.162 ( -1.347 2.703 0.000) 3.020 8.212 ( -1.404 1.296 0.000) 1.911 8.677 ( 5.442 0.878 0.000) 5.512 8.692 ( -8.951 -8.648 0.000) 12.447 8.885 ( 9.986 10.988 0.000) 14.848 8.888 ( 15.943 -2.347 0.000) 16.115 9.163 ( 7.749 6.761 0.000) 10.284 9.239 ( 16.190 6.558 0.000) 17.467 9.260 ( 21.595 -0.153 0.000) 21.595 10.067 ( -2.420 -8.192 0.000) 8.542 11.159 ( -28.644 6.405 0.000) 29.351 11.638 ( 1.852 -20.748 0.000) 20.830 12.017 ( -4.037 -13.337 0.000) 13.935 12.017 ( -15.593 -0.782 0.000) 15.612 12.264 ( -15.879 -2.182 0.000) 16.028 13.924 ( 18.636 7.880 0.000) 20.233 14.353 ( 3.460 10.104 0.000) 10.680 14.730 ( -0.154 -1.152 0.000) 1.162 14.832 ( -1.888 0.145 0.000) 1.893 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 19.891 0.237 0.000) 19.893 1.700 ( 20.627 9.642 0.000) 22.769 2.467 ( 6.088 -6.156 0.000) 8.658 2.541 ( -7.532 -12.041 0.000) 14.202 2.619 ( -2.695 -5.130 0.000) 5.795 2.788 ( -13.191 7.105 0.000) 14.982 2.998 ( 6.023 2.048 0.000) 6.362 3.092 ( -5.130 -4.586 0.000) 6.881 3.194 ( 13.251 -4.999 0.000) 14.162 3.437 ( -14.840 -1.116 0.000) 14.882 3.481 ( 7.085 8.775 0.000) 11.278 3.606 ( 9.242 -1.058 0.000) 9.302 3.788 ( -3.745 -8.143 0.000) 8.963 3.891 ( 7.691 15.232 0.000) 17.064 4.013 ( -2.444 2.953 0.000) 3.833 4.133 ( -3.399 -11.929 0.000) 12.404 4.407 ( 1.891 4.400 0.000) 4.790 4.520 ( -0.938 4.671 0.000) 4.765 4.715 ( -0.667 12.095 0.000) 12.113 4.717 ( -6.153 -5.804 0.000) 8.458 5.174 ( 2.085 8.677 0.000) 8.924 5.285 ( 4.671 -12.076 0.000) 12.948 5.396 ( 2.247 10.840 0.000) 11.070 5.490 ( -1.605 12.817 0.000) 12.917 5.755 ( 2.806 -1.353 0.000) 3.116 5.758 ( 5.220 0.795 0.000) 5.280 6.219 ( 6.199 -2.368 0.000) 6.636 6.306 ( 6.181 5.864 0.000) 8.521 6.366 ( 0.478 -5.499 0.000) 5.520 6.473 ( -5.412 -4.171 0.000) 6.833 6.580 ( 9.576 4.543 0.000) 10.599 6.635 ( 3.119 -0.524 0.000) 3.162 6.781 ( 2.471 8.212 0.000) 8.576 6.868 ( -1.243 1.933 0.000) 2.298 7.085 ( -7.114 -2.049 0.000) 7.403 7.371 ( -9.276 -0.151 0.000) 9.277 7.372 ( 0.884 -3.388 0.000) 3.501 7.405 ( -6.832 -0.312 0.000) 6.839 7.520 ( 0.737 -0.723 0.000) 1.032 7.891 ( -7.520 -1.920 0.000) 7.761 8.108 ( -2.872 2.314 0.000) 3.688 8.137 ( -1.194 -1.684 0.000) 2.065 8.193 ( -0.439 -6.480 0.000) 6.495 8.493 ( -10.413 -8.879 0.000) 13.685 8.821 ( 8.539 -1.137 0.000) 8.614 9.022 ( 2.344 -1.421 0.000) 2.741 9.115 ( 12.047 2.334 0.000) 12.271 9.331 ( 10.429 14.243 0.000) 17.653 9.626 ( 5.388 -6.124 0.000) 8.157 9.767 ( 32.586 3.124 0.000) 32.736 10.165 ( 18.762 -3.589 0.000) 19.102 10.594 ( -27.279 9.866 0.000) 29.009 11.573 ( -18.223 -0.743 0.000) 18.238 11.742 ( -2.109 -19.567 0.000) 19.680 11.876 ( -23.178 -2.185 0.000) 23.281 11.940 ( -3.867 -16.648 0.000) 17.092 14.259 ( 14.828 5.980 0.000) 15.989 14.433 ( 4.477 8.970 0.000) 10.025 14.694 ( -3.060 3.052 0.000) 4.321 14.777 ( -3.756 1.075 0.000) 3.907 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 16.484 -5.496 0.000) 17.376 2.068 ( 15.749 8.144 0.000) 17.730 2.324 ( -12.894 -9.746 0.000) 16.163 2.378 ( -12.591 6.939 0.000) 14.376 2.621 ( 3.597 -5.511 0.000) 6.582 2.689 ( -0.837 -5.980 0.000) 6.039 3.048 ( 1.078 -6.831 0.000) 6.916 3.054 ( 1.367 1.824 0.000) 2.279 3.164 ( -6.118 -10.026 0.000) 11.745 3.173 ( -9.318 0.335 0.000) 9.324 3.598 ( 5.180 -1.575 0.000) 5.414 3.699 ( -4.955 -6.161 0.000) 7.907 3.896 ( 8.069 -3.248 0.000) 8.698 4.033 ( -6.527 -7.416 0.000) 9.879 4.094 ( 13.418 13.639 0.000) 19.133 4.263 ( 21.421 11.280 0.000) 24.210 4.332 ( -8.147 12.227 0.000) 14.692 4.501 ( -4.574 4.823 0.000) 6.647 4.634 ( -1.449 -2.549 0.000) 2.933 4.676 ( -2.485 3.611 0.000) 4.384 5.246 ( 4.729 8.226 0.000) 9.488 5.315 ( -1.406 -13.290 0.000) 13.364 5.442 ( -1.780 19.682 0.000) 19.763 5.445 ( 0.015 5.948 0.000) 5.948 5.778 ( -0.486 2.254 0.000) 2.306 5.780 ( -1.583 4.353 0.000) 4.632 6.286 ( 1.308 -4.790 0.000) 4.966 6.313 ( -3.210 -6.411 0.000) 7.170 6.367 ( 1.754 3.752 0.000) 4.142 6.389 ( -0.584 -0.810 0.000) 0.998 6.740 ( 4.592 1.367 0.000) 4.791 6.765 ( 3.458 0.782 0.000) 3.545 6.859 ( 0.615 -0.430 0.000) 0.750 6.864 ( 5.776 3.470 0.000) 6.738 6.972 ( -1.055 1.401 0.000) 1.754 7.147 ( -11.857 3.542 0.000) 12.375 7.372 ( 0.895 -0.684 0.000) 1.126 7.389 ( -0.031 -1.567 0.000) 1.567 7.575 ( 5.468 0.252 0.000) 5.474 7.725 ( -8.711 -0.847 0.000) 8.752 8.077 ( -0.006 0.246 0.000) 0.246 8.102 ( -2.011 -0.433 0.000) 2.057 8.208 ( 2.545 -9.679 0.000) 10.008 8.308 ( -7.568 -9.323 0.000) 12.008 8.974 ( 5.815 -3.943 0.000) 7.026 9.038 ( -0.898 -3.540 0.000) 3.652 9.332 ( 10.259 -3.993 0.000) 11.009 9.534 ( -9.482 -5.458 0.000) 10.941 9.623 ( 18.960 18.043 0.000) 26.173 10.057 ( -24.152 13.727 0.000) 27.781 10.436 ( 33.414 2.190 0.000) 33.486 10.740 ( 31.658 -1.945 0.000) 31.717 11.067 ( -29.552 1.960 0.000) 29.617 11.353 ( -29.180 -2.142 0.000) 29.259 11.787 ( 3.556 -20.696 0.000) 20.999 11.862 ( -3.919 -18.876 0.000) 19.278 14.509 ( 10.398 4.087 0.000) 11.173 14.526 ( 4.804 7.496 0.000) 8.903 14.618 ( -4.366 5.636 0.000) 7.129 14.676 ( -6.591 2.413 0.000) 7.018 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 23.053 0.000) 23.053 1.196 ( 0.000 26.226 0.000) 26.226 1.866 ( 0.000 -12.355 0.000) 12.355 2.173 ( 0.000 -1.811 0.000) 1.811 2.193 ( 0.000 26.833 0.000) 26.833 2.648 ( 0.000 -10.122 0.000) 10.122 2.652 ( 0.000 -2.713 0.000) 2.713 3.338 ( 0.000 -3.515 0.000) 3.515 3.444 ( 0.000 -8.808 0.000) 8.808 3.791 ( 0.000 -7.570 0.000) 7.570 3.802 ( 0.000 2.754 0.000) 2.754 4.030 ( 0.000 1.228 0.000) 1.228 4.090 ( 0.000 0.688 0.000) 0.688 4.143 ( 0.000 -14.098 0.000) 14.098 4.188 ( 0.000 19.001 0.000) 19.001 4.225 ( 0.000 3.530 0.000) 3.530 4.588 ( 0.000 8.416 0.000) 8.416 4.802 ( 0.000 -2.736 0.000) 2.736 4.802 ( 0.000 -0.704 0.000) 0.704 4.895 ( 0.000 17.784 0.000) 17.784 5.067 ( 0.000 -10.271 0.000) 10.271 5.116 ( 0.000 4.510 0.000) 4.510 5.181 ( 0.000 -2.410 0.000) 2.410 5.335 ( 0.000 -1.369 0.000) 1.369 5.375 ( 0.000 0.786 0.000) 0.786 5.604 ( 0.000 -11.756 0.000) 11.756 5.680 ( 0.000 -13.138 0.000) 13.138 5.788 ( 0.000 -9.987 0.000) 9.987 6.215 ( 0.000 11.252 0.000) 11.252 6.382 ( 0.000 4.353 0.000) 4.353 6.491 ( 0.000 -2.047 0.000) 2.047 6.554 ( 0.000 -6.630 0.000) 6.630 7.074 ( 0.000 9.616 0.000) 9.616 7.110 ( 0.000 8.238 0.000) 8.238 7.121 ( 0.000 14.265 0.000) 14.265 7.418 ( 0.000 -1.027 0.000) 1.027 7.420 ( 0.000 -3.474 0.000) 3.474 7.725 ( 0.000 -11.450 0.000) 11.450 7.832 ( 0.000 1.260 0.000) 1.260 7.951 ( 0.000 -1.492 0.000) 1.492 8.025 ( 0.000 4.991 0.000) 4.991 8.238 ( 0.000 1.244 0.000) 1.244 8.313 ( 0.000 1.972 0.000) 1.972 8.314 ( 0.000 0.956 0.000) 0.956 8.561 ( 0.000 0.385 0.000) 0.385 8.630 ( 0.000 -5.054 0.000) 5.054 8.676 ( 0.000 -11.631 0.000) 11.631 8.736 ( 0.000 -4.855 0.000) 4.855 9.414 ( 0.000 32.541 0.000) 32.541 9.621 ( 0.000 4.395 0.000) 4.395 9.857 ( 0.000 -6.784 0.000) 6.784 10.953 ( 0.000 -34.680 0.000) 34.680 12.022 ( 0.000 2.391 0.000) 2.391 12.136 ( 0.000 -2.488 0.000) 2.488 12.367 ( 0.000 2.641 0.000) 2.641 12.518 ( 0.000 -3.557 0.000) 3.557 13.648 ( 0.000 16.597 0.000) 16.597 14.319 ( 0.000 -12.339 0.000) 12.339 14.534 ( 0.000 11.197 0.000) 11.197 14.832 ( 0.000 -2.777 0.000) 2.777 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 10.573 19.504 0.000) 22.185 1.352 ( 13.280 23.710 0.000) 27.176 1.926 ( 5.662 -12.648 0.000) 13.858 2.253 ( 6.420 -14.722 0.000) 16.061 2.356 ( 15.156 29.374 0.000) 33.054 2.621 ( -1.244 -8.912 0.000) 8.998 2.675 ( 3.184 0.587 0.000) 3.237 3.283 ( -4.824 -1.397 0.000) 5.022 3.452 ( -1.135 -7.377 0.000) 7.464 3.698 ( -8.404 -8.478 0.000) 11.938 3.772 ( -3.742 2.040 0.000) 4.263 3.860 ( -12.425 13.508 0.000) 18.353 3.997 ( -4.764 6.830 0.000) 8.327 4.101 ( 0.472 -7.810 0.000) 7.824 4.227 ( -0.776 -3.158 0.000) 3.251 4.300 ( -6.364 3.023 0.000) 7.046 4.410 ( -9.244 2.835 0.000) 9.669 4.690 ( -6.161 -7.059 0.000) 9.369 4.777 ( -0.791 2.237 0.000) 2.373 4.901 ( 2.015 12.080 0.000) 12.247 5.059 ( 3.325 4.471 0.000) 5.572 5.102 ( -12.710 1.719 0.000) 12.825 5.257 ( 4.871 1.859 0.000) 5.213 5.417 ( 13.024 -4.604 0.000) 13.814 5.435 ( 6.700 -0.319 0.000) 6.708 5.658 ( 7.005 -10.348 0.000) 12.497 5.768 ( -1.701 -4.821 0.000) 5.112 5.852 ( 18.366 -10.875 0.000) 21.344 6.305 ( 7.564 14.897 0.000) 16.708 6.350 ( -2.862 3.374 0.000) 4.424 6.566 ( 0.819 -7.338 0.000) 7.383 6.655 ( 9.966 -0.145 0.000) 9.967 6.962 ( -6.064 11.601 0.000) 13.090 7.080 ( -3.645 11.544 0.000) 12.105 7.215 ( 4.535 0.281 0.000) 4.544 7.325 ( -6.279 -2.428 0.000) 6.732 7.438 ( 0.053 -2.334 0.000) 2.334 7.621 ( -9.832 -11.534 0.000) 15.156 7.785 ( -4.549 2.292 0.000) 5.094 7.948 ( -0.834 -3.261 0.000) 3.366 8.104 ( 5.623 2.511 0.000) 6.158 8.195 ( -3.039 2.776 0.000) 4.116 8.296 ( -2.113 1.196 0.000) 2.428 8.482 ( 13.584 -2.697 0.000) 13.849 8.606 ( 3.893 1.024 0.000) 4.026 8.631 ( -1.867 -7.313 0.000) 7.547 8.761 ( 13.550 -5.204 0.000) 14.515 8.791 ( 5.175 -4.369 0.000) 6.773 9.463 ( 4.811 31.295 0.000) 31.662 9.523 ( -7.071 8.942 0.000) 11.400 9.874 ( 0.391 -9.142 0.000) 9.151 10.973 ( 1.986 -34.287 0.000) 34.345 11.786 ( -20.449 4.611 0.000) 20.962 11.984 ( -12.488 -4.833 0.000) 13.390 12.287 ( -8.114 2.674 0.000) 8.543 12.438 ( -8.033 -3.558 0.000) 8.786 13.826 ( 15.148 15.056 0.000) 21.358 14.457 ( 10.558 -12.148 0.000) 16.095 14.547 ( 1.235 10.865 0.000) 10.935 14.830 ( -0.223 -2.480 0.000) 2.490 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 13.891 12.636 0.000) 18.779 1.645 ( 15.529 19.398 0.000) 24.848 2.069 ( 8.190 -13.581 0.000) 15.860 2.366 ( 2.852 -10.516 0.000) 10.896 2.512 ( -2.079 -5.404 0.000) 5.790 2.664 ( 6.885 -14.476 0.000) 16.030 2.949 ( 22.409 20.243 0.000) 30.199 3.163 ( -7.013 1.880 0.000) 7.261 3.304 ( -13.723 3.894 0.000) 14.265 3.529 ( -7.481 -4.534 0.000) 8.747 3.609 ( -9.056 -2.478 0.000) 9.389 3.777 ( -0.070 5.461 0.000) 5.462 3.867 ( -5.244 14.998 0.000) 15.888 4.016 ( -13.141 -12.028 0.000) 17.814 4.176 ( 3.500 -7.456 0.000) 8.237 4.177 ( -3.834 6.885 0.000) 7.881 4.219 ( -5.199 10.298 0.000) 11.536 4.739 ( 1.477 -11.446 0.000) 11.541 4.773 ( -0.872 9.695 0.000) 9.734 4.858 ( -4.674 -7.349 0.000) 8.709 4.959 ( 1.616 7.330 0.000) 7.506 5.205 ( 10.394 10.471 0.000) 14.754 5.256 ( 0.319 -15.420 0.000) 15.423 5.597 ( 7.539 -2.229 0.000) 7.861 5.746 ( 0.699 11.522 0.000) 11.544 5.749 ( 15.925 4.517 0.000) 16.553 5.923 ( 15.500 -4.403 0.000) 16.113 6.201 ( 14.749 -8.033 0.000) 16.795 6.291 ( -1.777 -0.611 0.000) 1.879 6.447 ( 6.028 17.881 0.000) 18.870 6.558 ( -2.484 -9.523 0.000) 9.841 6.772 ( 0.017 10.115 0.000) 10.115 6.874 ( -0.376 4.146 0.000) 4.163 6.999 ( -4.140 6.589 0.000) 7.781 7.164 ( -7.553 -4.504 0.000) 8.795 7.297 ( 2.140 -0.103 0.000) 2.143 7.392 ( -11.026 -10.200 0.000) 15.020 7.436 ( 0.015 -3.899 0.000) 3.899 7.661 ( -7.706 4.447 0.000) 8.897 7.902 ( -3.826 -5.551 0.000) 6.742 8.134 ( -3.273 2.044 0.000) 3.859 8.163 ( -0.177 -1.045 0.000) 1.060 8.230 ( -4.291 -0.454 0.000) 4.315 8.447 ( -9.131 -12.829 0.000) 15.747 8.708 ( 6.328 2.847 0.000) 6.939 8.915 ( 17.944 4.062 0.000) 18.398 8.916 ( 6.914 -4.246 0.000) 8.113 9.152 ( 23.093 -5.561 0.000) 23.753 9.462 ( 5.203 9.972 0.000) 11.248 9.597 ( 8.580 28.998 0.000) 30.241 9.870 ( 0.776 -9.452 0.000) 9.484 11.031 ( 3.786 -33.111 0.000) 33.327 11.323 ( -24.628 8.413 0.000) 26.026 11.739 ( -11.266 -11.705 0.000) 16.247 12.047 ( -16.056 2.774 0.000) 16.294 12.201 ( -15.881 -3.567 0.000) 16.276 14.148 ( 15.852 12.228 0.000) 20.020 14.581 ( 2.201 9.875 0.000) 10.117 14.635 ( 6.418 -7.714 0.000) 10.034 14.821 ( -0.792 -1.563 0.000) 1.752 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 12.594 5.920 0.000) 13.916 1.961 ( 16.257 13.900 0.000) 21.389 2.229 ( 7.529 -14.752 0.000) 16.562 2.328 ( -6.435 -6.551 0.000) 9.183 2.463 ( -1.596 -8.136 0.000) 8.291 2.774 ( 3.011 -19.146 0.000) 19.381 2.976 ( -15.177 8.262 0.000) 17.280 3.034 ( -8.850 -0.380 0.000) 8.858 3.211 ( 0.014 7.862 0.000) 7.862 3.395 ( -11.644 -0.897 0.000) 11.678 3.503 ( 5.810 -2.869 0.000) 6.480 3.720 ( -5.611 -3.309 0.000) 6.514 3.888 ( 4.539 17.470 0.000) 18.050 3.897 ( 1.073 -4.617 0.000) 4.740 4.175 ( 8.523 12.749 0.000) 15.336 4.271 ( 9.511 14.719 0.000) 17.525 4.292 ( 6.993 -10.772 0.000) 12.843 4.598 ( -6.869 -2.056 0.000) 7.170 4.740 ( -2.165 11.225 0.000) 11.432 4.902 ( -7.457 4.999 0.000) 8.978 4.944 ( 3.615 -17.563 0.000) 17.931 5.349 ( 9.410 -18.704 0.000) 20.938 5.444 ( 13.212 11.970 0.000) 17.828 5.628 ( -4.981 7.490 0.000) 8.995 5.835 ( 5.947 9.737 0.000) 11.409 5.967 ( 5.080 11.661 0.000) 12.720 6.181 ( 8.799 -1.839 0.000) 8.989 6.257 ( -1.748 -4.095 0.000) 4.453 6.365 ( -2.555 -5.204 0.000) 5.797 6.526 ( 1.028 14.229 0.000) 14.266 6.542 ( 6.798 -8.175 0.000) 10.633 6.731 ( 0.235 9.322 0.000) 9.325 6.923 ( 1.322 1.699 0.000) 2.152 6.926 ( -3.019 3.888 0.000) 4.922 7.032 ( -3.409 -1.049 0.000) 3.567 7.263 ( -1.520 -8.837 0.000) 8.967 7.331 ( 1.052 -0.897 0.000) 1.382 7.453 ( 2.242 -5.064 0.000) 5.538 7.489 ( -9.359 6.808 0.000) 11.574 7.800 ( -6.312 -6.282 0.000) 8.905 8.064 ( -3.488 -1.118 0.000) 3.662 8.117 ( -3.581 -1.659 0.000) 3.947 8.138 ( -4.533 -1.986 0.000) 4.949 8.247 ( -10.135 -11.686 0.000) 15.469 8.844 ( 6.866 3.059 0.000) 7.517 9.057 ( 7.432 -5.001 0.000) 8.958 9.068 ( 0.258 5.888 0.000) 5.893 9.455 ( 2.791 -9.362 0.000) 9.769 9.801 ( 11.965 26.683 0.000) 29.243 9.855 ( 30.174 4.820 0.000) 30.556 10.075 ( 23.419 -4.716 0.000) 23.889 10.849 ( -22.503 13.431 0.000) 26.207 11.121 ( 5.290 -31.136 0.000) 31.583 11.541 ( -8.906 -18.781 0.000) 20.786 11.654 ( -23.448 2.952 0.000) 23.633 11.812 ( -23.173 -3.581 0.000) 23.448 14.425 ( 11.842 8.829 0.000) 14.771 14.630 ( 2.643 8.217 0.000) 8.631 14.712 ( 1.728 -2.052 0.000) 2.682 14.794 ( -2.046 0.030 0.000) 2.046 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 11.212 0.425 0.000) 11.220 2.147 ( -10.242 -3.231 0.000) 10.740 2.292 ( 16.412 10.041 0.000) 19.240 2.354 ( 4.893 -13.297 0.000) 14.168 2.434 ( -1.911 -11.384 0.000) 11.543 2.643 ( -17.373 6.146 0.000) 18.428 2.810 ( 2.219 -15.433 0.000) 15.592 2.892 ( -5.917 -6.207 0.000) 8.575 3.181 ( -0.441 7.752 0.000) 7.764 3.220 ( -5.075 5.175 0.000) 7.248 3.584 ( 2.293 -5.947 0.000) 6.374 3.632 ( -3.153 -6.324 0.000) 7.066 3.932 ( 1.396 3.274 0.000) 3.559 3.939 ( 0.844 9.997 0.000) 10.033 4.388 ( 12.046 12.224 0.000) 17.162 4.415 ( 4.652 -10.086 0.000) 11.107 4.489 ( -0.904 -8.776 0.000) 8.823 4.629 ( 13.482 19.365 0.000) 23.596 4.656 ( -10.518 11.379 0.000) 15.496 4.740 ( -3.545 5.987 0.000) 6.958 5.031 ( 10.479 -11.501 0.000) 15.559 5.388 ( -18.735 4.285 0.000) 19.219 5.582 ( 12.590 -14.417 0.000) 19.140 5.701 ( 10.536 8.125 0.000) 13.306 5.838 ( -6.319 5.104 0.000) 8.123 5.939 ( -7.219 17.896 0.000) 19.297 6.189 ( 1.385 -3.637 0.000) 3.892 6.246 ( -1.449 -0.243 0.000) 1.470 6.420 ( 5.465 3.672 0.000) 6.585 6.501 ( -2.550 7.964 0.000) 8.362 6.690 ( 6.423 -5.271 0.000) 8.309 6.776 ( 0.222 1.373 0.000) 1.391 6.858 ( -2.607 -0.883 0.000) 2.752 6.878 ( -2.023 3.409 0.000) 3.964 7.113 ( 8.294 8.236 0.000) 11.689 7.290 ( 2.330 -5.459 0.000) 5.935 7.298 ( -9.315 6.772 0.000) 11.517 7.332 ( -1.039 -4.174 0.000) 4.301 7.532 ( 5.535 -5.216 0.000) 7.606 7.662 ( -7.211 -5.884 0.000) 9.307 8.015 ( -0.800 -5.180 0.000) 5.241 8.048 ( -3.282 -4.125 0.000) 5.271 8.070 ( -1.818 -2.693 0.000) 3.249 8.087 ( -4.570 -7.304 0.000) 8.616 8.962 ( 4.862 2.710 0.000) 5.566 9.036 ( -2.730 3.857 0.000) 4.726 9.214 ( 8.364 -6.576 0.000) 10.640 9.377 ( -7.415 -8.749 0.000) 11.469 10.073 ( 15.500 23.506 0.000) 28.157 10.407 ( -15.679 17.693 0.000) 23.641 10.500 ( 32.223 3.643 0.000) 32.428 10.687 ( 29.178 -2.432 0.000) 29.280 11.125 ( -29.514 2.997 0.000) 29.665 11.238 ( 5.955 -27.736 0.000) 28.368 11.291 ( -28.556 -3.872 0.000) 28.817 11.378 ( -7.563 -24.196 0.000) 25.351 14.617 ( 7.585 5.367 0.000) 9.292 14.681 ( 2.300 5.810 0.000) 6.249 14.716 ( -0.996 2.477 0.000) 2.670 14.733 ( -4.240 2.352 0.000) 4.849 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 -19.203 0.000) 19.203 1.521 ( 0.000 19.203 0.000) 19.203 1.729 ( 0.000 -23.107 0.000) 23.107 1.729 ( 0.000 23.107 0.000) 23.107 2.518 ( 0.000 -2.141 0.000) 2.141 2.518 ( 0.000 2.141 0.000) 2.141 3.194 ( 0.000 -38.135 0.000) 38.135 3.194 ( 0.000 38.135 0.000) 38.135 3.323 ( 0.000 -2.360 0.000) 2.360 3.323 ( 0.000 2.360 0.000) 2.360 3.915 ( 0.000 -7.173 0.000) 7.173 3.915 ( 0.000 7.173 0.000) 7.173 4.091 ( 0.000 -0.882 0.000) 0.882 4.091 ( 0.000 0.882 0.000) 0.882 4.402 ( 0.000 -5.003 0.000) 5.003 4.402 ( 0.000 5.003 0.000) 5.003 4.728 ( 0.000 -4.629 0.000) 4.629 4.728 ( 0.000 4.629 0.000) 4.629 4.817 ( 0.000 -9.895 0.000) 9.895 4.817 ( 0.000 9.895 0.000) 9.895 5.160 ( 0.000 -0.078 0.000) 0.078 5.160 ( 0.000 0.078 0.000) 0.078 5.282 ( 0.000 -17.541 0.000) 17.541 5.282 ( 0.000 17.541 0.000) 17.541 5.424 ( 0.000 -9.548 0.000) 9.548 5.424 ( 0.000 9.548 0.000) 9.548 5.542 ( 0.000 -11.412 0.000) 11.412 5.542 ( 0.000 11.412 0.000) 11.412 6.409 ( 0.000 -6.273 0.000) 6.273 6.409 ( 0.000 6.273 0.000) 6.273 6.453 ( 0.000 -3.215 0.000) 3.215 6.453 ( 0.000 3.215 0.000) 3.215 7.211 ( 0.000 -0.644 0.000) 0.644 7.211 ( 0.000 0.644 0.000) 0.644 7.372 ( 0.000 -0.977 0.000) 0.977 7.372 ( 0.000 0.977 0.000) 0.977 7.441 ( 0.000 -14.640 0.000) 14.640 7.441 ( 0.000 14.640 0.000) 14.640 7.892 ( 0.000 -3.471 0.000) 3.471 7.892 ( 0.000 3.471 0.000) 3.471 8.215 ( 0.000 -10.461 0.000) 10.461 8.215 ( 0.000 10.461 0.000) 10.461 8.290 ( 0.000 -2.975 0.000) 2.975 8.290 ( 0.000 2.975 0.000) 2.975 8.546 ( 0.000 -1.258 0.000) 1.258 8.546 ( 0.000 1.258 0.000) 1.258 8.625 ( 0.000 -4.966 0.000) 4.966 8.625 ( 0.000 4.966 0.000) 4.966 9.726 ( 0.000 -5.402 0.000) 5.402 9.726 ( 0.000 5.402 0.000) 5.402 10.171 ( 0.000 -36.892 0.000) 36.892 10.171 ( 0.000 36.892 0.000) 36.892 12.079 ( 0.000 -2.768 0.000) 2.768 12.079 ( 0.000 2.768 0.000) 2.768 12.438 ( 0.000 -3.713 0.000) 3.713 12.438 ( 0.000 3.713 0.000) 3.713 14.008 ( 0.000 -16.179 0.000) 16.179 14.008 ( 0.000 16.179 0.000) 16.179 14.731 ( 0.000 -6.878 0.000) 6.878 14.731 ( 0.000 6.878 0.000) 6.878 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 6.278 -18.089 0.000) 19.147 1.588 ( 6.278 18.089 0.000) 19.147 1.846 ( 10.331 -21.691 0.000) 24.025 1.846 ( 10.331 21.691 0.000) 24.025 2.491 ( -2.091 -1.716 0.000) 2.705 2.491 ( -2.091 1.716 0.000) 2.705 3.248 ( 4.800 -31.016 0.000) 31.386 3.248 ( 4.800 31.016 0.000) 31.386 3.314 ( -1.206 -4.356 0.000) 4.519 3.314 ( -1.206 4.356 0.000) 4.519 3.896 ( -2.115 -8.582 0.000) 8.839 3.896 ( -2.115 8.582 0.000) 8.839 4.111 ( 1.795 -4.821 0.000) 5.144 4.111 ( 1.795 4.821 0.000) 5.144 4.174 ( -16.930 -12.591 0.000) 21.099 4.174 ( -16.930 12.591 0.000) 21.099 4.555 ( -10.411 -6.845 0.000) 12.459 4.555 ( -10.411 6.845 0.000) 12.459 4.894 ( 4.602 -6.754 0.000) 8.173 4.894 ( 4.602 6.754 0.000) 8.173 5.183 ( -12.376 -5.630 0.000) 13.597 5.183 ( -12.376 5.630 0.000) 13.597 5.352 ( 5.019 -13.036 0.000) 13.969 5.352 ( 5.019 13.036 0.000) 13.969 5.469 ( 16.689 -7.071 0.000) 18.125 5.469 ( 16.689 7.071 0.000) 18.125 5.676 ( 13.208 -2.712 0.000) 13.483 5.676 ( 13.208 2.712 0.000) 13.483 6.435 ( -1.965 -4.786 0.000) 5.173 6.435 ( -1.965 4.786 0.000) 5.173 6.558 ( 11.328 -8.355 0.000) 14.076 6.558 ( 11.328 8.355 0.000) 14.076 7.159 ( -5.213 -6.531 0.000) 8.357 7.159 ( -5.213 6.531 0.000) 8.357 7.352 ( -8.053 -13.126 0.000) 15.400 7.352 ( -8.053 13.126 0.000) 15.400 7.360 ( -0.632 -4.658 0.000) 4.700 7.360 ( -0.632 4.658 0.000) 4.700 7.863 ( -2.937 -4.336 0.000) 5.237 7.863 ( -2.937 4.336 0.000) 5.237 8.261 ( 1.314 -11.637 0.000) 11.711 8.261 ( 1.314 11.637 0.000) 11.711 8.265 ( -2.555 -3.241 0.000) 4.127 8.265 ( -2.555 3.241 0.000) 4.127 8.652 ( 12.826 -4.576 0.000) 13.618 8.652 ( 12.826 4.576 0.000) 13.618 8.679 ( 5.051 -5.176 0.000) 7.233 8.679 ( 5.051 5.176 0.000) 7.233 9.696 ( -2.579 -7.729 0.000) 8.148 9.696 ( -2.579 7.729 0.000) 8.148 10.202 ( 3.066 -36.259 0.000) 36.388 10.202 ( 3.066 36.259 0.000) 36.388 11.885 ( -16.878 -4.532 0.000) 17.476 11.885 ( -16.878 4.532 0.000) 17.476 12.358 ( -8.054 -3.732 0.000) 8.877 12.358 ( -8.054 3.732 0.000) 8.877 14.159 ( 12.701 -15.250 0.000) 19.846 14.159 ( 12.701 15.250 0.000) 19.846 14.736 ( 0.491 -6.532 0.000) 6.551 14.736 ( 0.491 6.532 0.000) 6.551 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 8.625 -15.711 0.000) 17.922 1.743 ( 8.625 15.711 0.000) 17.922 2.063 ( 10.232 -18.238 0.000) 20.912 2.063 ( 10.232 18.238 0.000) 20.912 2.454 ( -1.777 -2.899 0.000) 3.400 2.454 ( -1.777 2.899 0.000) 3.400 3.249 ( -6.169 -5.627 0.000) 8.350 3.249 ( -6.169 5.627 0.000) 8.350 3.346 ( 4.018 -13.599 0.000) 14.180 3.346 ( 4.018 13.599 0.000) 14.180 3.737 ( -14.259 -11.585 0.000) 18.372 3.737 ( -14.259 11.585 0.000) 18.372 3.977 ( -0.330 -10.386 0.000) 10.391 3.977 ( -0.330 10.386 0.000) 10.391 4.157 ( 3.018 -9.252 0.000) 9.732 4.157 ( 3.018 9.252 0.000) 9.732 4.443 ( 0.015 -9.867 0.000) 9.867 4.443 ( 0.015 9.867 0.000) 9.867 4.938 ( -8.915 -11.960 0.000) 14.917 4.938 ( -8.915 11.960 0.000) 14.917 4.950 ( 0.560 -5.627 0.000) 5.655 4.950 ( 0.560 5.627 0.000) 5.655 5.471 ( 7.481 -10.229 0.000) 12.673 5.471 ( 7.481 10.229 0.000) 12.673 5.837 ( 17.780 -3.808 0.000) 18.183 5.837 ( 17.780 3.808 0.000) 18.183 5.992 ( 16.400 -11.281 0.000) 19.905 5.992 ( 16.400 11.281 0.000) 19.905 6.359 ( -6.069 -7.138 0.000) 9.369 6.359 ( -6.069 7.138 0.000) 9.369 6.760 ( 8.155 -9.608 0.000) 12.602 6.760 ( 8.155 9.608 0.000) 12.602 7.025 ( -7.373 -8.166 0.000) 11.002 7.025 ( -7.373 8.166 0.000) 11.002 7.174 ( -8.498 -9.556 0.000) 12.788 7.174 ( -8.498 9.556 0.000) 12.788 7.353 ( -0.239 -3.936 0.000) 3.943 7.353 ( -0.239 3.936 0.000) 3.943 7.778 ( -5.484 -5.953 0.000) 8.094 7.778 ( -5.484 5.953 0.000) 8.094 8.190 ( -4.823 -2.767 0.000) 5.560 8.190 ( -4.823 2.767 0.000) 5.560 8.214 ( -5.158 -7.132 0.000) 8.802 8.214 ( -5.158 7.132 0.000) 8.802 8.802 ( 6.906 -5.486 0.000) 8.820 8.802 ( 6.906 5.486 0.000) 8.820 9.027 ( 20.612 -5.859 0.000) 21.429 9.027 ( 20.612 5.859 0.000) 21.429 9.669 ( 2.511 -9.386 0.000) 9.716 9.669 ( 2.511 9.386 0.000) 9.716 10.291 ( 5.902 -34.457 0.000) 34.959 10.291 ( 5.902 34.457 0.000) 34.959 11.514 ( -18.875 -9.477 0.000) 21.120 11.514 ( -18.875 9.477 0.000) 21.120 12.120 ( -15.928 -3.790 0.000) 16.372 12.120 ( -15.928 3.790 0.000) 16.372 14.416 ( 11.844 -11.994 0.000) 16.856 14.416 ( 11.844 11.994 0.000) 16.856 14.748 ( 0.688 -5.474 0.000) 5.517 14.748 ( 0.688 5.474 0.000) 5.517 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 7.915 -13.422 0.000) 15.581 1.909 ( 7.915 13.422 0.000) 15.581 2.230 ( 5.292 -7.311 0.000) 9.025 2.230 ( 5.292 7.311 0.000) 9.025 2.415 ( -0.762 -9.814 0.000) 9.844 2.415 ( -0.762 9.814 0.000) 9.844 3.052 ( -13.126 -0.902 0.000) 13.157 3.052 ( -13.126 0.902 0.000) 13.157 3.388 ( 0.493 -7.407 0.000) 7.424 3.388 ( 0.493 7.407 0.000) 7.424 3.505 ( -7.910 -10.848 0.000) 13.426 3.505 ( -7.910 10.848 0.000) 13.426 4.038 ( 5.058 -11.646 0.000) 12.697 4.038 ( 5.058 11.646 0.000) 12.697 4.215 ( 1.964 -11.999 0.000) 12.159 4.215 ( 1.964 11.999 0.000) 12.159 4.539 ( 7.663 -17.777 0.000) 19.358 4.539 ( 7.663 17.777 0.000) 19.358 4.896 ( 6.193 -21.315 0.000) 22.196 4.896 ( 6.193 21.315 0.000) 22.196 4.913 ( -4.025 -4.102 0.000) 5.747 4.913 ( -4.025 4.102 0.000) 5.747 5.630 ( 6.498 -5.278 0.000) 8.372 5.630 ( 6.498 5.278 0.000) 8.372 6.122 ( 9.823 -4.077 0.000) 10.636 6.122 ( 9.823 4.077 0.000) 10.636 6.132 ( -7.914 -11.289 0.000) 13.787 6.132 ( -7.914 11.289 0.000) 13.787 6.343 ( 11.090 -6.229 0.000) 12.719 6.343 ( 11.090 6.229 0.000) 12.719 6.804 ( -5.622 -9.205 0.000) 10.786 6.804 ( -5.622 9.205 0.000) 10.786 6.969 ( 4.254 -8.858 0.000) 9.826 6.969 ( 4.254 8.858 0.000) 9.826 7.058 ( -2.786 -8.592 0.000) 9.032 7.058 ( -2.786 8.592 0.000) 9.032 7.345 ( -0.373 -3.416 0.000) 3.437 7.345 ( -0.373 3.416 0.000) 3.437 7.650 ( -7.321 -7.509 0.000) 10.487 7.650 ( -7.321 7.509 0.000) 10.487 8.086 ( -5.231 -2.345 0.000) 5.732 8.086 ( -5.231 2.345 0.000) 5.732 8.094 ( -6.054 -1.754 0.000) 6.303 8.094 ( -6.054 1.754 0.000) 6.303 8.940 ( 6.779 -5.455 0.000) 8.702 8.940 ( 6.779 5.455 0.000) 8.702 9.245 ( 0.579 -9.676 0.000) 9.693 9.245 ( 0.579 9.676 0.000) 9.693 9.966 ( 27.140 -5.294 0.000) 27.652 9.966 ( 27.140 5.294 0.000) 27.652 10.434 ( 8.462 -31.605 0.000) 32.718 10.434 ( 8.462 31.605 0.000) 32.718 11.165 ( -16.111 -16.039 0.000) 22.734 11.165 ( -16.111 16.039 0.000) 22.734 11.730 ( -23.232 -3.889 0.000) 23.555 11.730 ( -23.232 3.889 0.000) 23.555 14.607 ( 7.287 -7.309 0.000) 10.321 14.607 ( 7.287 7.309 0.000) 10.321 14.759 ( 0.284 -3.638 0.000) 3.649 14.759 ( 0.284 3.638 0.000) 3.649 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 7.156 -11.158 0.000) 13.256 2.057 ( 7.156 11.158 0.000) 13.256 2.195 ( -6.296 -7.829 0.000) 10.046 2.195 ( -6.296 7.829 0.000) 10.046 2.530 ( 10.694 -11.367 0.000) 15.606 2.530 ( 10.694 11.367 0.000) 15.606 2.777 ( -13.685 -5.336 0.000) 14.689 2.777 ( -13.685 5.336 0.000) 14.689 3.387 ( -0.010 -10.543 0.000) 10.543 3.387 ( -0.010 10.543 0.000) 10.543 3.408 ( -2.524 -11.425 0.000) 11.700 3.408 ( -2.524 11.425 0.000) 11.700 4.145 ( 5.088 -13.117 0.000) 14.069 4.145 ( 5.088 13.117 0.000) 14.069 4.218 ( -1.887 -13.743 0.000) 13.872 4.218 ( -1.887 13.743 0.000) 13.872 4.676 ( 6.393 -12.241 0.000) 13.810 4.676 ( 6.393 12.241 0.000) 13.810 4.805 ( -6.397 -2.131 0.000) 6.743 4.805 ( -6.397 2.131 0.000) 6.743 5.177 ( 19.424 -20.801 0.000) 28.460 5.177 ( 19.424 20.801 0.000) 28.460 5.554 ( -15.423 -11.003 0.000) 18.945 5.554 ( -15.423 11.003 0.000) 18.945 6.083 ( 5.494 -8.605 0.000) 10.209 6.083 ( 5.494 8.605 0.000) 10.209 6.195 ( -2.512 -5.923 0.000) 6.434 6.195 ( -2.512 5.923 0.000) 6.434 6.548 ( 8.153 -7.276 0.000) 10.928 6.548 ( 8.153 7.276 0.000) 10.928 6.677 ( -5.925 -7.751 0.000) 9.756 6.677 ( -5.925 7.751 0.000) 9.756 7.049 ( 1.035 -12.035 0.000) 12.079 7.049 ( 1.035 12.035 0.000) 12.079 7.053 ( 2.039 -13.323 0.000) 13.479 7.053 ( 2.039 13.323 0.000) 13.479 7.369 ( 3.853 -8.050 0.000) 8.924 7.369 ( 3.853 8.050 0.000) 8.924 7.496 ( -7.861 -8.763 0.000) 11.772 7.496 ( -7.861 8.763 0.000) 11.772 8.003 ( -2.528 -1.904 0.000) 3.165 8.003 ( -2.528 1.904 0.000) 3.165 8.004 ( -2.495 -2.603 0.000) 3.606 8.004 ( -2.495 2.603 0.000) 3.606 9.068 ( 6.152 -6.499 0.000) 8.949 9.068 ( 6.152 6.499 0.000) 8.949 9.181 ( -5.100 -8.756 0.000) 10.133 9.181 ( -5.100 8.756 0.000) 10.133 10.576 ( 31.180 -3.032 0.000) 31.327 10.576 ( 31.180 3.032 0.000) 31.327 10.625 ( 10.656 -27.605 0.000) 29.590 10.625 ( 10.656 27.605 0.000) 29.590 10.879 ( -12.155 -21.292 0.000) 24.517 10.879 ( -12.155 21.292 0.000) 24.517 11.208 ( -29.002 -3.971 0.000) 29.272 11.208 ( -29.002 3.971 0.000) 29.272 14.711 ( 3.481 -2.776 0.000) 4.452 14.711 ( 3.481 2.776 0.000) 4.452 14.754 ( -1.016 -0.934 0.000) 1.380 14.754 ( -1.016 0.934 0.000) 1.380 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 0.000 0.000 24.107) 24.107 0.602 ( 0.000 0.000 28.766) 28.766 1.043 ( 0.000 0.000 49.778) 49.778 2.151 ( 0.000 0.000 5.988) 5.988 2.185 ( 0.000 0.000 9.359) 9.359 2.917 ( 0.000 0.000 3.136) 3.136 3.111 ( 0.000 0.000 -9.116) 9.116 3.344 ( 0.000 0.000 -2.008) 2.008 3.542 ( 0.000 0.000 -4.792) 4.792 3.579 ( 0.000 0.000 -4.561) 4.561 3.580 ( 0.000 0.000 -2.307) 2.307 3.775 ( 0.000 0.000 -17.239) 17.239 3.775 ( 0.000 0.000 6.506) 6.506 3.831 ( 0.000 0.000 -9.440) 9.440 4.186 ( 0.000 0.000 1.169) 1.169 4.188 ( 0.000 0.000 0.806) 0.806 4.365 ( 0.000 0.000 -5.736) 5.736 4.621 ( 0.000 0.000 -12.610) 12.610 4.875 ( 0.000 0.000 0.549) 0.549 5.041 ( 0.000 0.000 15.895) 15.895 5.159 ( 0.000 0.000 -10.953) 10.953 5.181 ( 0.000 0.000 -7.646) 7.646 5.186 ( 0.000 0.000 17.330) 17.330 5.467 ( 0.000 0.000 1.490) 1.490 5.715 ( 0.000 0.000 12.215) 12.215 5.763 ( 0.000 0.000 -7.576) 7.576 5.910 ( 0.000 0.000 -11.975) 11.975 5.951 ( 0.000 0.000 5.664) 5.664 5.964 ( 0.000 0.000 2.841) 2.841 6.282 ( 0.000 0.000 7.945) 7.945 6.513 ( 0.000 0.000 4.894) 4.894 6.620 ( 0.000 0.000 2.993) 2.993 6.648 ( 0.000 0.000 -1.415) 1.415 6.826 ( 0.000 0.000 3.935) 3.935 6.920 ( 0.000 0.000 7.065) 7.065 7.394 ( 0.000 0.000 -10.949) 10.949 7.452 ( 0.000 0.000 4.183) 4.183 7.740 ( 0.000 0.000 -12.659) 12.659 7.788 ( 0.000 0.000 -10.357) 10.357 7.815 ( 0.000 0.000 -5.782) 5.782 8.123 ( 0.000 0.000 0.935) 0.935 8.176 ( 0.000 0.000 -6.173) 6.173 8.193 ( 0.000 0.000 8.019) 8.019 8.340 ( 0.000 0.000 8.918) 8.918 8.551 ( 0.000 0.000 21.099) 21.099 8.639 ( 0.000 0.000 -11.197) 11.197 8.693 ( 0.000 0.000 -5.727) 5.727 8.977 ( 0.000 0.000 16.824) 16.824 9.225 ( 0.000 0.000 14.006) 14.006 10.050 ( 0.000 0.000 -2.803) 2.803 10.296 ( 0.000 0.000 -1.337) 1.337 11.753 ( 0.000 0.000 -14.993) 14.993 11.811 ( 0.000 0.000 -6.495) 6.495 12.066 ( 0.000 0.000 -13.398) 13.398 12.127 ( 0.000 0.000 -6.945) 6.945 12.290 ( 0.000 0.000 -1.610) 1.610 13.508 ( 0.000 0.000 21.690) 21.690 14.159 ( 0.000 0.000 1.806) 1.806 14.735 ( 0.000 0.000 -1.729) 1.729 14.860 ( 0.000 0.000 -0.852) 0.852 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 19.965 0.000 15.228) 25.110 0.759 ( 18.264 0.000 18.061) 25.686 1.555 ( 40.301 0.000 34.172) 52.838 2.195 ( 6.443 0.000 4.178) 7.679 2.359 ( 14.026 0.000 8.497) 16.399 2.948 ( 3.072 0.000 3.759) 4.855 3.103 ( -1.412 0.000 -7.078) 7.218 3.252 ( -17.218 0.000 -5.848) 18.184 3.389 ( 0.499 0.000 -6.866) 6.884 3.444 ( -10.017 0.000 -4.134) 10.837 3.574 ( -12.297 0.000 4.757) 13.185 3.727 ( -6.251 0.000 -15.002) 16.252 3.788 ( 6.247 0.000 2.123) 6.598 3.917 ( 6.413 0.000 -11.175) 12.885 4.154 ( 1.009 0.000 1.985) 2.227 4.180 ( -0.403 0.000 1.034) 1.110 4.410 ( 2.977 0.000 -3.781) 4.812 4.522 ( -8.465 0.000 -5.282) 9.978 4.744 ( -6.593 0.000 1.484) 6.758 5.073 ( -5.287 0.000 -0.700) 5.333 5.171 ( 2.774 0.000 10.163) 10.534 5.230 ( 3.189 0.000 -4.958) 5.895 5.327 ( 2.400 0.000 -1.584) 2.875 5.382 ( -5.397 0.000 0.169) 5.400 5.548 ( -13.071 0.000 2.249) 13.263 5.710 ( 0.862 0.000 12.677) 12.706 5.853 ( 7.259 0.000 -0.126) 7.261 5.967 ( 2.112 0.000 -9.826) 10.050 5.977 ( 4.897 0.000 4.250) 6.484 6.421 ( 11.170 0.000 10.961) 15.650 6.515 ( 3.678 0.000 7.753) 8.581 6.634 ( 1.331 0.000 3.102) 3.375 6.737 ( -4.015 0.000 0.654) 4.068 6.836 ( 5.574 0.000 0.254) 5.580 7.313 ( 4.347 0.000 -14.444) 15.084 7.341 ( 2.914 0.000 -7.460) 8.009 7.521 ( -11.367 0.000 -12.442) 16.852 7.541 ( 12.909 0.000 -5.891) 14.190 7.893 ( -0.701 0.000 -4.569) 4.623 7.931 ( 0.181 0.000 -0.974) 0.991 8.082 ( 0.156 0.000 -1.972) 1.978 8.131 ( 1.681 0.000 0.881) 1.898 8.235 ( -0.693 0.000 0.869) 1.111 8.264 ( 3.432 0.000 5.839) 6.773 8.609 ( -1.253 0.000 -8.118) 8.214 8.666 ( -3.264 0.000 -11.634) 12.083 8.838 ( 21.786 0.000 20.310) 29.784 9.084 ( 11.334 0.000 16.501) 20.018 9.280 ( 4.483 0.000 15.022) 15.677 9.616 ( -24.246 0.000 24.200) 34.257 10.215 ( -3.916 0.000 -3.688) 5.379 11.391 ( -25.460 0.000 -20.674) 32.797 11.873 ( 1.401 0.000 0.550) 1.505 12.114 ( 0.788 0.000 -7.734) 7.774 12.302 ( -0.393 0.000 -0.845) 0.932 12.393 ( 8.188 0.000 -10.399) 13.235 13.612 ( 10.050 0.000 14.564) 17.695 14.172 ( 1.254 0.000 0.872) 1.527 14.644 ( -5.571 0.000 -6.882) 8.854 14.847 ( -1.346 0.000 -1.235) 1.826 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 22.829 0.000 7.322) 23.974 1.205 ( 24.216 0.000 6.955) 25.195 2.380 ( 10.990 0.000 2.938) 11.376 2.415 ( 43.156 0.000 21.231) 48.095 2.657 ( 12.344 0.000 1.625) 12.450 2.904 ( -16.025 0.000 -2.759) 16.261 3.005 ( 1.469 0.000 5.067) 5.276 3.020 ( -6.550 0.000 2.804) 7.125 3.241 ( -8.532 0.000 -4.789) 9.784 3.333 ( -6.059 0.000 -7.947) 9.993 3.394 ( -4.118 0.000 -2.838) 5.001 3.601 ( -4.375 0.000 -13.358) 14.056 3.807 ( -2.608 0.000 9.359) 9.716 4.084 ( 7.691 0.000 -11.058) 13.470 4.127 ( -6.287 0.000 2.422) 6.737 4.205 ( 4.196 0.000 -1.781) 4.558 4.354 ( -1.974 0.000 2.840) 3.459 4.540 ( 3.046 0.000 -5.302) 6.115 4.621 ( -5.380 0.000 10.304) 11.624 4.942 ( -8.306 0.000 -2.730) 8.743 4.973 ( -13.024 0.000 -4.884) 13.909 5.197 ( -4.392 0.000 -2.577) 5.093 5.227 ( -7.669 0.000 -6.035) 9.759 5.428 ( 5.927 0.000 -1.834) 6.204 5.530 ( 5.517 0.000 -5.073) 7.495 5.768 ( -0.902 0.000 1.520) 1.768 5.986 ( 7.844 0.000 -4.438) 9.013 6.127 ( 14.747 0.000 -2.593) 14.974 6.158 ( 9.864 0.000 7.208) 12.217 6.559 ( 0.009 0.000 2.958) 2.958 6.651 ( 11.102 0.000 12.887) 17.010 6.652 ( -5.040 0.000 -1.005) 5.139 6.668 ( 1.983 0.000 3.416) 3.950 6.914 ( 2.249 0.000 6.464) 6.844 7.202 ( -7.343 0.000 -7.943) 10.817 7.326 ( -7.998 0.000 -11.681) 14.157 7.400 ( 0.543 0.000 -2.153) 2.220 7.664 ( -10.577 0.000 0.286) 10.581 7.810 ( -8.389 0.000 8.410) 11.879 7.827 ( 7.617 0.000 -12.193) 14.376 8.101 ( -3.517 0.000 6.225) 7.150 8.200 ( 4.592 0.000 -1.185) 4.743 8.303 ( 0.846 0.000 5.614) 5.677 8.420 ( 14.621 0.000 -12.501) 19.237 8.567 ( -5.770 0.000 -14.000) 15.143 8.660 ( 6.841 0.000 -5.336) 8.676 9.266 ( -4.374 0.000 17.043) 17.596 9.348 ( 3.341 0.000 13.513) 13.920 9.348 ( 29.157 0.000 20.522) 35.655 9.500 ( 18.951 0.000 18.749) 26.659 10.131 ( -3.610 0.000 -3.413) 4.968 10.836 ( -29.524 0.000 -20.586) 35.993 11.886 ( -0.929 0.000 2.837) 2.986 12.064 ( -5.652 0.000 -1.022) 5.743 12.238 ( -4.947 0.000 3.124) 5.850 12.339 ( -11.388 0.000 3.101) 11.802 13.870 ( 14.838 0.000 3.449) 15.234 14.209 ( 2.450 0.000 -1.612) 2.933 14.557 ( -3.557 0.000 -13.494) 13.955 14.805 ( -2.945 0.000 -2.249) 3.705 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 20.172 0.000 2.441) 20.319 1.677 ( 22.960 0.000 3.262) 23.190 2.509 ( -7.097 0.000 -2.181) 7.424 2.658 ( 2.576 0.000 -0.699) 2.669 2.725 ( -5.662 0.000 2.226) 6.084 2.796 ( -10.084 0.000 5.843) 11.655 3.013 ( 4.026 0.000 6.655) 7.778 3.104 ( -3.168 0.000 -5.430) 6.287 3.201 ( -3.804 0.000 -8.185) 9.026 3.355 ( 32.239 0.000 9.176) 33.519 3.360 ( -2.732 0.000 -3.644) 4.555 3.600 ( 4.344 0.000 -6.682) 7.970 3.783 ( 3.903 0.000 10.476) 11.179 4.019 ( -2.671 0.000 2.834) 3.895 4.204 ( 5.643 0.000 -5.155) 7.643 4.256 ( -6.781 0.000 13.275) 14.906 4.309 ( 3.289 0.000 -6.070) 6.904 4.423 ( -14.358 0.000 2.096) 14.510 4.596 ( 2.604 0.000 6.130) 6.660 4.748 ( -10.716 0.000 -5.672) 12.125 4.909 ( 5.072 0.000 -16.443) 17.207 5.131 ( -2.406 0.000 -5.916) 6.387 5.139 ( 0.222 0.000 -6.505) 6.509 5.495 ( 1.154 0.000 -5.114) 5.243 5.669 ( -8.119 0.000 -9.457) 12.464 5.676 ( 7.291 0.000 -6.519) 9.780 6.120 ( 3.135 0.000 -5.130) 6.012 6.319 ( 5.779 0.000 2.657) 6.360 6.430 ( 13.560 0.000 -0.343) 13.564 6.498 ( -6.046 0.000 -0.887) 6.111 6.548 ( -3.041 0.000 1.880) 3.576 6.700 ( 1.260 0.000 3.004) 3.257 6.849 ( 8.455 0.000 13.369) 15.819 6.928 ( -0.466 0.000 7.160) 7.175 7.046 ( -7.136 0.000 -5.158) 8.805 7.208 ( -4.337 0.000 -8.098) 9.186 7.398 ( -0.561 0.000 -1.123) 1.255 7.485 ( -6.004 0.000 3.235) 6.820 7.673 ( -4.144 0.000 10.019) 10.842 7.960 ( 5.404 0.000 -5.675) 7.836 8.003 ( -6.518 0.000 8.778) 10.933 8.204 ( -2.354 0.000 1.770) 2.946 8.321 ( 0.204 0.000 2.500) 2.509 8.455 ( -4.857 0.000 -8.949) 10.182 8.756 ( 19.179 0.000 -14.167) 23.844 8.863 ( 12.074 0.000 -2.811) 12.397 9.195 ( -1.868 0.000 10.058) 10.230 9.399 ( 2.132 0.000 11.862) 12.052 9.775 ( -0.855 0.000 6.125) 6.184 9.971 ( 32.855 0.000 19.523) 38.218 10.247 ( -29.361 0.000 -18.794) 34.861 10.272 ( 24.088 0.000 6.931) 25.066 11.704 ( -18.638 0.000 10.258) 21.274 11.997 ( 0.637 0.000 0.765) 0.996 12.000 ( -21.990 0.000 8.754) 23.669 12.154 ( -3.459 0.000 1.189) 3.657 14.163 ( 14.052 0.000 -2.583) 14.288 14.267 ( 3.404 0.000 -4.911) 5.976 14.490 ( -3.446 0.000 -13.958) 14.377 14.726 ( -5.051 0.000 -3.530) 6.162 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 15.642 0.000 -0.604) 15.654 2.109 ( 20.639 0.000 2.297) 20.767 2.256 ( -14.317 0.000 -2.802) 14.588 2.494 ( -18.024 0.000 2.745) 18.232 2.682 ( 3.034 0.000 1.403) 3.343 2.747 ( -0.345 0.000 -0.113) 0.363 3.067 ( 0.266 0.000 -7.115) 7.120 3.083 ( 5.009 0.000 5.833) 7.689 3.112 ( -3.881 0.000 -9.329) 10.104 3.230 ( -8.640 0.000 6.605) 10.876 3.734 ( 8.004 0.000 0.679) 8.033 3.815 ( 6.967 0.000 4.742) 8.428 3.982 ( -0.823 0.000 3.848) 3.935 3.985 ( 13.511 0.000 2.655) 13.769 4.133 ( -12.479 0.000 2.830) 12.796 4.220 ( -8.030 0.000 -0.219) 8.033 4.338 ( 16.765 0.000 13.933) 21.799 4.371 ( 7.200 0.000 -8.042) 10.794 4.543 ( -9.609 0.000 -7.642) 12.277 4.596 ( -5.241 0.000 8.332) 9.843 5.019 ( 4.664 0.000 -16.614) 17.256 5.088 ( -2.415 0.000 -11.003) 11.265 5.247 ( 9.677 0.000 -9.333) 13.444 5.469 ( -11.514 0.000 -11.116) 16.004 5.529 ( 3.800 0.000 -6.008) 7.109 5.676 ( -8.383 0.000 -2.456) 8.735 6.151 ( 4.896 0.000 -13.086) 13.972 6.292 ( -7.012 0.000 -7.375) 10.176 6.496 ( 3.718 0.000 7.724) 8.572 6.530 ( 0.037 0.000 3.430) 3.430 6.630 ( 6.543 0.000 -0.869) 6.601 6.704 ( -1.351 0.000 1.391) 1.939 6.916 ( -0.087 0.000 1.806) 1.808 6.946 ( -3.204 0.000 0.631) 3.265 6.992 ( 6.575 0.000 7.447) 9.934 7.117 ( -5.590 0.000 -0.320) 5.600 7.388 ( -0.079 0.000 -0.222) 0.236 7.408 ( -2.231 0.000 2.616) 3.438 7.689 ( 5.666 0.000 11.008) 12.381 7.847 ( -8.802 0.000 10.776) 13.914 8.055 ( 4.402 0.000 -1.682) 4.713 8.139 ( -3.992 0.000 0.591) 4.035 8.328 ( 1.402 0.000 1.631) 2.151 8.378 ( -3.231 0.000 -0.539) 3.276 9.077 ( 8.047 0.000 -0.325) 8.053 9.166 ( -1.875 0.000 4.418) 4.799 9.180 ( 23.525 0.000 -15.342) 28.086 9.466 ( 5.724 0.000 8.024) 9.857 9.631 ( -9.696 0.000 3.747) 10.395 9.684 ( -27.123 0.000 -16.854) 31.933 10.625 ( 32.403 0.000 17.642) 36.894 10.874 ( 32.361 0.000 10.675) 34.076 11.230 ( -27.931 0.000 14.964) 31.687 11.490 ( -28.954 0.000 10.435) 30.777 12.035 ( 2.593 0.000 0.614) 2.665 12.091 ( -3.011 0.000 0.565) 3.063 14.340 ( 3.882 0.000 -8.397) 9.251 14.413 ( 11.066 0.000 -4.607) 11.987 14.418 ( -3.810 0.000 -11.637) 12.245 14.600 ( -7.812 0.000 -4.551) 9.041 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 19.284 17.729) 26.195 0.853 ( 0.000 19.653 19.815) 27.908 1.481 ( 0.000 35.460 30.811) 46.976 2.141 ( 0.000 -4.652 8.883) 10.028 2.401 ( 0.000 3.030 -5.814) 6.556 2.793 ( 0.000 -8.805 2.511) 9.156 2.899 ( 0.000 -13.801 -3.486) 14.234 3.404 ( 0.000 -6.908 -4.624) 8.313 3.466 ( 0.000 6.189 -10.618) 12.290 3.603 ( 0.000 -8.122 -8.922) 12.065 3.677 ( 0.000 9.349 -13.962) 16.803 3.824 ( 0.000 11.488 -8.815) 14.480 3.847 ( 0.000 -3.431 3.132) 4.645 3.863 ( 0.000 5.165 0.187) 5.168 4.236 ( 0.000 11.775 -12.832) 17.415 4.248 ( 0.000 4.430 1.712) 4.750 4.542 ( 0.000 -3.997 -6.319) 7.477 4.622 ( 0.000 13.775 0.916) 13.806 4.815 ( 0.000 -6.589 7.890) 10.279 4.984 ( 0.000 -2.888 8.050) 8.552 5.035 ( 0.000 -3.035 -17.320) 17.584 5.172 ( 0.000 -1.551 11.313) 11.419 5.223 ( 0.000 -5.964 1.381) 6.122 5.423 ( 0.000 -3.183 4.116) 5.203 5.644 ( 0.000 -12.300 8.034) 14.692 5.662 ( 0.000 -3.770 -0.695) 3.834 5.710 ( 0.000 -6.742 -7.070) 9.769 5.906 ( 0.000 11.111 2.149) 11.317 6.242 ( 0.000 9.808 2.144) 10.040 6.460 ( 0.000 -9.258 15.642) 18.177 6.545 ( 0.000 -0.115 1.716) 1.720 6.554 ( 0.000 2.212 -11.776) 11.982 6.793 ( 0.000 9.878 -1.143) 9.944 6.858 ( 0.000 12.106 2.683) 12.399 6.965 ( 0.000 4.498 5.048) 6.762 7.367 ( 0.000 -2.243 -11.199) 11.421 7.435 ( 0.000 -1.619 2.510) 2.987 7.744 ( 0.000 -3.189 -6.607) 7.336 7.761 ( 0.000 1.708 -12.037) 12.157 7.939 ( 0.000 1.508 -4.039) 4.311 8.119 ( 0.000 -2.611 1.838) 3.193 8.155 ( 0.000 -1.782 -6.809) 7.038 8.250 ( 0.000 6.926 5.463) 8.822 8.398 ( 0.000 3.016 -0.690) 3.094 8.560 ( 0.000 0.455 16.864) 16.871 8.605 ( 0.000 -2.826 -6.596) 7.175 8.770 ( 0.000 9.838 -0.658) 9.860 9.005 ( 0.000 4.221 16.250) 16.789 9.158 ( 0.000 -6.037 14.108) 15.345 9.923 ( 0.000 -16.271 17.499) 23.895 9.978 ( 0.000 -5.849 -2.605) 6.403 11.583 ( 0.000 -19.436 -2.397) 19.583 11.875 ( 0.000 2.998 -9.451) 9.915 11.999 ( 0.000 -1.010 -23.007) 23.029 12.119 ( 0.000 -0.754 -7.718) 7.755 12.332 ( 0.000 0.489 -12.838) 12.847 13.606 ( 0.000 8.837 19.972) 21.839 14.296 ( 0.000 10.917 1.584) 11.032 14.648 ( 0.000 -6.772 4.701) 8.244 14.865 ( 0.000 -0.324 -0.066) 0.331 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 13.689 15.238 15.453) 25.659 0.999 ( 14.262 18.787 11.663) 26.313 1.844 ( 31.287 25.225 25.074) 47.369 2.192 ( 5.057 -4.010 6.751) 9.340 2.440 ( 5.834 0.806 0.455) 5.907 2.833 ( 3.291 -9.165 2.677) 10.099 2.908 ( 0.458 -14.168 -2.385) 14.375 3.289 ( -9.770 -0.335 -6.236) 11.596 3.413 ( -11.535 4.712 -5.075) 13.454 3.515 ( -4.273 5.560 -15.034) 16.589 3.635 ( -1.073 -0.175 -7.694) 7.771 3.706 ( -10.146 4.164 0.689) 10.988 3.855 ( 2.222 -6.329 -2.974) 7.338 3.934 ( 1.033 2.726 -4.726) 5.553 4.069 ( -3.548 11.973 0.276) 12.491 4.406 ( 5.349 13.474 -7.663) 16.398 4.470 ( -5.472 -4.719 -4.508) 8.517 4.557 ( -10.845 1.188 1.992) 11.090 4.716 ( -0.141 5.280 3.981) 6.614 4.947 ( -6.148 -5.394 -6.848) 10.667 5.049 ( -3.801 -9.480 9.118) 13.692 5.178 ( -1.257 -8.998 2.259) 9.362 5.235 ( 4.912 -3.553 -0.575) 6.089 5.419 ( 0.437 -4.481 -2.676) 5.237 5.545 ( 3.728 5.785 2.947) 7.486 5.788 ( 8.388 -1.860 4.427) 9.665 5.935 ( 9.478 -0.852 -3.894) 10.282 5.967 ( 6.952 10.993 4.944) 13.915 6.044 ( -10.039 3.388 2.829) 10.966 6.429 ( 0.791 -2.099 7.643) 7.965 6.542 ( 2.166 3.131 1.750) 4.190 6.699 ( 4.770 0.832 -1.017) 4.948 6.743 ( -1.149 5.296 3.251) 6.319 6.922 ( 2.600 7.570 3.412) 8.701 7.158 ( 9.526 -5.347 -7.891) 13.476 7.291 ( -5.810 -3.110 -10.018) 11.991 7.455 ( 0.882 -2.476 0.041) 2.629 7.688 ( -2.573 1.210 -10.957) 11.320 7.869 ( 6.887 -0.539 -6.918) 9.777 7.917 ( -4.561 -3.887 6.198) 8.621 8.011 ( -8.366 0.714 -6.631) 10.699 8.161 ( 2.433 -1.129 -1.413) 3.032 8.288 ( 2.388 4.983 9.168) 10.704 8.422 ( 3.079 5.701 -7.717) 10.076 8.576 ( -0.753 -3.249 -8.972) 9.572 8.664 ( 4.410 2.275 -0.245) 4.968 8.890 ( 13.617 7.568 14.477) 21.267 9.076 ( 9.152 -1.522 16.512) 18.940 9.242 ( 6.835 -2.340 15.721) 17.301 9.600 ( -16.595 0.229 17.762) 24.309 10.075 ( 0.408 -9.957 -1.630) 10.097 11.435 ( -21.390 1.312 -18.473) 28.293 11.659 ( -2.765 -18.293 0.568) 18.509 12.004 ( -2.969 -7.537 -8.125) 11.473 12.210 ( 2.239 -2.284 -4.934) 5.880 12.409 ( 2.058 -0.962 -7.935) 8.254 13.707 ( 9.647 8.502 13.299) 18.499 14.306 ( 1.011 10.719 0.735) 10.792 14.632 ( -1.346 -2.868 -2.846) 4.259 14.851 ( -1.389 -0.049 -0.798) 1.602 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 19.420 9.371 7.598) 22.862 1.353 ( 19.877 12.449 7.129) 24.513 2.327 ( 9.344 -5.771 4.658) 11.930 2.515 ( 23.417 7.447 10.289) 26.640 2.613 ( 13.296 -4.730 5.394) 15.108 2.827 ( -2.214 -7.272 -0.554) 7.622 2.970 ( 3.759 -6.684 4.754) 9.022 3.062 ( -9.758 4.938 -4.337) 11.765 3.206 ( -7.284 -0.641 -2.599) 7.760 3.360 ( -6.953 11.221 -7.486) 15.176 3.525 ( -8.028 -1.328 -6.680) 10.528 3.607 ( -3.463 6.716 -3.403) 8.288 3.865 ( -2.870 -5.818 4.937) 8.152 3.932 ( 0.946 -0.966 -5.211) 5.383 4.089 ( 4.317 0.373 -2.834) 5.177 4.235 ( -9.921 0.530 -0.251) 9.938 4.408 ( -7.855 -7.935 6.774) 13.060 4.531 ( 2.428 10.195 -7.047) 12.629 4.708 ( 0.136 7.192 3.085) 7.827 4.817 ( -4.366 -3.078 -7.005) 8.810 4.933 ( -2.539 -2.622 -3.295) 4.917 5.227 ( 2.141 -10.598 -0.336) 10.817 5.339 ( 4.121 6.609 -4.186) 8.842 5.432 ( -1.459 3.219 -6.741) 7.611 5.604 ( 0.976 7.265 1.441) 7.470 5.802 ( -3.410 2.204 2.217) 4.626 6.000 ( 9.270 1.188 -1.945) 9.546 6.172 ( 8.737 2.500 -1.072) 9.151 6.197 ( 14.181 7.239 3.900) 16.393 6.454 ( 1.072 -8.932 6.073) 10.854 6.556 ( -1.529 -0.440 -2.139) 2.666 6.746 ( 1.589 5.241 4.101) 6.842 6.789 ( 4.257 4.206 5.834) 8.358 6.955 ( 0.387 3.692 6.897) 7.833 7.161 ( -7.348 -3.646 -8.520) 11.826 7.224 ( -0.642 -4.140 -8.314) 9.310 7.438 ( -1.671 -0.371 -2.144) 2.744 7.605 ( -8.111 -4.913 0.422) 9.492 7.786 ( -4.787 -1.362 9.131) 10.400 7.878 ( -2.656 3.164 -9.149) 10.039 8.007 ( 3.106 -4.990 -4.292) 7.278 8.198 ( 1.240 -1.648 -0.087) 2.064 8.292 ( -2.186 1.460 8.167) 8.579 8.449 ( -2.268 -4.527 -14.184) 15.060 8.627 ( 6.452 2.139 -4.440) 8.119 8.785 ( 10.080 15.378 -8.720) 20.350 9.184 ( 7.139 -3.486 19.069) 20.658 9.265 ( 3.220 -4.072 11.364) 12.493 9.460 ( 18.561 -3.443 18.334) 26.315 9.512 ( 15.597 9.535 17.061) 25.005 10.043 ( -1.647 -7.055 -2.200) 7.571 10.922 ( -27.588 7.084 -19.580) 34.564 11.669 ( 1.836 -21.187 2.150) 21.375 11.931 ( -4.946 -12.330 -4.307) 13.966 12.127 ( -9.759 -3.729 5.048) 11.603 12.318 ( -10.914 -1.955 3.114) 11.517 13.952 ( 13.988 7.314 2.811) 16.033 14.336 ( 2.002 10.147 -1.528) 10.455 14.601 ( -1.802 1.829 -10.586) 10.893 14.811 ( -2.684 0.361 -2.084) 3.417 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 18.778 3.858 3.470) 19.481 1.746 ( 19.037 7.758 4.333) 21.009 2.491 ( 4.903 -6.406 2.835) 8.551 2.543 ( -7.966 -7.685 -0.759) 11.095 2.673 ( -2.990 -4.611 3.436) 6.481 2.783 ( -10.303 3.282 0.609) 10.830 2.960 ( -0.417 -2.968 -3.927) 4.940 3.127 ( 0.730 1.011 3.487) 3.703 3.178 ( -0.289 -8.636 -3.991) 9.519 3.368 ( -4.920 3.810 -6.932) 9.315 3.461 ( 15.837 3.619 0.060) 16.245 3.547 ( 0.610 2.233 4.812) 5.340 3.813 ( 0.610 -2.283 3.226) 3.999 3.993 ( 6.327 2.041 -0.021) 6.648 4.092 ( -2.519 0.763 5.204) 5.832 4.169 ( -0.331 -8.980 2.062) 9.220 4.336 ( 4.329 -3.372 -4.684) 7.215 4.482 ( -5.284 10.373 -1.062) 11.690 4.707 ( -5.094 -0.033 -1.495) 5.309 4.761 ( -0.162 5.449 2.798) 6.128 4.973 ( 5.060 7.482 -14.299) 16.913 5.243 ( 0.634 -2.568 -4.681) 5.377 5.307 ( -3.840 2.493 -6.871) 8.256 5.412 ( -0.711 15.376 -7.791) 17.252 5.691 ( 5.776 1.207 -3.406) 6.813 5.751 ( -3.351 1.537 -6.604) 7.563 6.139 ( 1.927 1.562 -5.007) 5.588 6.301 ( 5.833 0.923 1.641) 6.129 6.425 ( 0.505 -2.997 0.094) 3.041 6.472 ( -3.735 -1.158 0.942) 4.022 6.518 ( 10.365 0.814 3.175) 10.871 6.784 ( 1.780 3.261 2.804) 4.654 6.866 ( 3.297 2.910 7.881) 9.025 6.941 ( -1.251 0.926 8.421) 8.563 7.013 ( -6.246 -2.655 -5.967) 9.037 7.198 ( -1.951 0.023 -6.465) 6.752 7.411 ( -0.939 -0.056 1.058) 1.415 7.472 ( -4.354 -1.156 1.877) 4.880 7.678 ( -4.124 0.454 10.514) 11.303 7.866 ( -1.147 -4.792 -0.254) 4.934 8.033 ( 0.580 -1.493 -4.720) 4.984 8.201 ( -0.496 -4.353 1.702) 4.700 8.235 ( -3.374 -1.254 6.125) 7.105 8.369 ( -4.466 -7.041 -8.105) 11.628 8.800 ( 9.977 1.937 -2.264) 10.412 9.047 ( 15.595 14.768 -9.678) 23.557 9.155 ( -3.083 -1.635 9.816) 10.418 9.355 ( 4.387 -2.867 8.498) 9.984 9.709 ( -1.159 -5.725 6.743) 8.921 10.022 ( 30.880 4.547 19.277) 36.685 10.215 ( 19.299 -2.574 4.179) 19.913 10.394 ( -20.947 9.900 -14.707) 27.442 11.683 ( -8.250 -8.008 6.149) 13.038 11.762 ( -6.613 -15.539 1.665) 16.970 11.887 ( -14.778 -12.142 3.806) 19.502 12.037 ( -13.485 -4.854 7.654) 16.248 14.226 ( 13.052 5.619 -2.992) 14.522 14.384 ( 2.804 9.239 -4.531) 10.665 14.560 ( -2.418 4.649 -12.136) 13.219 14.741 ( -4.511 1.114 -3.510) 5.823 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 15.977 -0.626 1.334) 16.045 2.086 ( 14.759 5.062 2.344) 15.778 2.332 ( -12.216 -3.321 -0.559) 12.672 2.384 ( -12.537 1.748 1.591) 12.758 2.658 ( 3.054 -3.659 2.879) 5.568 2.725 ( -1.353 -3.455 2.609) 4.536 2.954 ( 2.876 -6.896 -3.940) 8.447 3.055 ( -5.437 -6.339 -6.186) 10.393 3.159 ( -1.138 -2.241 5.799) 6.320 3.206 ( -6.288 2.389 -0.879) 6.783 3.592 ( 3.844 -4.455 -0.296) 5.892 3.654 ( -0.470 -7.989 0.224) 8.006 3.912 ( 6.480 -4.353 2.022) 8.064 4.026 ( -4.194 -4.396 1.302) 6.213 4.143 ( 8.493 5.432 1.497) 10.192 4.333 ( 6.409 4.099 -2.100) 7.892 4.353 ( -2.604 9.811 -0.475) 10.162 4.523 ( 12.345 2.653 -0.749) 12.649 4.545 ( -7.859 4.557 1.198) 9.163 4.732 ( -3.734 3.687 5.197) 7.386 5.101 ( 6.658 10.197 -12.726) 17.614 5.214 ( -3.849 -3.779 -8.497) 10.064 5.308 ( 2.434 3.620 -11.393) 12.200 5.368 ( -3.196 14.558 -7.751) 16.800 5.672 ( -2.818 4.290 -9.587) 10.875 5.703 ( -5.051 2.393 -3.698) 6.702 6.146 ( 4.263 -1.411 -10.636) 11.545 6.284 ( -7.623 -1.797 -6.630) 10.261 6.442 ( 4.798 -0.991 8.234) 9.581 6.482 ( 0.496 -1.115 5.850) 5.976 6.707 ( 6.855 3.467 -0.238) 7.685 6.794 ( -1.685 4.987 1.157) 5.390 6.901 ( 0.148 -1.693 3.305) 3.717 6.927 ( -2.541 -1.152 -1.046) 2.979 6.975 ( 5.906 0.194 5.577) 8.125 7.114 ( -6.610 0.841 -1.139) 6.760 7.405 ( 0.200 0.903 1.569) 1.821 7.419 ( -1.390 0.763 1.659) 2.295 7.675 ( 3.951 -0.925 8.635) 9.541 7.790 ( -6.063 -3.977 6.476) 9.722 8.069 ( 3.211 -0.955 -1.745) 3.777 8.151 ( -4.680 -1.118 2.058) 5.233 8.218 ( 2.510 -7.529 3.098) 8.519 8.287 ( -3.939 -7.610 1.015) 8.629 8.986 ( 7.799 -2.348 0.029) 8.145 9.095 ( -3.598 -3.410 4.109) 6.438 9.370 ( 14.368 2.896 -2.736) 14.910 9.483 ( 11.630 9.944 -3.766) 15.759 9.578 ( -8.854 -4.794 4.321) 10.957 9.866 ( -23.302 14.226 -15.328) 31.310 10.655 ( 31.744 2.647 17.487) 36.338 10.840 ( 31.764 -3.228 9.585) 33.336 11.250 ( -27.476 1.690 14.353) 31.045 11.442 ( -27.860 -4.984 8.216) 29.471 11.798 ( 3.689 -19.953 1.161) 20.325 11.882 ( -4.879 -16.678 2.123) 17.506 14.442 ( 3.890 7.598 -7.658) 11.468 14.459 ( 9.331 4.294 -4.931) 11.394 14.506 ( -2.932 6.550 -10.518) 12.733 14.627 ( -7.029 2.306 -4.653) 8.739 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 20.113 13.727) 24.351 1.327 ( 0.000 23.099 11.842) 25.957 1.966 ( 0.000 -11.727 8.984) 14.773 2.222 ( 0.000 -15.794 3.881) 16.264 2.277 ( 0.000 30.148 8.451) 31.311 2.624 ( 0.000 -10.561 -2.711) 10.904 2.674 ( 0.000 3.713 3.631) 5.193 3.296 ( 0.000 -2.873 -4.230) 5.113 3.418 ( 0.000 -8.265 -3.174) 8.854 3.506 ( 0.000 -1.700 -15.756) 15.848 3.787 ( 0.000 -4.648 -1.210) 4.802 3.879 ( 0.000 -2.300 -6.709) 7.092 3.972 ( 0.000 16.286 -17.322) 23.776 4.097 ( 0.000 11.665 -3.590) 12.205 4.296 ( 0.000 0.882 4.148) 4.240 4.435 ( 0.000 -3.008 12.185) 12.550 4.514 ( 0.000 -0.231 -11.298) 11.300 4.647 ( 0.000 1.006 -0.026) 1.007 4.794 ( 0.000 -2.110 -2.022) 2.922 4.967 ( 0.000 -5.949 -11.475) 12.925 5.021 ( 0.000 8.357 2.979) 8.872 5.090 ( 0.000 -1.412 0.134) 1.418 5.168 ( 0.000 2.360 -1.455) 2.773 5.383 ( 0.000 1.400 8.411) 8.527 5.485 ( 0.000 -2.120 11.471) 11.665 5.555 ( 0.000 -8.506 -7.472) 11.322 5.582 ( 0.000 -4.038 6.607) 7.743 6.015 ( 0.000 -14.965 7.705) 16.832 6.242 ( 0.000 5.863 2.581) 6.406 6.381 ( 0.000 4.247 1.995) 4.692 6.563 ( 0.000 -0.081 4.700) 4.701 6.580 ( 0.000 -0.347 2.016) 2.046 7.012 ( 0.000 7.754 -7.051) 10.480 7.098 ( 0.000 6.835 -0.053) 6.836 7.137 ( 0.000 12.053 2.205) 12.253 7.329 ( 0.000 0.623 -7.406) 7.432 7.392 ( 0.000 -2.233 -0.972) 2.435 7.690 ( 0.000 -3.987 -5.294) 6.627 7.798 ( 0.000 1.403 -10.312) 10.407 7.872 ( 0.000 -4.289 5.964) 7.346 8.058 ( 0.000 -1.414 -1.055) 1.765 8.111 ( 0.000 -1.893 -8.685) 8.889 8.365 ( 0.000 -2.444 -3.643) 4.387 8.414 ( 0.000 6.406 1.799) 6.654 8.486 ( 0.000 -6.438 -8.691) 10.816 8.590 ( 0.000 0.179 19.626) 19.627 8.878 ( 0.000 -0.529 16.050) 16.059 8.992 ( 0.000 -8.143 14.365) 16.513 9.397 ( 0.000 27.822 1.928) 27.888 9.776 ( 0.000 1.946 10.529) 10.707 9.842 ( 0.000 -6.042 -1.519) 6.230 10.978 ( 0.000 -33.790 2.310) 33.868 11.933 ( 0.000 2.645 -8.832) 9.219 12.019 ( 0.000 0.299 -16.541) 16.544 12.120 ( 0.000 2.001 -14.346) 14.485 12.293 ( 0.000 -3.508 -16.891) 17.252 13.860 ( 0.000 13.987 16.308) 21.485 14.453 ( 0.000 -11.337 9.163) 14.577 14.545 ( 0.000 10.964 1.128) 11.022 14.836 ( 0.000 -2.682 0.385) 2.710 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 8.561 18.171 12.522) 23.670 1.443 ( 10.138 21.826 7.913) 25.333 2.013 ( 4.476 -11.726 8.011) 14.890 2.289 ( 5.918 -12.937 3.337) 14.613 2.430 ( 12.905 15.029 6.673) 20.903 2.610 ( -1.017 -11.514 -2.011) 11.732 2.716 ( 5.504 9.417 5.242) 12.102 3.246 ( -3.615 -0.735 -4.107) 5.520 3.441 ( -0.420 -7.526 -3.127) 8.160 3.556 ( 3.604 -1.022 -8.854) 9.614 3.688 ( -11.067 4.564 -11.782) 16.797 3.769 ( -7.368 0.539 -2.972) 7.963 3.830 ( -6.055 7.212 -3.060) 9.901 4.064 ( -5.596 5.539 -9.482) 12.325 4.289 ( -4.413 2.818 1.223) 5.377 4.401 ( -5.880 1.990 1.091) 6.303 4.486 ( -7.664 -6.493 3.140) 10.524 4.628 ( 0.190 -2.070 -6.742) 7.055 4.717 ( -3.634 -3.061 -4.543) 6.574 4.911 ( 2.206 -2.006 7.631) 8.193 4.960 ( -1.573 10.219 -2.018) 10.534 5.060 ( -4.638 -0.449 -3.111) 5.603 5.223 ( 5.754 0.701 -7.003) 9.090 5.312 ( -2.703 -0.704 1.705) 3.273 5.644 ( 13.123 3.517 9.162) 16.386 5.707 ( 11.493 -5.471 2.882) 13.051 5.830 ( 17.391 -5.538 4.551) 18.810 5.958 ( -3.777 -13.137 8.771) 16.241 6.259 ( 2.659 11.734 -1.850) 12.173 6.420 ( 1.688 4.873 4.084) 6.578 6.575 ( -0.643 -2.110 1.317) 2.569 6.667 ( 8.450 -0.773 1.031) 8.548 6.936 ( -5.052 8.264 -3.170) 10.192 7.101 ( -1.615 6.484 0.726) 6.721 7.170 ( 0.355 4.918 -1.721) 5.223 7.215 ( -5.289 -1.990 -8.059) 9.843 7.409 ( -0.156 -1.177 -1.066) 1.596 7.620 ( -6.920 -6.285 -2.969) 9.809 7.847 ( -2.086 -1.424 4.940) 5.548 7.869 ( 4.271 -0.709 -5.308) 6.849 8.058 ( -1.681 2.369 -7.204) 7.768 8.108 ( 0.682 -1.161 -2.189) 2.570 8.344 ( -2.085 -5.226 -4.899) 7.460 8.399 ( -4.581 -2.508 -5.375) 7.494 8.525 ( 7.159 2.389 -0.833) 7.593 8.717 ( 13.100 0.445 15.252) 20.110 8.993 ( 9.185 -3.463 16.328) 19.051 9.017 ( 4.670 -3.112 12.915) 14.082 9.436 ( 2.001 20.568 4.034) 21.055 9.688 ( -3.463 10.296 8.849) 14.011 9.875 ( 0.595 -7.640 0.509) 7.680 10.996 ( 1.757 -33.088 2.060) 33.199 11.597 ( -22.727 5.408 -16.749) 28.745 11.853 ( -12.610 -6.378 -11.027) 17.925 12.220 ( 1.873 2.304 -6.570) 7.209 12.360 ( 0.909 -3.179 -7.277) 7.993 13.950 ( 8.448 13.310 10.464) 18.921 14.496 ( 3.599 -9.363 2.814) 10.418 14.551 ( 0.564 10.535 0.475) 10.561 14.828 ( -0.783 -2.369 -0.212) 2.504 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 12.505 12.971 9.825) 20.522 1.686 ( 13.789 17.894 3.664) 22.886 2.129 ( 6.806 -12.103 5.863) 15.072 2.400 ( 3.458 -10.375 3.082) 11.362 2.533 ( -1.812 -7.914 1.074) 8.189 2.689 ( 7.214 -14.991 2.684) 16.851 2.930 ( 11.116 13.078 -1.545) 17.233 3.181 ( -4.395 5.289 -1.123) 6.968 3.297 ( -8.340 7.189 0.119) 11.012 3.531 ( -6.282 -0.489 -10.664) 12.387 3.547 ( -5.125 1.980 0.477) 5.515 3.663 ( -2.367 1.617 1.238) 3.123 3.796 ( 3.030 5.769 -2.624) 7.025 3.951 ( -4.902 -2.119 -12.040) 13.171 4.129 ( -7.871 -3.741 -0.644) 8.738 4.232 ( -9.756 0.961 -2.548) 10.129 4.276 ( -4.399 2.917 6.127) 8.087 4.646 ( -2.281 -5.640 -8.123) 10.149 4.775 ( 6.463 -2.791 -3.555) 7.886 4.891 ( -5.044 10.643 2.608) 12.063 4.956 ( 2.576 1.034 0.414) 2.807 5.093 ( 5.853 5.690 -2.373) 8.501 5.320 ( 6.545 -11.661 0.286) 13.375 5.399 ( 7.471 0.262 -4.897) 8.937 5.755 ( -3.904 8.168 0.684) 9.078 5.873 ( 5.781 0.883 -2.173) 6.239 6.044 ( 13.374 0.776 8.859) 16.060 6.175 ( 14.122 -3.365 -0.175) 14.519 6.294 ( 0.583 -0.270 -0.538) 0.838 6.485 ( 5.035 14.443 3.825) 15.767 6.533 ( -3.521 -2.727 -0.050) 4.454 6.821 ( 3.974 1.680 3.229) 5.390 6.855 ( -0.104 2.506 -1.629) 2.991 7.026 ( -6.027 -0.402 -0.035) 6.041 7.079 ( -4.024 -0.908 -4.508) 6.111 7.205 ( -0.931 0.736 -3.700) 3.886 7.389 ( -1.448 -2.365 0.489) 2.816 7.490 ( -4.616 -4.738 2.055) 6.927 7.777 ( -4.378 0.841 7.668) 8.870 7.873 ( -3.928 -2.627 -2.542) 5.367 8.028 ( -1.157 5.248 -6.956) 8.790 8.118 ( 0.057 -4.078 -2.058) 4.568 8.276 ( -6.250 -8.830 -10.738) 15.243 8.288 ( -4.101 -4.300 0.780) 5.993 8.704 ( 9.323 5.871 2.059) 11.208 9.051 ( 14.316 -5.594 10.962) 18.879 9.077 ( 7.408 5.047 7.678) 11.803 9.318 ( 14.912 0.900 10.709) 18.381 9.413 ( 1.691 7.366 6.405) 9.907 9.775 ( 10.638 12.908 9.730) 19.351 9.886 ( 3.834 -3.018 3.542) 6.029 11.031 ( -2.359 -20.746 -3.556) 21.180 11.145 ( -17.826 -1.731 -10.828) 20.929 11.620 ( -10.707 -14.195 -9.106) 19.977 12.127 ( -10.866 2.123 4.644) 12.006 12.261 ( -10.770 -3.188 3.463) 11.754 14.159 ( 11.634 11.159 1.127) 16.160 14.560 ( 1.809 4.377 -3.274) 5.757 14.574 ( 2.364 0.418 -3.790) 4.487 14.804 ( -1.697 -1.467 -1.694) 2.812 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 11.683 6.936 7.779) 15.656 1.976 ( 15.207 12.689 1.401) 19.856 2.261 ( 5.285 -12.044 3.768) 13.682 2.389 ( -3.704 -6.386 5.248) 9.058 2.512 ( 0.409 -8.879 2.915) 9.354 2.777 ( 0.767 -19.003 1.090) 19.050 2.939 ( -14.831 6.419 -3.710) 16.581 2.954 ( -5.289 1.241 -5.505) 7.734 3.268 ( -3.483 8.882 3.530) 10.173 3.379 ( -8.645 -0.669 -4.453) 9.747 3.545 ( 5.975 3.422 2.450) 7.308 3.641 ( -0.409 0.765 0.802) 1.181 3.849 ( 0.867 10.114 -4.473) 11.093 3.888 ( -1.941 -10.965 -0.447) 11.144 4.095 ( 5.405 -3.514 -11.683) 13.344 4.171 ( 3.372 4.578 -3.703) 6.786 4.323 ( 7.229 0.713 -1.005) 7.333 4.600 ( 1.212 5.128 0.848) 5.337 4.795 ( -2.985 3.141 1.326) 4.531 4.854 ( 0.004 3.002 3.495) 4.607 4.993 ( -3.644 -2.372 -0.208) 4.353 5.213 ( 9.673 7.963 -14.178) 18.921 5.484 ( 4.247 -3.021 -7.372) 9.028 5.507 ( 6.670 -9.256 3.874) 12.048 5.721 ( 1.740 16.358 -6.248) 17.597 5.910 ( -2.908 8.277 -8.743) 12.385 6.169 ( -3.602 -0.666 -4.998) 6.196 6.291 ( -2.470 -7.448 1.279) 7.950 6.391 ( 6.982 5.107 -0.744) 8.683 6.467 ( 3.493 0.768 6.006) 6.990 6.639 ( 8.160 10.000 4.413) 13.640 6.790 ( -1.868 -0.330 0.795) 2.057 6.904 ( -2.262 -2.890 -2.341) 4.354 6.970 ( 2.883 1.804 4.405) 5.565 7.001 ( -3.720 3.299 2.235) 5.452 7.197 ( 0.681 -3.057 -4.108) 5.166 7.367 ( -0.508 -1.710 3.744) 4.147 7.443 ( -0.844 -1.823 1.072) 2.277 7.687 ( -4.018 0.284 11.555) 12.237 7.777 ( -4.762 -3.597 -1.642) 6.189 7.995 ( -1.874 0.563 -5.484) 5.822 8.087 ( -3.868 -5.303 -2.929) 7.188 8.168 ( -3.334 -7.823 -0.329) 8.510 8.205 ( -4.344 -5.475 0.975) 7.056 8.874 ( 7.767 5.221 3.139) 9.871 9.150 ( 3.064 -2.360 7.286) 8.249 9.196 ( -0.988 1.869 10.148) 10.366 9.527 ( 10.562 8.976 -3.956) 14.414 9.559 ( 4.125 1.828 0.004) 4.512 10.096 ( 25.513 -3.796 5.535) 26.381 10.206 ( 24.796 8.487 17.596) 31.567 10.660 ( -21.021 14.372 -15.036) 29.572 11.157 ( 5.663 -29.438 3.370) 30.166 11.416 ( -10.434 -20.151 -8.061) 24.081 11.811 ( -20.449 2.287 11.567) 23.605 11.957 ( -18.983 -3.565 10.253) 21.868 14.381 ( 10.295 8.076 -4.094) 13.710 14.587 ( 1.289 8.183 -4.227) 9.300 14.615 ( 1.298 -0.111 -8.636) 8.734 14.758 ( -2.994 0.010 -3.479) 4.590 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 10.339 1.698 6.239) 12.195 2.196 ( -9.127 -2.575 4.546) 10.517 2.281 ( 15.233 9.409 -0.437) 17.910 2.423 ( 4.895 -10.082 5.333) 12.411 2.515 ( -1.682 -9.423 6.418) 11.524 2.637 ( -14.571 2.436 0.274) 14.776 2.758 ( -0.143 -14.962 -4.013) 15.492 2.827 ( -6.128 -4.461 -5.335) 9.269 3.231 ( 0.072 7.590 4.309) 8.728 3.259 ( -3.095 5.062 2.511) 6.443 3.607 ( 0.944 -0.341 -0.896) 1.345 3.628 ( -1.097 -1.071 0.408) 1.586 3.857 ( 0.525 3.994 -5.265) 6.629 3.868 ( -0.533 -4.537 -2.087) 5.023 4.242 ( 6.247 -10.138 -13.493) 17.997 4.322 ( 5.015 0.694 -10.306) 11.483 4.375 ( 5.520 0.576 -4.714) 7.282 4.640 ( -11.115 9.269 -1.707) 14.573 4.793 ( 3.142 7.861 7.813) 11.520 4.835 ( -1.415 3.987 6.070) 7.399 4.989 ( 15.464 -0.483 -0.557) 15.481 5.367 ( -15.107 6.388 -1.875) 16.509 5.464 ( 13.335 7.327 -16.199) 22.224 5.642 ( 1.910 -6.802 -4.071) 8.154 5.753 ( -2.017 14.506 -12.508) 19.259 5.801 ( -4.143 7.718 -4.511) 9.853 6.075 ( 0.096 -4.124 -7.374) 8.449 6.176 ( -6.940 -7.592 -2.203) 10.520 6.520 ( 5.044 6.507 4.860) 9.560 6.558 ( 1.783 7.870 4.999) 9.493 6.757 ( 4.242 1.002 1.780) 4.708 6.804 ( 2.821 -0.490 2.048) 3.520 6.865 ( -2.112 -2.253 3.653) 4.784 6.912 ( -4.507 1.293 0.482) 4.714 7.049 ( 5.199 3.971 -1.640) 6.744 7.163 ( -4.941 0.814 -4.544) 6.762 7.398 ( 3.008 -0.909 6.157) 6.912 7.434 ( -0.578 1.029 2.264) 2.554 7.647 ( 0.366 -2.872 8.504) 8.983 7.694 ( -3.657 -5.541 4.097) 7.802 7.974 ( 0.148 -4.190 -2.911) 5.104 8.006 ( -3.094 -6.461 -1.935) 7.420 8.127 ( -1.262 -6.216 4.646) 7.862 8.133 ( -2.280 -4.972 3.789) 6.653 9.007 ( 5.624 4.076 3.829) 7.931 9.102 ( -4.195 4.341 5.386) 8.090 9.285 ( 6.992 -6.369 6.322) 11.376 9.435 ( -7.572 -8.020 5.423) 12.291 9.873 ( 17.221 21.670 -13.385) 30.746 10.228 ( -18.253 18.830 -13.991) 29.724 10.686 ( 27.641 -6.147 4.438) 28.662 10.768 ( 29.109 1.933 15.614) 33.089 11.160 ( -17.112 -17.742 -5.024) 25.156 11.299 ( 6.454 -21.747 6.458) 23.586 11.341 ( -23.917 0.829 14.732) 28.103 11.566 ( -18.049 -9.589 12.309) 23.859 14.558 ( 7.499 4.903 -5.596) 10.563 14.611 ( 1.055 6.293 -6.583) 9.168 14.625 ( -0.190 3.493 -8.498) 9.190 14.681 ( -4.909 2.121 -4.996) 7.318 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 -17.377 10.607) 20.358 1.644 ( 0.000 17.377 10.607) 20.358 1.813 ( 0.000 -21.142 7.818) 22.541 1.813 ( 0.000 21.142 7.818) 22.541 2.480 ( 0.000 -2.956 -3.369) 4.482 2.480 ( 0.000 2.956 -3.369) 4.482 3.188 ( 0.000 -27.815 0.142) 27.816 3.188 ( 0.000 27.815 0.142) 27.816 3.295 ( 0.000 -3.170 -2.961) 4.338 3.295 ( 0.000 3.170 -2.961) 4.338 3.780 ( 0.000 -5.041 -5.727) 7.629 3.780 ( 0.000 5.041 -5.727) 7.629 4.227 ( 0.000 -2.180 -12.095) 12.290 4.227 ( 0.000 2.180 -12.095) 12.290 4.347 ( 0.000 -0.280 10.139) 10.143 4.347 ( 0.000 0.280 10.139) 10.143 4.523 ( 0.000 -7.449 -9.177) 11.820 4.523 ( 0.000 7.449 -9.177) 11.820 4.842 ( 0.000 -4.464 -2.718) 5.226 4.842 ( 0.000 4.464 -2.718) 5.226 5.142 ( 0.000 -3.908 -2.344) 4.557 5.142 ( 0.000 3.908 -2.344) 4.557 5.305 ( 0.000 -14.695 -0.550) 14.706 5.305 ( 0.000 14.695 -0.550) 14.706 5.506 ( 0.000 -3.016 10.561) 10.983 5.506 ( 0.000 3.016 10.561) 10.983 5.603 ( 0.000 -17.453 5.345) 18.253 5.603 ( 0.000 17.453 5.345) 18.253 6.405 ( 0.000 -4.108 2.161) 4.642 6.405 ( 0.000 4.108 2.161) 4.642 6.550 ( 0.000 -0.901 5.685) 5.756 6.550 ( 0.000 0.901 5.685) 5.756 7.129 ( 0.000 -3.221 -9.307) 9.849 7.129 ( 0.000 3.221 -9.307) 9.849 7.317 ( 0.000 -5.445 -0.338) 5.455 7.317 ( 0.000 5.445 -0.338) 5.455 7.503 ( 0.000 -11.937 2.320) 12.160 7.503 ( 0.000 11.937 2.320) 12.160 7.819 ( 0.000 -1.088 -4.751) 4.874 7.819 ( 0.000 1.088 -4.751) 4.874 8.077 ( 0.000 -1.744 -8.416) 8.595 8.077 ( 0.000 1.744 -8.416) 8.595 8.357 ( 0.000 -3.665 -5.715) 6.789 8.357 ( 0.000 3.665 -5.715) 6.789 8.547 ( 0.000 -4.692 12.318) 13.181 8.547 ( 0.000 4.692 12.318) 13.181 8.876 ( 0.000 -1.890 16.799) 16.905 8.876 ( 0.000 1.890 16.799) 16.905 9.726 ( 0.000 -5.304 0.057) 5.304 9.726 ( 0.000 5.304 0.057) 5.304 10.222 ( 0.000 -34.599 4.591) 34.903 10.222 ( 0.000 34.599 4.591) 34.903 11.989 ( 0.000 -2.397 -9.515) 9.813 11.989 ( 0.000 2.397 -9.515) 9.813 12.202 ( 0.000 -4.593 -18.477) 19.040 12.202 ( 0.000 4.593 -18.477) 19.040 14.172 ( 0.000 -14.379 12.592) 19.113 14.172 ( 0.000 14.379 12.592) 19.113 14.737 ( 0.000 -6.692 0.691) 6.728 14.737 ( 0.000 6.692 0.691) 6.728 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 5.385 -16.720 10.002) 20.214 1.700 ( 5.385 16.720 10.002) 20.214 1.908 ( 8.338 -20.674 5.548) 22.972 1.908 ( 8.338 20.674 5.548) 22.972 2.472 ( -0.378 -1.385 -1.503) 2.078 2.472 ( -0.378 1.385 -1.503) 2.078 3.178 ( -0.610 -15.213 -4.869) 15.985 3.178 ( -0.610 15.213 -4.869) 15.985 3.375 ( 6.623 -9.691 3.860) 12.356 3.375 ( 6.623 9.691 3.860) 12.356 3.743 ( -3.574 -3.602 -7.772) 9.282 3.743 ( -3.574 3.602 -7.772) 9.282 4.067 ( -13.064 -8.702 -8.889) 18.039 4.067 ( -13.064 8.702 -8.889) 18.039 4.294 ( -4.334 -5.310 5.705) 8.917 4.294 ( -4.334 5.310 5.705) 8.917 4.510 ( -4.914 -5.718 -5.551) 9.363 4.510 ( -4.914 5.718 -5.551) 9.363 4.780 ( 0.104 -6.436 -0.627) 6.467 4.780 ( 0.104 6.436 -0.627) 6.467 5.119 ( -2.176 -5.537 -5.112) 7.844 5.119 ( -2.176 5.537 -5.112) 7.844 5.329 ( 0.230 -12.515 -0.448) 12.525 5.329 ( 0.230 12.515 -0.448) 12.525 5.641 ( 7.907 -9.186 4.063) 12.783 5.641 ( 7.907 9.186 4.063) 12.783 5.735 ( 16.935 -4.002 10.644) 20.398 5.735 ( 16.935 4.002 10.644) 20.398 6.446 ( 0.633 -6.174 2.018) 6.526 6.446 ( 0.633 6.174 2.018) 6.526 6.599 ( 6.292 -5.966 2.841) 9.124 6.599 ( 6.292 5.966 2.841) 9.124 7.074 ( -5.574 -5.253 -9.158) 11.938 7.074 ( -5.574 5.253 -9.158) 11.938 7.257 ( -5.048 -2.863 -1.311) 5.949 7.257 ( -5.048 2.863 -1.311) 5.949 7.460 ( -2.997 -7.094 3.290) 8.374 7.460 ( -2.997 7.094 3.290) 8.374 7.843 ( 0.835 -1.128 -1.858) 2.328 7.843 ( 0.835 1.128 -1.858) 2.328 8.104 ( 1.367 -2.466 -7.192) 7.725 8.104 ( 1.367 2.466 -7.192) 7.725 8.292 ( -5.593 -3.725 -5.995) 9.005 8.292 ( -5.593 3.725 -5.995) 9.005 8.650 ( 10.111 -6.189 9.650) 15.285 8.650 ( 10.111 6.189 9.650) 15.285 8.958 ( 8.262 -1.380 16.990) 18.943 8.958 ( 8.262 1.380 16.990) 18.943 9.698 ( -2.586 -7.264 0.218) 7.714 9.698 ( -2.586 7.264 0.218) 7.714 10.253 ( 3.281 -34.024 4.760) 34.511 10.253 ( 3.281 34.024 4.760) 34.511 11.722 ( -18.825 -5.969 -14.335) 24.403 11.722 ( -18.825 5.969 -14.335) 24.403 12.286 ( 1.221 -3.507 -6.936) 7.867 12.286 ( 1.221 3.507 -6.936) 7.867 14.244 ( 6.570 -13.366 7.042) 16.474 14.244 ( 6.570 13.366 7.042) 16.474 14.736 ( -0.114 -6.389 0.094) 6.391 14.736 ( -0.114 6.389 0.094) 6.391 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 7.695 -14.329 8.521) 18.362 1.836 ( 7.695 14.329 8.521) 18.362 2.087 ( 8.922 -18.210 1.945) 20.371 2.087 ( 8.922 18.210 1.945) 20.371 2.472 ( -0.083 -3.519 2.079) 4.088 2.472 ( -0.083 3.519 2.079) 4.088 3.147 ( -3.648 -7.636 -5.989) 10.368 3.147 ( -3.648 7.636 -5.989) 10.368 3.477 ( 0.989 -7.542 5.942) 9.652 3.477 ( 0.989 7.542 5.942) 9.652 3.649 ( -5.658 -4.696 -6.972) 10.133 3.649 ( -5.658 4.696 -6.972) 10.133 3.850 ( -4.796 -2.256 -3.861) 6.557 3.850 ( -4.796 2.256 -3.861) 6.557 4.194 ( -5.310 -6.907 -4.981) 10.036 4.194 ( -5.310 6.907 -4.981) 10.036 4.412 ( -1.348 -10.215 -3.630) 10.925 4.412 ( -1.348 10.215 -3.630) 10.925 4.862 ( 5.658 -8.474 3.618) 10.813 4.862 ( 5.658 8.474 3.618) 10.813 5.074 ( -1.797 -9.030 1.838) 9.389 5.074 ( -1.797 9.030 1.838) 9.389 5.335 ( 2.042 -8.843 -5.770) 10.755 5.335 ( 2.042 8.843 -5.770) 10.755 5.861 ( 11.908 -1.442 -3.217) 12.419 5.861 ( 11.908 1.442 -3.217) 12.419 6.066 ( 13.469 -4.849 6.020) 15.529 6.066 ( 13.469 4.849 6.020) 15.529 6.402 ( -3.316 -7.485 4.463) 9.324 6.402 ( -3.316 7.485 4.463) 9.324 6.766 ( 9.032 -8.661 0.932) 12.549 6.766 ( 9.032 8.661 0.932) 12.549 6.930 ( -7.717 -5.150 -7.863) 12.161 6.930 ( -7.717 5.150 -7.863) 12.161 7.151 ( -5.178 -4.647 0.009) 6.958 7.151 ( -5.178 4.647 0.009) 6.958 7.413 ( -1.736 -3.134 3.591) 5.073 7.413 ( -1.736 3.134 3.591) 5.073 7.815 ( -3.820 -2.493 2.226) 5.076 7.815 ( -3.820 2.493 2.226) 5.076 8.097 ( -2.087 -2.873 -5.190) 6.289 8.097 ( -2.087 2.873 -5.190) 6.289 8.175 ( -5.549 -5.363 -5.318) 9.372 8.175 ( -5.549 5.363 -5.318) 9.372 8.865 ( 9.199 -8.583 7.048) 14.420 8.865 ( 9.199 8.583 7.048) 14.420 9.214 ( 15.751 -6.158 14.822) 22.488 9.214 ( 15.751 6.158 14.822) 22.488 9.658 ( 1.033 -10.215 -0.959) 10.312 9.658 ( 1.033 10.215 -0.959) 10.312 10.357 ( 7.395 -31.135 6.269) 32.610 10.357 ( 7.395 31.135 6.269) 32.610 11.346 ( -18.369 -11.468 -13.685) 25.617 11.346 ( -18.369 11.468 -13.685) 25.617 12.189 ( -10.764 -3.313 4.003) 11.953 12.189 ( -10.764 3.313 4.003) 11.953 14.397 ( 8.027 -10.266 -1.603) 13.130 14.397 ( 8.027 10.266 -1.603) 13.130 14.732 ( -0.332 -5.449 -1.500) 5.661 14.732 ( -0.332 5.449 -1.500) 5.661 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 7.478 -11.876 7.188) 15.768 1.988 ( 7.478 11.876 7.188) 15.768 2.258 ( 8.073 -10.741 1.678) 13.541 2.258 ( 8.073 10.741 1.678) 13.541 2.439 ( -3.088 -7.644 3.345) 8.897 2.439 ( -3.088 7.644 3.345) 8.897 2.993 ( -11.606 -1.527 -4.566) 12.564 2.993 ( -11.606 1.527 -4.566) 12.564 3.430 ( -2.405 -1.816 -0.256) 3.024 3.430 ( -2.405 1.816 -0.256) 3.024 3.550 ( -4.285 -5.304 5.516) 8.771 3.550 ( -4.285 5.304 5.516) 8.771 3.878 ( 4.806 -9.019 -9.398) 13.884 3.878 ( 4.806 9.019 -9.398) 13.884 4.134 ( -1.396 -11.719 -8.735) 14.683 4.134 ( -1.396 11.719 -8.735) 14.683 4.453 ( 5.087 -14.476 -6.458) 16.648 4.453 ( 5.087 14.476 -6.458) 16.648 4.965 ( -1.386 -2.984 3.852) 5.066 4.965 ( -1.386 2.984 3.852) 5.066 5.059 ( 6.508 -17.534 10.470) 21.435 5.059 ( 6.508 17.534 10.470) 21.435 5.439 ( 7.328 -5.192 -13.436) 16.161 5.439 ( 7.328 5.192 -13.436) 16.161 6.034 ( 3.854 -2.494 -10.126) 11.118 6.034 ( 3.854 2.494 -10.126) 11.118 6.104 ( -8.231 -5.629 -0.274) 9.975 6.104 ( -8.231 5.629 -0.274) 9.975 6.468 ( 9.547 -1.758 7.656) 12.363 6.468 ( 9.547 1.758 7.656) 12.363 6.795 ( -3.708 -3.820 -1.763) 5.608 6.795 ( -3.708 3.820 -1.763) 5.608 6.947 ( 6.856 -8.435 -0.054) 10.870 6.947 ( 6.856 8.435 -0.054) 10.870 7.063 ( -3.612 -3.721 1.517) 5.403 7.063 ( -3.612 3.721 1.517) 5.403 7.391 ( 0.024 -2.472 3.703) 4.452 7.391 ( 0.024 2.472 3.703) 4.452 7.708 ( -6.289 -2.385 4.039) 7.846 7.708 ( -6.289 2.385 4.039) 7.846 8.036 ( -3.370 -2.537 -3.906) 5.749 8.036 ( -3.370 2.537 -3.906) 5.749 8.082 ( -4.030 -5.401 -0.609) 6.766 8.082 ( -4.030 5.401 -0.609) 6.766 9.013 ( 6.412 -7.225 6.571) 11.683 9.013 ( 6.412 7.225 6.571) 11.683 9.347 ( -2.446 -9.125 8.661) 12.816 9.347 ( -2.446 9.125 8.661) 12.816 9.914 ( 22.671 -12.890 -3.811) 26.356 9.914 ( 22.671 12.890 -3.811) 26.356 10.559 ( 13.454 -23.800 11.004) 29.471 10.559 ( 13.454 23.800 11.004) 29.471 11.004 ( -16.049 -17.694 -12.328) 26.882 11.004 ( -16.049 17.694 -12.328) 26.882 11.879 ( -19.927 -3.601 10.984) 23.037 11.879 ( -19.927 3.601 10.984) 23.037 14.540 ( 6.158 -6.051 -6.057) 10.547 14.540 ( 6.158 6.051 -6.057) 10.547 14.721 ( -0.862 -3.793 -3.604) 5.303 14.721 ( -0.862 3.793 -3.604) 5.303 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 7.358 -10.260 6.989) 14.430 2.134 ( 7.358 10.260 6.989) 14.430 2.276 ( -6.314 -8.262 7.423) 12.776 2.276 ( -6.314 8.262 7.423) 12.776 2.501 ( 10.179 -9.986 -2.560) 14.488 2.501 ( 10.179 9.986 -2.560) 14.488 2.738 ( -13.038 -4.388 -3.389) 14.168 2.738 ( -13.038 4.388 -3.389) 14.168 3.423 ( 1.465 -1.508 3.043) 3.698 3.423 ( 1.465 1.508 3.043) 3.698 3.474 ( -3.379 -2.359 5.631) 6.978 3.474 ( -3.379 2.359 5.631) 6.978 3.988 ( 5.686 -11.681 -12.194) 17.817 3.988 ( 5.686 11.681 -12.194) 17.817 4.086 ( -3.871 -13.103 -11.300) 17.731 4.086 ( -3.871 13.103 -11.300) 17.731 4.610 ( 10.175 -12.079 -4.804) 16.508 4.610 ( 10.175 12.079 -4.804) 16.508 4.819 ( -10.026 -4.227 -0.391) 10.888 4.819 ( -10.026 4.227 -0.391) 10.888 5.308 ( 14.430 -17.260 8.369) 24.004 5.308 ( 14.430 17.260 8.369) 24.004 5.519 ( -3.195 -6.119 -6.438) 9.439 5.519 ( -3.195 6.119 -6.438) 9.439 5.949 ( -2.241 -3.367 -5.457) 6.792 5.949 ( -2.241 3.367 -5.457) 6.792 6.015 ( -4.969 -4.651 -12.753) 14.456 6.015 ( -4.969 4.651 -12.753) 14.456 6.651 ( 7.815 -3.665 5.670) 10.328 6.651 ( 7.815 3.665 5.670) 10.328 6.752 ( -2.276 -4.771 3.584) 6.386 6.752 ( -2.276 4.771 3.584) 6.386 7.006 ( -0.224 -7.607 -2.435) 7.991 7.006 ( -0.224 7.607 -2.435) 7.991 7.021 ( -0.836 -8.109 -1.284) 8.253 7.021 ( -0.836 8.109 -1.284) 8.253 7.447 ( 5.692 -3.466 6.202) 9.104 7.447 ( 5.692 3.466 6.202) 9.104 7.579 ( -6.772 -2.222 5.854) 9.223 7.579 ( -6.772 2.222 5.854) 9.223 7.991 ( -0.716 -4.022 -0.556) 4.122 7.991 ( -0.716 4.022 -0.556) 4.122 8.012 ( -2.671 -4.216 1.142) 5.120 8.012 ( -2.671 4.216 1.142) 5.120 9.134 ( 6.000 -6.956 5.925) 10.931 9.134 ( 6.000 6.956 5.925) 10.931 9.252 ( -5.813 -8.404 6.259) 11.983 9.252 ( -5.813 8.404 6.259) 11.983 10.350 ( 19.207 -20.517 -10.484) 29.996 10.350 ( 19.207 20.517 -10.484) 29.996 10.681 ( -14.664 -20.296 -11.119) 27.397 10.681 ( -14.664 20.296 -11.119) 27.397 10.934 ( 22.039 -9.813 15.964) 28.929 10.934 ( 22.039 9.813 15.964) 28.929 11.424 ( -25.100 -4.979 15.357) 29.843 11.424 ( -25.100 4.979 15.357) 29.843 14.638 ( 3.785 -1.999 -6.805) 8.039 14.638 ( 3.785 1.999 -6.805) 8.039 14.694 ( -1.962 -1.338 -5.613) 6.095 14.694 ( -1.962 1.338 -5.613) 6.095 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.000 0.000 23.185) 23.185 1.174 ( 0.000 0.000 26.699) 26.699 2.016 ( 0.000 0.000 43.437) 43.437 2.303 ( 0.000 0.000 8.047) 8.047 2.413 ( 0.000 0.000 10.819) 10.819 2.924 ( 0.000 0.000 -8.043) 8.043 2.953 ( 0.000 0.000 -0.849) 0.849 3.229 ( 0.000 0.000 -18.688) 18.688 3.289 ( 0.000 0.000 -4.387) 4.387 3.401 ( 0.000 0.000 -15.544) 15.544 3.471 ( 0.000 0.000 -6.031) 6.031 3.580 ( 0.000 0.000 3.945) 3.945 3.817 ( 0.000 0.000 2.836) 2.836 3.946 ( 0.000 0.000 10.112) 10.112 4.081 ( 0.000 0.000 -16.157) 16.157 4.254 ( 0.000 0.000 5.396) 5.396 4.292 ( 0.000 0.000 -1.903) 1.903 4.387 ( 0.000 0.000 -4.186) 4.186 4.791 ( 0.000 0.000 -7.302) 7.302 4.954 ( 0.000 0.000 -8.485) 8.485 4.958 ( 0.000 0.000 -13.408) 13.408 5.348 ( 0.000 0.000 8.813) 8.813 5.486 ( 0.000 0.000 10.306) 10.306 5.559 ( 0.000 0.000 10.319) 10.319 5.626 ( 0.000 0.000 -5.565) 5.565 5.651 ( 0.000 0.000 -8.916) 8.916 6.035 ( 0.000 0.000 4.077) 4.077 6.044 ( 0.000 0.000 15.017) 15.017 6.131 ( 0.000 0.000 11.147) 11.147 6.429 ( 0.000 0.000 5.780) 5.780 6.452 ( 0.000 0.000 -7.056) 7.056 6.689 ( 0.000 0.000 3.245) 3.245 6.703 ( 0.000 0.000 6.149) 6.149 6.951 ( 0.000 0.000 4.784) 4.784 7.006 ( 0.000 0.000 -8.968) 8.968 7.091 ( 0.000 0.000 -7.501) 7.501 7.531 ( 0.000 0.000 -6.449) 6.449 7.546 ( 0.000 0.000 -12.589) 12.589 7.571 ( 0.000 0.000 6.744) 6.744 7.767 ( 0.000 0.000 0.585) 0.585 8.038 ( 0.000 0.000 -6.429) 6.429 8.126 ( 0.000 0.000 -1.251) 1.251 8.283 ( 0.000 0.000 -2.625) 2.625 8.428 ( 0.000 0.000 -9.579) 9.579 8.567 ( 0.000 0.000 13.343) 13.343 8.602 ( 0.000 0.000 1.469) 1.469 9.044 ( 0.000 0.000 26.345) 26.345 9.423 ( 0.000 0.000 25.110) 25.110 9.496 ( 0.000 0.000 11.988) 11.988 9.957 ( 0.000 0.000 -6.287) 6.287 10.256 ( 0.000 0.000 -2.353) 2.353 11.201 ( 0.000 0.000 -32.232) 32.232 11.606 ( 0.000 0.000 -13.441) 13.441 11.916 ( 0.000 0.000 -13.533) 13.533 11.986 ( 0.000 0.000 0.669) 0.669 12.247 ( 0.000 0.000 -2.428) 2.428 13.942 ( 0.000 0.000 19.416) 19.416 14.213 ( 0.000 0.000 3.390) 3.390 14.683 ( 0.000 0.000 -3.271) 3.271 14.832 ( 0.000 0.000 -1.888) 1.888 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 11.108 0.000 19.272) 22.244 1.220 ( 6.346 0.000 24.353) 25.166 2.311 ( 26.359 0.000 36.219) 44.795 2.327 ( 4.145 0.000 7.936) 8.953 2.527 ( 8.292 0.000 5.652) 10.035 2.963 ( 2.579 0.000 -5.194) 5.799 2.993 ( 3.209 0.000 -1.746) 3.653 3.083 ( -9.662 0.000 -9.911) 13.841 3.286 ( -0.424 0.000 -5.122) 5.140 3.324 ( -6.182 0.000 -7.415) 9.654 3.506 ( -7.754 0.000 -1.529) 7.904 3.551 ( 0.860 0.000 -9.690) 9.728 3.732 ( -3.733 0.000 3.476) 5.101 3.950 ( 1.156 0.000 7.161) 7.254 4.066 ( 0.719 0.000 -12.888) 12.908 4.241 ( -1.324 0.000 4.933) 5.107 4.318 ( -4.058 0.000 -8.918) 9.797 4.402 ( 6.546 0.000 1.608) 6.740 4.670 ( -6.114 0.000 -4.254) 7.448 4.934 ( -2.505 0.000 -11.096) 11.375 5.074 ( 7.223 0.000 -9.085) 11.607 5.317 ( -10.633 0.000 -0.470) 10.644 5.336 ( -7.252 0.000 -1.491) 7.404 5.463 ( -5.708 0.000 10.490) 11.943 5.576 ( -11.303 0.000 1.481) 11.400 5.768 ( -0.168 0.000 -8.548) 8.549 5.886 ( 0.315 0.000 5.301) 5.310 6.032 ( 2.855 0.000 15.451) 15.712 6.155 ( 5.676 0.000 8.167) 9.946 6.489 ( 3.098 0.000 -4.372) 5.358 6.630 ( 14.217 0.000 8.897) 16.771 6.707 ( 1.734 0.000 3.558) 3.958 6.767 ( -2.277 0.000 1.985) 3.021 6.928 ( 5.335 0.000 4.872) 7.225 7.021 ( -2.835 0.000 -17.241) 17.473 7.203 ( 11.132 0.000 -1.462) 11.228 7.302 ( -10.632 0.000 -8.214) 13.435 7.600 ( 2.878 0.000 5.883) 6.549 7.783 ( 11.122 0.000 -9.291) 14.493 7.815 ( -1.844 0.000 -3.087) 3.596 8.038 ( 4.519 0.000 -1.879) 4.894 8.142 ( 1.600 0.000 0.171) 1.610 8.324 ( 2.787 0.000 -5.562) 6.221 8.408 ( -10.572 0.000 12.429) 16.317 8.431 ( 1.254 0.000 -8.072) 8.169 8.539 ( -4.959 0.000 4.444) 6.659 9.316 ( 22.195 0.000 25.695) 33.953 9.466 ( 5.271 0.000 16.713) 17.525 9.601 ( 7.522 0.000 17.788) 19.313 9.859 ( -8.056 0.000 3.578) 8.815 10.135 ( -7.327 0.000 -3.091) 7.952 10.866 ( -24.806 0.000 -28.691) 37.928 11.797 ( 10.021 0.000 -10.241) 14.328 12.003 ( 1.687 0.000 -1.203) 2.072 12.132 ( 15.487 0.000 -15.107) 21.635 12.258 ( 1.096 0.000 -2.809) 3.015 13.943 ( 0.424 0.000 16.227) 16.233 14.200 ( -1.308 0.000 1.865) 2.279 14.541 ( -12.349 0.000 -3.889) 12.947 14.808 ( -2.402 0.000 -2.522) 3.483 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 15.508 0.000 11.828) 19.504 1.443 ( 15.306 0.000 15.496) 21.780 2.474 ( 9.903 0.000 5.943) 11.549 2.613 ( -3.814 0.000 -6.833) 7.825 2.847 ( -5.850 0.000 -0.765) 5.900 2.913 ( 27.495 0.000 21.324) 34.795 3.020 ( 0.323 0.000 -7.101) 7.109 3.120 ( 7.444 0.000 5.023) 8.981 3.210 ( -3.179 0.000 1.824) 3.665 3.229 ( -11.270 0.000 3.072) 11.682 3.383 ( -10.625 0.000 1.392) 10.716 3.387 ( 5.013 0.000 -5.474) 7.422 3.817 ( 6.683 0.000 -11.387) 13.204 3.998 ( 3.581 0.000 7.444) 8.261 4.141 ( 4.542 0.000 -6.709) 8.102 4.204 ( -4.656 0.000 -8.969) 10.106 4.216 ( -0.419 0.000 2.913) 2.943 4.520 ( 4.676 0.000 -0.850) 4.753 4.603 ( -2.653 0.000 -3.782) 4.620 4.836 ( -8.649 0.000 -7.414) 11.392 5.061 ( -13.919 0.000 0.773) 13.941 5.103 ( -9.540 0.000 -5.898) 11.216 5.157 ( -14.707 0.000 5.017) 15.539 5.297 ( 7.801 0.000 -6.201) 9.965 5.441 ( -3.569 0.000 -3.738) 5.168 5.598 ( -10.669 0.000 -13.593) 17.280 6.030 ( 6.846 0.000 3.978) 7.918 6.246 ( 4.413 0.000 0.523) 4.444 6.269 ( 14.196 0.000 11.530) 18.288 6.531 ( 0.484 0.000 -1.340) 1.424 6.650 ( -6.506 0.000 -1.106) 6.599 6.748 ( 2.151 0.000 4.053) 4.589 6.908 ( 12.733 0.000 10.673) 16.614 6.959 ( -4.188 0.000 -11.866) 12.583 7.060 ( 4.671 0.000 4.643) 6.586 7.131 ( -6.223 0.000 -6.739) 9.172 7.364 ( 4.029 0.000 -1.621) 4.343 7.657 ( -4.634 0.000 0.014) 4.634 7.727 ( 4.274 0.000 -0.351) 4.288 7.924 ( 1.324 0.000 1.682) 2.141 8.155 ( 3.476 0.000 -4.126) 5.395 8.215 ( 7.660 0.000 -3.717) 8.514 8.259 ( -3.695 0.000 7.306) 8.187 8.339 ( -0.803 0.000 -6.150) 6.202 8.468 ( -1.463 0.000 10.303) 10.406 8.546 ( 10.458 0.000 -5.113) 11.641 9.530 ( -6.773 0.000 8.263) 10.684 9.597 ( 1.039 0.000 10.057) 10.111 9.830 ( 28.753 0.000 25.423) 38.381 9.955 ( 8.598 0.000 20.297) 22.043 10.055 ( 7.534 0.000 0.537) 7.553 10.340 ( -27.313 0.000 -26.083) 37.767 11.911 ( 2.304 0.000 -1.538) 2.770 12.027 ( -0.167 0.000 -1.673) 1.681 12.271 ( -0.966 0.000 -0.709) 1.199 12.331 ( 2.239 0.000 -5.285) 5.740 13.981 ( 3.885 0.000 7.187) 8.170 14.165 ( -2.056 0.000 -2.443) 3.194 14.291 ( -10.928 0.000 -10.623) 15.240 14.738 ( -4.700 0.000 -4.221) 6.317 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 14.437 0.000 4.504) 15.124 1.789 ( 18.780 0.000 7.568) 20.248 2.403 ( -12.727 0.000 -7.588) 14.817 2.679 ( 8.752 0.000 2.571) 9.121 2.795 ( -2.288 0.000 4.424) 4.981 2.893 ( -13.937 0.000 -3.156) 14.290 2.966 ( -6.624 0.000 -2.999) 7.271 3.033 ( -5.900 0.000 -4.158) 7.218 3.160 ( -1.662 0.000 7.182) 7.372 3.349 ( 5.191 0.000 2.110) 5.603 3.512 ( 15.871 0.000 3.149) 16.180 3.719 ( 26.794 0.000 17.934) 32.242 3.910 ( 3.207 0.000 -6.894) 7.604 4.083 ( -2.702 0.000 2.703) 3.822 4.085 ( 5.125 0.000 3.784) 6.371 4.246 ( 2.473 0.000 -0.638) 2.554 4.291 ( 3.724 0.000 -9.087) 9.821 4.484 ( -4.493 0.000 -10.095) 11.050 4.575 ( -15.798 0.000 -10.622) 19.037 4.584 ( -3.172 0.000 6.207) 6.970 4.773 ( -8.193 0.000 -1.222) 8.284 4.968 ( -5.764 0.000 -4.116) 7.083 4.996 ( -1.289 0.000 -7.270) 7.384 5.398 ( -9.662 0.000 -14.835) 17.704 5.398 ( -0.815 0.000 -3.501) 3.594 5.524 ( 12.969 0.000 -6.967) 14.722 5.992 ( -10.018 0.000 -8.659) 13.242 6.300 ( -4.613 0.000 -2.870) 5.433 6.515 ( 10.265 0.000 7.128) 12.497 6.516 ( 1.846 0.000 0.156) 1.852 6.601 ( 1.322 0.000 3.344) 3.596 6.779 ( 0.617 0.000 4.257) 4.302 6.849 ( -5.137 0.000 -8.288) 9.751 7.036 ( -0.556 0.000 0.576) 0.801 7.078 ( -2.546 0.000 1.429) 2.920 7.120 ( 4.827 0.000 2.677) 5.519 7.399 ( 1.100 0.000 2.298) 2.548 7.564 ( -3.150 0.000 4.169) 5.225 7.867 ( 7.004 0.000 -3.727) 7.934 7.901 ( -0.229 0.000 12.974) 12.976 8.162 ( -2.009 0.000 -5.491) 5.847 8.207 ( -3.124 0.000 9.323) 9.832 8.345 ( 2.031 0.000 1.552) 2.556 8.461 ( 0.059 0.000 8.904) 8.904 8.464 ( 16.426 0.000 -12.654) 20.735 8.794 ( 13.283 0.000 -3.798) 13.816 9.367 ( -7.524 0.000 5.258) 9.179 9.627 ( 0.846 0.000 9.213) 9.252 9.801 ( -26.564 0.000 -23.129) 35.222 9.892 ( -5.777 0.000 4.885) 7.566 10.431 ( 31.058 0.000 24.132) 39.331 10.549 ( 30.898 0.000 19.922) 36.764 11.868 ( -8.746 0.000 4.264) 9.730 12.019 ( 0.811 0.000 1.318) 1.548 12.197 ( -15.197 0.000 8.590) 17.457 12.202 ( -5.001 0.000 3.169) 5.920 14.103 ( 8.167 0.000 -2.577) 8.564 14.119 ( -2.491 0.000 -12.436) 12.683 14.147 ( -3.563 0.000 -14.090) 14.533 14.623 ( -6.841 0.000 -6.383) 9.357 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 11.614 0.000 -1.693) 11.736 2.164 ( -11.265 0.000 -5.907) 12.720 2.169 ( 19.314 0.000 3.055) 19.554 2.547 ( -18.652 0.000 0.972) 18.678 2.758 ( -0.416 0.000 5.803) 5.818 2.765 ( 0.125 0.000 2.710) 2.713 2.910 ( -0.678 0.000 -6.284) 6.320 2.936 ( -3.278 0.000 -5.164) 6.116 3.232 ( 7.997 0.000 7.648) 11.065 3.373 ( -3.943 0.000 6.415) 7.530 3.796 ( 13.746 0.000 5.734) 14.894 4.004 ( 7.455 0.000 -6.137) 9.656 4.015 ( -3.352 0.000 12.091) 12.547 4.073 ( 2.749 0.000 4.837) 5.563 4.190 ( -3.609 0.000 -3.335) 4.914 4.207 ( -8.385 0.000 3.524) 9.095 4.212 ( 0.342 0.000 -3.312) 3.329 4.325 ( -6.770 0.000 -10.394) 12.405 4.561 ( 5.162 0.000 -13.148) 14.125 4.583 ( 10.490 0.000 1.830) 10.648 4.718 ( 0.860 0.000 -10.501) 10.537 4.877 ( -5.783 0.000 -0.196) 5.786 5.047 ( 6.160 0.000 -9.225) 11.093 5.209 ( -9.325 0.000 -12.586) 15.664 5.426 ( 4.913 0.000 -4.425) 6.612 5.636 ( -12.538 0.000 -2.317) 12.750 5.852 ( 9.521 0.000 -14.282) 17.165 6.101 ( -12.639 0.000 -9.351) 15.722 6.570 ( 2.506 0.000 1.444) 2.892 6.615 ( -1.500 0.000 2.882) 3.249 6.675 ( 6.050 0.000 4.698) 7.660 6.760 ( -2.628 0.000 3.947) 4.742 6.851 ( 5.461 0.000 -5.089) 7.464 6.983 ( -6.466 0.000 -1.561) 6.652 7.061 ( 3.309 0.000 0.092) 3.310 7.135 ( -2.842 0.000 1.611) 3.267 7.438 ( 2.869 0.000 5.339) 6.061 7.503 ( -3.297 0.000 5.812) 6.683 7.970 ( 6.523 0.000 15.013) 16.369 7.991 ( 5.624 0.000 -3.306) 6.524 8.093 ( -4.591 0.000 -3.250) 5.625 8.110 ( -6.583 0.000 12.929) 14.509 8.406 ( 3.302 0.000 5.038) 6.023 8.453 ( -1.230 0.000 6.662) 6.774 8.841 ( 21.175 0.000 -16.055) 26.574 9.038 ( 10.831 0.000 -3.389) 11.349 9.221 ( -7.852 0.000 0.047) 7.852 9.294 ( -24.351 0.000 -19.479) 31.183 9.663 ( 3.560 0.000 10.007) 10.622 9.768 ( -6.356 0.000 9.141) 11.134 11.036 ( 29.092 0.000 20.769) 35.745 11.182 ( 31.800 0.000 18.630) 36.856 11.552 ( -22.088 0.000 14.550) 26.450 11.771 ( -26.617 0.000 15.797) 30.952 12.055 ( 2.503 0.000 1.421) 2.879 12.115 ( -3.575 0.000 1.925) 4.061 14.092 ( -0.119 0.000 -17.884) 17.885 14.106 ( -1.312 0.000 -14.950) 15.008 14.284 ( 9.592 0.000 -7.458) 12.150 14.468 ( -8.682 0.000 -7.989) 11.798 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 14.544 18.237) 23.326 1.310 ( 0.000 11.794 23.147) 25.978 2.208 ( 0.000 16.896 35.345) 39.176 2.358 ( 0.000 -5.209 10.722) 11.920 2.387 ( 0.000 3.405 4.038) 5.282 2.768 ( 0.000 -11.836 -9.463) 15.154 2.857 ( 0.000 -7.950 1.829) 8.158 3.272 ( 0.000 1.348 -16.155) 16.211 3.290 ( 0.000 -0.752 -8.988) 9.020 3.297 ( 0.000 -8.536 -4.944) 9.864 3.434 ( 0.000 6.962 -7.462) 10.205 3.711 ( 0.000 5.118 -2.349) 5.631 3.934 ( 0.000 3.179 3.862) 5.003 3.948 ( 0.000 -10.558 3.579) 11.148 4.059 ( 0.000 16.274 -4.030) 16.765 4.130 ( 0.000 -0.512 -15.291) 15.300 4.386 ( 0.000 1.878 0.308) 1.903 4.651 ( 0.000 16.650 2.143) 16.787 4.741 ( 0.000 -5.845 -11.641) 13.025 4.785 ( 0.000 -0.226 -6.770) 6.773 5.196 ( 0.000 7.101 -5.963) 9.273 5.232 ( 0.000 -10.049 1.423) 10.149 5.275 ( 0.000 -12.206 11.120) 16.512 5.512 ( 0.000 -9.415 -8.361) 12.592 5.645 ( 0.000 0.681 14.106) 14.122 5.733 ( 0.000 6.265 1.684) 6.488 5.885 ( 0.000 -5.957 14.464) 15.643 6.022 ( 0.000 0.980 10.194) 10.241 6.309 ( 0.000 8.571 3.861) 9.401 6.364 ( 0.000 0.015 -7.132) 7.132 6.615 ( 0.000 1.298 5.017) 5.183 6.641 ( 0.000 0.959 3.375) 3.508 6.821 ( 0.000 -2.103 2.570) 3.320 6.929 ( 0.000 8.381 -3.552) 9.103 6.986 ( 0.000 2.307 -5.657) 6.109 7.113 ( 0.000 2.489 -3.491) 4.287 7.533 ( 0.000 -3.917 6.566) 7.645 7.551 ( 0.000 1.597 -7.225) 7.400 7.624 ( 0.000 0.034 -7.346) 7.346 7.801 ( 0.000 7.238 -5.466) 9.070 8.005 ( 0.000 -2.813 -6.844) 7.400 8.087 ( 0.000 -3.837 -3.931) 5.494 8.265 ( 0.000 -2.778 -5.322) 6.003 8.401 ( 0.000 -2.566 -9.008) 9.366 8.540 ( 0.000 0.880 11.622) 11.655 8.826 ( 0.000 17.388 7.888) 19.094 9.056 ( 0.000 0.759 26.046) 26.057 9.432 ( 0.000 -5.731 12.307) 13.576 9.438 ( 0.000 1.771 24.378) 24.442 9.890 ( 0.000 -5.066 -6.045) 7.887 10.118 ( 0.000 -10.212 3.623) 10.836 11.264 ( 0.000 4.232 -28.277) 28.592 11.628 ( 0.000 1.789 -14.370) 14.481 11.737 ( 0.000 -20.381 -0.801) 20.397 11.904 ( 0.000 -1.176 -13.534) 13.585 12.143 ( 0.000 -7.899 -6.755) 10.393 14.008 ( 0.000 6.110 17.720) 18.744 14.346 ( 0.000 10.479 3.323) 10.993 14.675 ( 0.000 -1.621 -1.127) 1.974 14.852 ( 0.000 1.092 -1.282) 1.684 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 9.672 13.493 15.337) 22.601 1.351 ( 5.466 11.434 21.566) 25.014 2.346 ( 2.659 -0.559 7.547) 8.021 2.442 ( 18.422 10.132 27.545) 34.652 2.505 ( 9.304 -1.277 6.866) 11.634 2.781 ( 1.284 -12.880 -7.555) 14.988 2.919 ( 5.461 -7.994 1.007) 9.733 3.107 ( -9.735 1.676 -10.428) 14.364 3.268 ( -4.562 -0.338 -7.000) 8.362 3.312 ( -4.337 0.380 -4.318) 6.132 3.471 ( 6.341 1.400 -7.780) 10.134 3.681 ( -1.217 2.953 -5.260) 6.153 3.786 ( -11.798 5.667 5.557) 14.219 3.975 ( -0.735 -10.239 -1.104) 10.325 4.055 ( 1.141 8.253 -1.845) 8.534 4.186 ( 3.003 3.707 -11.269) 12.238 4.335 ( -2.510 5.229 -2.896) 6.482 4.560 ( -7.063 1.641 -2.026) 7.529 4.710 ( -3.890 2.520 -2.051) 5.069 4.799 ( 0.868 0.679 -5.528) 5.637 5.096 ( -5.365 -6.767 -3.410) 9.285 5.247 ( 1.110 -4.187 -1.282) 4.517 5.339 ( -12.836 -4.648 1.934) 13.788 5.439 ( 5.597 -3.272 12.846) 14.389 5.524 ( -2.152 1.830 -6.201) 6.814 5.790 ( -0.689 4.303 -3.184) 5.397 5.993 ( 7.082 5.460 7.536) 11.695 6.104 ( -4.544 3.752 9.041) 10.792 6.182 ( 5.051 2.986 9.058) 10.793 6.405 ( 3.971 -3.974 -4.757) 7.362 6.640 ( -2.416 -1.180 3.364) 4.307 6.719 ( 7.637 2.252 5.185) 9.502 6.828 ( 1.604 1.079 3.654) 4.134 6.954 ( -0.147 -1.487 -16.433) 16.501 7.029 ( 4.112 6.358 2.753) 8.057 7.119 ( 1.945 -0.126 0.066) 1.950 7.422 ( -5.368 2.753 -6.294) 8.718 7.574 ( 2.875 -1.810 3.090) 4.592 7.757 ( 6.964 -1.454 -4.917) 8.648 7.852 ( -2.769 2.812 -7.763) 8.709 7.971 ( 3.130 -3.458 -1.291) 4.839 8.124 ( 2.742 -2.700 -2.225) 4.445 8.260 ( -1.362 -3.856 -6.112) 7.354 8.405 ( 0.639 -3.286 -7.623) 8.325 8.540 ( 1.346 4.713 11.956) 12.922 8.675 ( -7.469 16.463 5.926) 19.025 9.322 ( 18.076 -0.132 23.393) 29.564 9.418 ( 4.293 -4.051 15.210) 16.315 9.613 ( 12.035 1.753 21.152) 24.399 9.801 ( -7.544 -4.075 2.169) 8.844 10.046 ( -4.724 -6.850 -0.282) 8.325 10.949 ( -23.437 6.749 -26.711) 36.171 11.681 ( 1.855 -17.370 0.031) 17.469 11.816 ( 3.976 -10.143 -9.441) 14.416 12.044 ( 9.898 -5.123 -11.349) 15.907 12.217 ( 6.861 -2.645 -9.660) 12.140 14.008 ( 0.358 6.031 14.550) 15.755 14.332 ( -1.345 10.437 1.903) 10.694 14.575 ( -9.067 1.288 -2.762) 9.565 14.821 ( -2.789 0.864 -2.067) 3.577 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 12.612 10.179 11.673) 19.974 1.561 ( 14.745 9.952 13.548) 22.360 2.448 ( 7.149 -3.917 5.969) 10.103 2.588 ( 0.379 -2.198 -1.364) 2.614 2.769 ( -1.323 -12.479 -0.769) 12.572 2.879 ( 8.926 -2.980 8.130) 12.436 2.895 ( -3.997 1.435 -6.292) 7.591 3.090 ( 7.418 -2.942 1.165) 8.065 3.157 ( -2.314 -2.857 1.505) 3.972 3.258 ( 0.756 4.421 -0.097) 4.486 3.492 ( -7.082 7.852 1.730) 10.715 3.631 ( 1.349 13.831 5.192) 14.835 3.707 ( 4.322 -7.314 -10.168) 13.251 3.987 ( 0.020 -13.126 4.723) 13.950 4.051 ( 1.698 3.074 -5.025) 6.131 4.164 ( -4.854 -2.466 -6.174) 8.232 4.354 ( 4.106 13.366 -6.984) 15.630 4.460 ( -5.797 -6.158 -1.158) 8.536 4.568 ( -5.514 -1.129 -5.901) 8.155 4.789 ( -2.678 -1.885 -2.570) 4.163 5.007 ( -7.332 2.840 6.355) 10.110 5.158 ( 0.746 -1.567 -5.414) 5.685 5.262 ( -0.613 -6.491 0.610) 6.548 5.403 ( -10.785 12.195 0.337) 16.283 5.487 ( -1.548 10.437 -13.348) 17.015 5.691 ( -8.179 5.737 -7.474) 12.476 6.015 ( 7.066 -0.026 2.202) 7.401 6.213 ( 4.251 -1.721 2.506) 5.226 6.375 ( 12.492 7.921 9.877) 17.786 6.494 ( 4.080 -4.541 0.496) 6.125 6.546 ( -6.247 -4.884 0.226) 7.933 6.794 ( 1.321 2.849 1.624) 3.535 6.925 ( -2.523 -3.579 -11.255) 12.077 6.946 ( 7.167 1.730 6.532) 9.851 7.106 ( 1.948 4.566 3.914) 6.321 7.125 ( -0.509 0.573 0.385) 0.858 7.386 ( 0.767 0.195 -3.506) 3.594 7.603 ( -3.949 -4.371 0.398) 5.904 7.742 ( 2.051 1.727 -2.318) 3.544 7.892 ( 3.145 -3.070 -2.420) 5.017 8.019 ( -0.582 -5.617 3.708) 6.756 8.171 ( 0.466 -2.854 -2.686) 3.946 8.238 ( 0.802 -3.369 -3.484) 4.913 8.419 ( 0.865 -4.749 2.160) 5.288 8.585 ( 3.236 13.035 1.324) 13.496 8.675 ( 7.642 14.437 1.083) 16.370 9.473 ( -1.362 -5.752 7.454) 9.513 9.520 ( -2.004 -4.180 12.011) 12.875 9.883 ( 22.417 0.474 21.858) 31.313 9.914 ( 6.571 -2.050 14.297) 15.867 10.013 ( 12.159 -0.932 7.102) 14.112 10.461 ( -24.333 9.578 -23.252) 34.993 11.716 ( 1.978 -20.348 2.352) 20.579 11.835 ( -1.570 -15.885 -5.156) 16.774 12.159 ( 0.355 -4.173 -2.778) 5.026 12.318 ( 0.471 -1.658 -4.080) 4.429 14.042 ( 3.500 5.600 5.759) 8.762 14.296 ( -2.169 10.229 -2.152) 10.675 14.382 ( -8.774 5.864 -9.175) 13.984 14.748 ( -4.621 0.747 -3.968) 6.137 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 13.882 7.355 5.896) 16.780 1.873 ( 15.919 7.077 7.795) 19.086 2.469 ( -10.004 4.357 -5.935) 12.421 2.573 ( 2.561 -8.165 3.206) 9.137 2.705 ( -2.193 -7.622 -0.682) 7.960 2.802 ( -5.607 -3.796 -0.036) 6.771 2.911 ( -0.746 -6.649 1.186) 6.795 3.038 ( -5.181 5.024 -3.922) 8.214 3.245 ( -0.335 -5.215 -1.104) 5.341 3.278 ( 0.712 0.751 5.491) 5.588 3.520 ( 6.189 2.347 4.910) 8.241 3.747 ( 6.512 -0.422 11.123) 12.896 3.836 ( 9.453 -7.096 -13.481) 17.929 3.927 ( -1.313 -9.947 6.632) 12.027 4.076 ( -2.687 -1.640 -1.601) 3.532 4.214 ( 9.355 -1.079 -0.333) 9.422 4.294 ( -5.253 -6.363 -3.823) 9.094 4.427 ( 0.817 9.268 -7.085) 11.694 4.564 ( 4.402 7.093 -5.959) 10.257 4.754 ( -0.408 3.279 -3.544) 4.845 4.853 ( -8.248 3.463 0.366) 8.953 5.134 ( -10.269 5.321 -9.068) 14.697 5.174 ( -2.588 11.484 -2.278) 11.991 5.246 ( -1.281 1.986 -4.908) 5.447 5.468 ( -0.408 2.114 -14.213) 14.376 5.655 ( 3.559 8.540 -3.203) 9.791 6.003 ( -8.363 1.727 -8.642) 12.149 6.284 ( -3.478 -0.769 -3.420) 4.938 6.468 ( 3.717 -3.854 2.306) 5.829 6.560 ( 3.221 -1.172 4.558) 5.703 6.602 ( 8.935 5.780 6.528) 12.484 6.815 ( -0.213 -1.899 -3.479) 3.969 6.846 ( -2.858 1.744 -0.791) 3.440 7.002 ( -0.735 -0.204 2.392) 2.511 7.103 ( -2.004 2.051 -0.416) 2.898 7.155 ( 2.109 2.401 4.825) 5.787 7.403 ( 0.762 -0.119 0.267) 0.816 7.523 ( -2.555 -3.268 2.747) 4.975 7.797 ( 1.067 -2.381 1.120) 2.840 7.961 ( 5.315 -0.689 4.530) 7.018 7.986 ( -2.494 -8.472 2.836) 9.276 8.175 ( 1.338 -5.582 -0.936) 5.816 8.268 ( 1.406 -2.435 0.446) 2.846 8.429 ( -0.333 -4.243 8.807) 9.781 8.722 ( 9.870 14.547 -5.252) 18.347 8.880 ( 12.256 10.343 -3.913) 16.508 9.320 ( -8.715 -2.091 4.659) 10.101 9.554 ( 2.013 -5.429 8.919) 10.634 9.841 ( -6.797 -4.231 3.997) 8.949 9.958 ( -21.277 11.638 -18.448) 30.471 10.443 ( 29.853 -1.108 20.188) 36.055 10.535 ( 29.171 0.629 21.258) 36.100 11.748 ( -3.804 -15.753 0.211) 16.207 11.775 ( -0.002 -20.471 1.029) 20.497 12.041 ( -12.147 -5.334 7.648) 15.314 12.199 ( -11.453 -1.691 6.715) 13.384 14.152 ( 7.212 4.648 -3.762) 9.368 14.244 ( -2.813 8.825 -13.334) 16.235 14.269 ( -2.598 9.274 -9.709) 13.675 14.638 ( -6.463 1.175 -6.313) 9.111 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 12.000 6.847 -0.009) 13.815 2.166 ( 11.226 2.667 4.224) 12.287 2.276 ( -7.145 6.192 -3.948) 10.246 2.450 ( -11.878 -5.113 3.334) 13.355 2.691 ( 1.104 -4.643 -0.400) 4.789 2.735 ( -2.761 -2.661 -1.556) 4.139 2.933 ( 1.881 -4.420 1.778) 5.123 2.970 ( -2.170 1.874 -0.054) 2.868 3.194 ( 1.898 -0.563 1.715) 2.619 3.291 ( -4.513 -5.503 6.748) 9.808 3.615 ( 6.038 -9.690 2.814) 11.759 3.741 ( -5.180 -13.486 4.793) 15.221 3.969 ( 4.461 -5.032 1.322) 6.853 4.015 ( 1.978 -6.484 -6.273) 9.236 4.118 ( 9.871 0.115 -2.645) 10.220 4.200 ( -0.143 -4.560 -2.654) 5.278 4.278 ( -4.096 -0.911 -6.368) 7.626 4.394 ( -11.877 6.528 -5.183) 14.510 4.706 ( 7.586 9.802 -4.404) 13.154 4.786 ( 1.472 8.311 -10.222) 13.256 4.821 ( 12.235 12.121 1.879) 17.325 5.062 ( 0.709 -0.164 -6.681) 6.721 5.080 ( -6.518 13.592 -6.351) 16.357 5.175 ( -5.623 2.898 -7.314) 9.670 5.487 ( 3.245 3.614 -7.783) 9.174 5.641 ( -10.308 1.157 -2.845) 10.755 5.910 ( 6.326 5.494 -11.089) 13.899 6.106 ( -10.950 0.896 -8.792) 14.071 6.569 ( 3.251 0.146 2.686) 4.220 6.605 ( 0.024 0.271 5.216) 5.223 6.736 ( 5.489 2.614 2.572) 6.601 6.797 ( -0.182 4.025 -0.728) 4.094 6.866 ( 2.859 0.576 -0.585) 2.975 6.956 ( -4.664 -2.226 -0.888) 5.244 7.078 ( 1.782 1.692 2.370) 3.414 7.145 ( -3.092 0.787 3.195) 4.516 7.427 ( 1.879 -0.781 2.797) 3.459 7.475 ( -2.619 -2.126 3.267) 4.697 7.831 ( 3.129 -4.675 4.088) 6.954 7.913 ( -4.529 -7.469 2.835) 9.183 8.085 ( 6.302 -1.041 6.006) 8.767 8.180 ( -2.497 -3.205 4.556) 6.105 8.320 ( 4.223 -4.708 4.166) 7.573 8.397 ( -2.927 -4.568 7.901) 9.584 8.940 ( 11.178 6.414 -5.087) 13.855 9.140 ( -3.576 1.362 -3.437) 5.143 9.156 ( 9.656 9.695 -6.699) 15.235 9.498 ( -18.337 11.976 -14.600) 26.322 9.628 ( 3.096 -2.680 8.555) 9.484 9.738 ( -6.615 -1.674 8.475) 10.881 11.030 ( 28.082 -3.264 16.924) 32.949 11.134 ( 29.887 -2.676 18.840) 35.431 11.512 ( -18.746 -8.424 8.705) 22.319 11.682 ( -23.752 -5.893 14.573) 28.483 11.840 ( 4.551 -16.928 3.162) 17.811 11.968 ( -9.186 -8.728 6.655) 14.313 14.213 ( -0.058 9.083 -16.126) 18.508 14.226 ( -1.145 9.253 -13.475) 16.386 14.325 ( 8.560 3.478 -7.762) 12.067 14.493 ( -8.061 2.063 -8.109) 11.619 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 16.899 13.203) 21.445 1.633 ( 0.000 17.229 16.740) 24.022 2.188 ( 0.000 -10.859 11.218) 15.613 2.325 ( 0.000 -9.617 5.813) 11.238 2.486 ( 0.000 -1.193 9.843) 9.915 2.516 ( 0.000 -9.522 -7.843) 12.336 2.840 ( 0.000 15.862 11.108) 19.364 3.175 ( 0.000 -2.896 -6.289) 6.924 3.244 ( 0.000 -3.654 -10.721) 11.326 3.300 ( 0.000 0.949 -9.568) 9.615 3.616 ( 0.000 7.152 -7.567) 10.412 3.772 ( 0.000 0.813 -6.334) 6.386 3.814 ( 0.000 -0.547 -0.262) 0.606 3.986 ( 0.000 -5.333 -8.312) 9.876 4.151 ( 0.000 10.405 -5.928) 11.975 4.406 ( 0.000 11.582 -6.448) 13.256 4.458 ( 0.000 3.333 2.226) 4.008 4.696 ( 0.000 0.556 -10.490) 10.505 4.725 ( 0.000 -3.935 -4.137) 5.710 4.870 ( 0.000 -7.628 6.321) 9.907 5.012 ( 0.000 -6.734 1.218) 6.844 5.155 ( 0.000 11.100 3.322) 11.587 5.221 ( 0.000 -5.412 6.362) 8.353 5.356 ( 0.000 -2.115 -10.539) 10.749 5.589 ( 0.000 -3.609 11.187) 11.755 5.807 ( 0.000 0.403 13.061) 13.067 5.818 ( 0.000 -0.992 18.314) 18.341 6.049 ( 0.000 -7.231 -3.366) 7.976 6.311 ( 0.000 0.212 3.912) 3.917 6.479 ( 0.000 7.046 6.794) 9.788 6.599 ( 0.000 3.157 -0.557) 3.206 6.628 ( 0.000 -2.444 -0.449) 2.485 6.904 ( 0.000 2.485 -2.819) 3.758 6.924 ( 0.000 -0.721 -13.627) 13.646 7.204 ( 0.000 7.368 1.356) 7.492 7.270 ( 0.000 14.229 2.994) 14.541 7.427 ( 0.000 -4.422 4.328) 6.188 7.581 ( 0.000 -2.891 -4.830) 5.629 7.590 ( 0.000 2.330 -9.284) 9.571 7.935 ( 0.000 -3.017 -7.551) 8.131 7.953 ( 0.000 1.653 0.073) 1.654 7.983 ( 0.000 -5.040 -5.413) 7.396 8.126 ( 0.000 -6.150 -12.307) 13.758 8.319 ( 0.000 -5.022 -7.881) 9.345 8.645 ( 0.000 8.052 13.394) 15.628 9.032 ( 0.000 -4.784 21.467) 21.994 9.198 ( 0.000 10.809 13.402) 17.218 9.299 ( 0.000 -4.302 16.254) 16.814 9.571 ( 0.000 12.905 15.923) 20.496 9.789 ( 0.000 -3.778 -3.727) 5.307 9.960 ( 0.000 -0.275 6.663) 6.669 11.037 ( 0.000 -29.621 2.701) 29.744 11.512 ( 0.000 4.997 -26.121) 26.594 11.667 ( 0.000 1.284 -16.075) 16.126 11.872 ( 0.000 -1.554 -13.772) 13.859 11.969 ( 0.000 -7.548 -14.021) 15.924 14.189 ( 0.000 10.105 14.165) 17.400 14.583 ( 0.000 10.319 2.595) 10.640 14.591 ( 0.000 -6.293 3.760) 7.331 14.847 ( 0.000 -1.961 0.546) 2.036 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 7.295 15.484 11.168) 20.437 1.668 ( 3.900 17.108 15.538) 23.437 2.219 ( 2.911 -9.990 10.693) 14.920 2.376 ( 4.390 -11.134 4.206) 12.685 2.516 ( 0.426 -7.586 -5.065) 9.131 2.599 ( 9.381 -7.820 7.044) 14.099 2.884 ( 2.773 12.286 9.289) 15.650 3.116 ( -0.090 0.987 -7.270) 7.337 3.279 ( 2.739 -0.858 -8.672) 9.134 3.377 ( -6.311 4.607 -14.627) 16.583 3.535 ( 4.839 4.668 1.661) 6.925 3.698 ( -7.139 -0.513 -7.027) 10.030 3.812 ( -0.490 -1.163 1.114) 1.683 3.918 ( -6.382 -0.951 -2.500) 6.920 4.117 ( -3.537 5.085 -11.065) 12.681 4.329 ( -7.356 4.101 -0.448) 8.434 4.460 ( -1.908 -0.011 -8.949) 9.150 4.533 ( -9.582 -4.044 -2.834) 10.779 4.705 ( -1.509 2.410 1.990) 3.471 4.910 ( -1.566 10.714 -4.288) 11.645 5.049 ( 3.071 -5.804 4.446) 7.930 5.139 ( 0.109 1.845 -0.717) 1.983 5.208 ( -4.526 -9.034 12.312) 15.928 5.342 ( 3.465 0.801 1.540) 3.876 5.559 ( 4.811 -0.724 -6.983) 8.511 5.888 ( 2.725 2.271 7.412) 8.217 6.021 ( 9.232 -1.487 9.343) 13.219 6.087 ( 5.098 -12.380 5.562) 14.498 6.244 ( -2.688 10.299 0.635) 10.663 6.504 ( 2.247 10.765 3.612) 11.575 6.616 ( -0.474 0.672 2.663) 2.787 6.695 ( 7.376 -6.050 0.059) 9.540 6.859 ( -3.020 0.970 -4.164) 5.234 6.902 ( -2.031 -0.927 -11.881) 12.089 7.179 ( -1.655 4.666 1.979) 5.331 7.241 ( -0.869 8.636 5.159) 10.097 7.405 ( -2.408 -0.497 -1.238) 2.753 7.530 ( -0.654 -2.470 -2.610) 3.653 7.751 ( 8.075 0.559 -5.307) 9.680 7.863 ( -4.123 -1.232 -4.815) 6.457 7.977 ( 0.330 0.712 -2.207) 2.342 8.044 ( 3.191 -1.228 -4.442) 5.605 8.117 ( 0.096 -9.136 -8.460) 12.451 8.295 ( -2.174 -6.258 -6.545) 9.312 8.692 ( 4.847 8.977 12.074) 15.807 9.020 ( 1.820 8.075 13.068) 15.469 9.238 ( 0.052 -2.714 9.949) 10.313 9.393 ( 12.248 0.374 21.423) 24.680 9.662 ( 2.787 1.119 14.550) 14.856 9.776 ( 2.399 1.322 1.291) 3.028 9.949 ( 0.809 4.313 6.946) 8.215 11.020 ( -4.713 -17.636 -4.632) 18.834 11.211 ( -15.311 -4.846 -14.193) 21.433 11.596 ( -8.959 -10.947 -13.149) 19.313 12.017 ( 11.384 1.691 -13.084) 17.425 12.152 ( 10.182 -3.385 -12.661) 16.596 14.184 ( -0.174 9.683 11.062) 14.703 14.541 ( -4.429 -3.537 1.290) 5.813 14.569 ( -1.521 9.255 1.370) 9.478 14.820 ( -2.548 -1.541 -0.647) 3.047 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 9.865 14.186 5.869) 18.248 1.801 ( 9.845 12.286 14.271) 21.249 2.294 ( 4.489 -9.497 9.077) 13.883 2.454 ( 2.669 -14.060 -0.708) 14.328 2.534 ( 0.988 -3.182 1.210) 3.545 2.779 ( 7.057 -13.859 4.895) 16.305 2.895 ( -0.516 4.438 -0.952) 4.569 3.082 ( -11.670 6.985 -6.226) 14.958 3.264 ( 4.329 -2.201 -6.381) 8.019 3.315 ( -0.338 8.123 -6.514) 10.418 3.569 ( -2.479 -3.498 -3.663) 5.639 3.654 ( -2.704 6.553 -2.503) 7.518 3.797 ( -0.880 -0.197 2.066) 2.254 3.876 ( 7.178 2.547 7.784) 10.890 4.000 ( -6.610 -2.398 -10.386) 12.542 4.161 ( -8.119 -2.209 -1.550) 8.556 4.310 ( -8.894 -4.580 -0.660) 10.026 4.454 ( 0.095 -4.559 -10.849) 11.769 4.709 ( 2.956 8.807 -0.831) 9.327 4.897 ( -1.149 15.134 -2.343) 15.357 4.993 ( -6.456 -3.495 0.849) 7.391 5.097 ( 1.110 -3.247 0.867) 3.539 5.238 ( 3.520 3.489 0.094) 4.957 5.512 ( 7.115 -6.718 4.240) 10.664 5.652 ( 2.916 5.476 -12.508) 13.962 5.760 ( -10.782 3.607 -0.469) 11.379 6.104 ( 2.702 2.712 -0.277) 3.839 6.250 ( 4.422 8.737 0.462) 9.804 6.283 ( 6.509 -9.512 2.642) 11.825 6.541 ( -3.917 1.402 0.345) 4.174 6.603 ( 5.987 10.075 5.036) 12.756 6.811 ( 0.703 -3.931 -6.019) 7.224 6.834 ( -2.101 -1.730 -2.943) 4.008 6.940 ( 10.229 -2.370 4.974) 11.619 7.170 ( -0.044 2.888 4.173) 5.075 7.197 ( -3.286 1.270 4.087) 5.396 7.383 ( 0.136 2.412 -2.117) 3.212 7.505 ( -2.273 -3.727 0.352) 4.380 7.794 ( -2.485 2.163 -2.994) 4.452 7.851 ( 2.527 -0.021 -3.174) 4.057 7.943 ( -3.714 -1.601 -3.682) 5.470 8.089 ( 2.321 -5.132 0.010) 5.632 8.127 ( -0.475 -5.605 -0.057) 5.626 8.262 ( -0.319 -8.596 -2.817) 9.051 8.824 ( 7.784 10.485 8.304) 15.475 9.116 ( 6.531 22.644 0.859) 23.583 9.281 ( 4.676 -10.383 9.315) 14.712 9.516 ( -5.463 3.337 9.368) 11.346 9.768 ( 10.207 -7.712 20.744) 24.372 9.825 ( 6.366 -7.303 -0.280) 9.692 10.156 ( 19.413 12.510 18.863) 29.819 10.707 ( -20.080 12.769 -19.600) 30.829 11.152 ( 3.396 -29.014 4.765) 29.598 11.424 ( -8.216 -19.802 -9.476) 23.439 12.148 ( 0.622 1.702 -3.587) 4.019 12.267 ( 0.234 -2.887 -3.793) 4.772 14.200 ( 2.150 8.345 2.875) 9.084 14.444 ( -4.453 -0.219 -5.515) 7.092 14.529 ( -2.408 9.584 -1.990) 10.080 14.752 ( -4.164 -0.880 -3.220) 5.337 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 9.776 10.892 8.596) 16.973 2.028 ( 12.161 6.984 5.396) 15.026 2.379 ( 2.905 -8.238 6.532) 10.907 2.505 ( 2.851 -9.344 -2.701) 10.136 2.511 ( -2.695 -2.042 4.707) 5.795 2.818 ( -7.579 0.505 -3.877) 8.528 2.851 ( -2.179 -4.875 0.375) 5.353 2.892 ( -5.608 -4.963 2.745) 7.976 3.215 ( -2.521 -0.573 -7.724) 8.145 3.345 ( -0.386 6.402 3.145) 7.144 3.573 ( -0.501 1.030 -2.954) 3.168 3.642 ( 4.236 -3.362 -9.222) 10.691 3.784 ( -3.258 -0.011 1.996) 3.821 3.830 ( -2.095 -0.234 1.542) 2.612 4.041 ( 2.550 -1.324 -8.403) 8.880 4.071 ( -2.670 -8.332 7.372) 11.441 4.219 ( -0.109 -2.251 -4.695) 5.208 4.519 ( 7.145 -3.439 -8.650) 11.734 4.826 ( 7.247 7.153 -9.807) 14.137 4.864 ( -1.789 10.781 -1.606) 11.046 4.940 ( 0.840 4.943 -1.707) 5.297 5.041 ( -7.307 0.609 -1.018) 7.403 5.275 ( 1.950 0.070 -4.901) 5.275 5.507 ( -5.540 1.072 -13.717) 14.832 5.606 ( -0.934 14.852 -3.945) 15.395 5.761 ( 3.131 3.017 1.029) 4.468 6.053 ( -6.131 0.394 -4.770) 7.778 6.278 ( -6.480 -3.892 -2.533) 7.972 6.411 ( 10.889 3.404 1.358) 11.489 6.571 ( 6.424 1.615 2.493) 7.077 6.706 ( 3.297 3.357 1.180) 4.851 6.786 ( -1.094 1.618 1.496) 2.460 6.834 ( 1.864 -2.404 -0.597) 3.099 7.058 ( -2.311 4.116 2.278) 5.241 7.146 ( -1.603 -0.368 0.230) 1.661 7.180 ( 1.083 -1.660 9.408) 9.615 7.403 ( 2.276 2.372 -0.401) 3.312 7.463 ( -1.022 -1.349 0.787) 1.867 7.751 ( -1.580 -1.996 -0.067) 2.547 7.870 ( -3.104 -2.176 0.535) 3.828 7.900 ( 2.852 -2.822 0.106) 4.014 8.076 ( -2.045 -4.167 4.990) 6.815 8.157 ( 2.448 -6.906 0.152) 7.329 8.266 ( -0.030 -9.541 3.009) 10.004 8.975 ( 7.037 10.033 6.104) 13.691 9.245 ( 5.733 13.757 -1.287) 14.960 9.358 ( -3.178 8.624 1.967) 9.400 9.443 ( 6.230 -0.525 7.829) 10.019 9.710 ( -5.976 -7.585 6.231) 11.492 10.193 ( 6.224 -0.134 -2.485) 6.703 10.372 ( 0.723 4.699 -3.426) 5.860 10.631 ( 25.615 7.350 21.734) 34.388 11.254 ( -2.758 -25.467 -1.931) 25.689 11.272 ( 2.457 -23.555 2.463) 23.811 12.028 ( -12.499 1.824 7.935) 14.917 12.148 ( -11.831 -2.890 7.058) 14.077 14.276 ( 5.407 6.185 -5.415) 9.840 14.386 ( -1.209 3.379 -11.933) 12.461 14.478 ( -2.622 8.875 -6.413) 11.260 14.656 ( -5.450 0.056 -6.165) 8.228 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 8.589 5.508 7.986) 12.957 2.267 ( 9.766 3.632 0.935) 10.461 2.333 ( -4.863 4.184 6.464) 9.107 2.464 ( -3.964 0.931 -2.263) 4.659 2.593 ( 4.426 -4.616 -1.924) 6.678 2.673 ( -4.121 -4.200 -0.026) 5.885 2.736 ( -4.860 -8.254 2.791) 9.977 2.789 ( -6.112 -15.526 8.562) 18.754 3.251 ( 5.205 6.599 -3.242) 9.008 3.338 ( -1.722 7.827 4.631) 9.256 3.545 ( 0.035 3.794 -3.337) 5.053 3.613 ( -5.717 0.153 -2.108) 6.095 3.826 ( 5.666 -9.828 -6.366) 13.008 3.851 ( 1.769 -6.743 2.316) 7.346 4.014 ( -1.440 -9.439 -1.797) 9.715 4.056 ( -3.210 -8.999 -12.808) 15.979 4.295 ( 10.454 6.458 -3.724) 12.840 4.560 ( -11.041 6.739 -6.476) 14.465 4.769 ( -0.088 -8.412 -8.682) 12.089 4.823 ( -2.705 -0.121 -5.390) 6.032 5.079 ( 11.618 8.026 -11.872) 18.449 5.138 ( 10.910 11.403 -0.874) 15.805 5.297 ( -2.595 5.367 -3.919) 7.134 5.355 ( -8.485 5.358 -15.090) 18.122 5.613 ( 1.806 10.697 -3.794) 11.492 5.716 ( -7.448 7.090 -1.190) 10.352 6.005 ( 3.303 -0.162 -1.786) 3.758 6.125 ( -7.672 -1.266 -2.938) 8.312 6.599 ( 6.383 3.673 2.370) 7.736 6.668 ( -0.465 5.440 4.451) 7.044 6.761 ( 7.486 0.784 -1.775) 7.733 6.836 ( 4.232 -0.943 3.501) 5.573 6.871 ( 0.888 -1.819 0.394) 2.062 6.942 ( -8.329 3.724 0.403) 9.132 7.104 ( -0.843 -0.994 2.603) 2.911 7.146 ( -3.909 -2.172 3.660) 5.779 7.441 ( 1.542 3.492 -0.063) 3.818 7.467 ( -0.309 2.989 0.471) 3.041 7.762 ( 2.544 -4.365 3.908) 6.387 7.817 ( -2.569 -2.359 3.499) 4.941 7.963 ( 3.604 -5.240 2.523) 6.842 8.033 ( -2.827 -6.956 5.588) 9.360 8.204 ( 2.431 -7.043 3.475) 8.222 8.249 ( -1.747 -9.336 5.570) 11.011 9.102 ( 5.900 8.560 5.046) 11.556 9.216 ( -5.731 7.022 5.093) 10.396 9.410 ( 7.410 1.225 2.326) 7.863 9.567 ( -7.827 -5.696 5.498) 11.132 9.653 ( 12.777 15.504 -4.468) 20.581 9.939 ( -15.677 19.826 -12.050) 28.001 10.743 ( 19.461 -22.171 2.508) 29.607 11.034 ( -6.848 -24.056 -1.420) 25.052 11.195 ( 21.878 0.578 17.837) 28.234 11.492 ( 14.709 -12.525 12.134) 22.814 11.676 ( -21.980 2.471 16.041) 27.323 11.836 ( -18.165 -4.566 13.278) 22.959 14.388 ( 1.717 5.891 -13.040) 14.412 14.399 ( 5.179 4.612 -10.119) 12.267 14.432 ( -1.153 6.853 -10.125) 12.280 14.538 ( -6.456 1.540 -8.557) 10.829 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.000 -14.688 10.441) 18.021 1.880 ( 0.000 14.688 10.441) 18.021 2.022 ( 0.000 -15.740 11.488) 19.487 2.022 ( 0.000 15.740 11.488) 19.487 2.419 ( 0.000 -0.534 -1.342) 1.444 2.419 ( 0.000 0.534 -1.342) 1.444 3.167 ( 0.000 -2.197 -6.936) 7.276 3.167 ( 0.000 2.197 -6.936) 7.276 3.214 ( 0.000 -11.986 -2.040) 12.158 3.214 ( 0.000 11.986 -2.040) 12.158 3.715 ( 0.000 -4.618 -1.294) 4.796 3.715 ( 0.000 4.618 -1.294) 4.796 3.885 ( 0.000 -4.062 -12.114) 12.777 3.885 ( 0.000 4.062 -12.114) 12.777 4.403 ( 0.000 -9.559 -4.293) 10.479 4.403 ( 0.000 9.559 -4.293) 10.479 4.574 ( 0.000 -9.989 6.128) 11.719 4.574 ( 0.000 9.989 6.128) 11.719 4.710 ( 0.000 -0.374 -4.959) 4.973 4.710 ( 0.000 0.374 -4.959) 4.973 5.063 ( 0.000 -7.431 -6.072) 9.596 5.063 ( 0.000 7.431 -6.072) 9.596 5.359 ( 0.000 -0.848 6.020) 6.079 5.359 ( 0.000 0.848 6.020) 6.079 5.681 ( 0.000 -15.055 5.794) 16.131 5.681 ( 0.000 15.055 5.794) 16.131 5.823 ( 0.000 -1.944 15.052) 15.177 5.823 ( 0.000 1.944 15.052) 15.177 6.455 ( 0.000 -8.116 -0.116) 8.117 6.455 ( 0.000 8.116 -0.116) 8.117 6.640 ( 0.000 -1.931 2.937) 3.515 6.640 ( 0.000 1.931 2.937) 3.515 6.913 ( 0.000 -0.152 -8.446) 8.447 6.913 ( 0.000 0.152 -8.446) 8.447 7.346 ( 0.000 -4.756 2.413) 5.333 7.346 ( 0.000 4.756 2.413) 5.333 7.499 ( 0.000 -5.250 -2.366) 5.758 7.499 ( 0.000 5.250 -2.366) 5.758 7.741 ( 0.000 -13.140 -4.055) 13.751 7.741 ( 0.000 13.140 -4.055) 13.751 7.910 ( 0.000 -1.158 -7.178) 7.271 7.910 ( 0.000 1.158 -7.178) 7.271 8.192 ( 0.000 -6.443 -8.477) 10.647 8.192 ( 0.000 6.443 -8.477) 10.647 8.849 ( 0.000 -10.267 14.599) 17.848 8.849 ( 0.000 10.267 14.599) 17.848 9.273 ( 0.000 -0.024 21.201) 21.201 9.273 ( 0.000 0.024 21.201) 21.201 9.731 ( 0.000 -2.097 0.773) 2.235 9.731 ( 0.000 2.097 0.773) 2.235 10.345 ( 0.000 -31.154 7.076) 31.947 10.345 ( 0.000 31.154 7.076) 31.947 11.642 ( 0.000 -4.528 -21.782) 22.248 11.642 ( 0.000 4.528 -21.782) 22.248 11.861 ( 0.000 -1.602 -15.035) 15.121 11.861 ( 0.000 1.602 -15.035) 15.121 14.412 ( 0.000 -9.961 9.371) 13.676 14.412 ( 0.000 9.961 9.371) 13.676 14.761 ( 0.000 -6.108 1.681) 6.335 14.761 ( 0.000 6.108 1.681) 6.335 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 4.672 -13.928 9.571) 17.534 1.931 ( 4.672 13.928 9.571) 17.534 2.055 ( 3.122 -16.129 9.142) 18.801 2.055 ( 3.122 16.129 9.142) 18.801 2.461 ( 4.009 -2.418 1.213) 4.836 2.461 ( 4.009 2.418 1.213) 4.836 3.077 ( -3.191 -5.281 -4.705) 7.760 3.077 ( -3.191 5.281 -4.705) 7.760 3.379 ( 8.106 -6.202 -7.619) 12.737 3.379 ( 8.106 6.202 -7.619) 12.737 3.629 ( -6.235 -4.157 -2.346) 7.852 3.629 ( -6.235 4.157 -2.346) 7.852 3.862 ( -1.660 -2.895 -6.072) 6.929 3.862 ( -1.660 2.895 -6.072) 6.929 4.271 ( -10.994 -7.342 -2.990) 13.554 4.271 ( -10.994 7.342 -2.990) 13.554 4.437 ( -7.863 -3.331 -3.294) 9.153 4.437 ( -7.863 3.331 -3.294) 9.153 4.873 ( 7.979 -10.225 4.467) 13.718 4.873 ( 7.979 10.225 4.467) 13.718 5.075 ( -1.161 -2.224 0.816) 2.639 5.075 ( -1.161 2.224 0.816) 2.639 5.275 ( -1.260 -11.412 -2.607) 11.774 5.275 ( -1.260 11.412 -2.607) 11.774 5.705 ( 1.737 -15.109 3.420) 15.588 5.705 ( 1.737 15.109 3.420) 15.588 5.980 ( 11.082 -2.100 11.351) 16.002 5.980 ( 11.082 2.100 11.351) 16.002 6.489 ( 1.681 -11.138 -0.911) 11.301 6.489 ( 1.681 11.138 -0.911) 11.301 6.653 ( 2.710 -0.966 2.833) 4.038 6.653 ( 2.710 0.966 2.833) 4.038 6.872 ( -3.422 -2.054 -7.444) 8.447 6.872 ( -3.422 2.054 -7.444) 8.447 7.273 ( -5.023 -3.227 1.789) 6.232 7.273 ( -5.023 3.227 1.789) 6.232 7.481 ( -1.213 -3.139 -0.565) 3.412 7.481 ( -1.213 3.139 -0.565) 3.412 7.803 ( 3.495 -4.838 -2.023) 6.302 7.803 ( 3.495 4.838 -2.023) 6.302 7.953 ( 3.332 -3.016 -8.143) 9.301 7.953 ( 3.332 3.016 -8.143) 9.301 8.151 ( -3.525 -6.809 -5.771) 9.596 8.151 ( -3.525 6.809 -5.771) 9.596 8.904 ( 5.751 -10.283 12.810) 17.404 8.904 ( 5.751 10.283 12.810) 17.404 9.341 ( 6.708 -5.356 19.081) 20.923 9.341 ( 6.708 5.356 19.081) 20.923 9.712 ( -2.108 -3.938 1.785) 4.810 9.712 ( -2.108 3.938 1.785) 4.810 10.387 ( 4.586 -29.816 8.071) 31.228 10.387 ( 4.586 29.816 8.071) 31.228 11.368 ( -17.487 -10.026 -18.614) 27.437 11.368 ( -17.487 10.026 -18.614) 27.437 12.077 ( 11.313 -3.423 -13.241) 17.749 12.077 ( 11.313 3.423 -13.241) 17.749 14.393 ( -1.646 -8.963 6.441) 11.160 14.393 ( -1.646 8.963 6.441) 11.160 14.742 ( -1.881 -5.836 0.526) 6.154 14.742 ( -1.881 5.836 0.526) 6.154 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 5.865 -9.634 7.880) 13.759 2.041 ( 5.865 9.634 7.880) 13.759 2.143 ( 5.871 -13.245 5.655) 15.552 2.143 ( 5.871 13.245 5.655) 15.552 2.550 ( 3.767 -5.773 5.271) 8.677 2.550 ( 3.767 5.773 5.271) 8.677 3.039 ( -2.224 -8.041 -3.787) 9.162 3.039 ( -2.224 8.041 -3.787) 9.162 3.325 ( -7.961 -6.917 -14.549) 17.969 3.325 ( -7.961 6.917 -14.549) 17.969 3.667 ( 4.397 -9.881 0.426) 10.824 3.667 ( 4.397 9.881 0.426) 10.824 3.826 ( -1.916 -6.023 -0.064) 6.320 3.826 ( -1.916 6.023 -0.064) 6.320 4.065 ( -7.070 -4.740 -0.773) 8.546 4.065 ( -7.070 4.740 -0.773) 8.546 4.315 ( -3.968 -4.642 -5.092) 7.951 4.315 ( -3.968 4.642 -5.092) 7.951 4.879 ( -1.665 -7.091 -4.068) 8.343 4.879 ( -1.665 7.091 -4.068) 8.343 5.165 ( 5.170 -7.175 5.993) 10.683 5.165 ( 5.170 7.175 5.993) 10.683 5.264 ( -0.237 -11.840 -2.183) 12.042 5.264 ( -0.237 11.840 -2.183) 12.042 5.768 ( 3.746 -4.572 -3.693) 6.970 5.768 ( 3.746 4.572 -3.693) 6.970 6.137 ( 3.454 -3.804 1.663) 5.400 6.137 ( 3.454 3.804 1.663) 5.400 6.477 ( -0.691 -8.639 0.567) 8.685 6.477 ( -0.691 8.639 0.567) 8.685 6.746 ( 2.163 -4.962 -6.018) 8.094 6.746 ( 2.163 4.962 -6.018) 8.094 6.853 ( 4.897 -6.229 4.521) 9.122 6.853 ( 4.897 6.229 4.521) 9.122 7.195 ( -2.755 -0.107 3.934) 4.804 7.195 ( -2.755 0.107 3.934) 4.804 7.459 ( -0.832 -2.085 1.151) 2.523 7.459 ( -0.832 2.085 1.151) 2.523 7.834 ( -0.941 -1.852 -0.375) 2.111 7.834 ( -0.941 1.852 -0.375) 2.111 7.969 ( -1.622 -4.011 -7.320) 8.503 7.969 ( -1.622 4.011 -7.320) 8.503 8.107 ( -0.245 -4.481 -0.168) 4.491 8.107 ( -0.245 4.481 -0.168) 4.491 9.050 ( 7.572 -10.624 9.717) 16.267 9.050 ( 7.572 10.624 9.717) 16.267 9.540 ( 13.086 -14.686 13.371) 23.784 9.540 ( 13.086 14.686 13.371) 23.784 9.646 ( -4.155 -7.677 2.070) 8.972 9.646 ( -4.155 7.677 2.070) 8.972 10.544 ( 11.616 -23.766 11.847) 28.985 10.544 ( 11.616 23.766 11.847) 28.985 11.035 ( -15.848 -16.102 -15.438) 27.364 11.035 ( -15.848 16.102 -15.438) 27.364 12.202 ( 0.402 -2.986 -3.682) 4.758 12.202 ( 0.402 2.986 -3.682) 4.758 14.366 ( -0.493 -6.378 -1.061) 6.484 14.366 ( -0.493 6.378 -1.061) 6.484 14.691 ( -3.212 -5.130 -2.407) 6.513 14.691 ( -3.212 5.130 -2.407) 6.513 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 6.491 -5.705 6.959) 11.095 2.160 ( 6.491 5.705 6.959) 11.095 2.284 ( 8.022 -9.467 2.873) 12.737 2.284 ( 8.022 9.467 2.873) 12.737 2.567 ( -2.531 -8.682 8.191) 12.202 2.567 ( -2.531 8.682 8.191) 12.202 2.899 ( -11.189 -3.265 -3.948) 12.306 2.899 ( -11.189 3.265 -3.948) 12.306 3.298 ( 5.055 -9.037 -10.959) 15.077 3.298 ( 5.055 9.037 -10.959) 15.077 3.652 ( -3.514 -9.260 2.806) 10.294 3.652 ( -3.514 9.260 2.806) 10.294 3.778 ( -2.081 -8.109 -5.584) 10.063 3.778 ( -2.081 8.109 -5.584) 10.063 3.995 ( -4.105 -3.932 2.351) 6.151 3.995 ( -4.105 3.932 2.351) 6.151 4.319 ( 5.194 -10.791 -6.604) 13.676 4.319 ( 5.194 10.791 -6.604) 13.676 4.914 ( 1.565 -2.412 -8.768) 9.227 4.914 ( 1.565 2.412 -8.768) 9.227 5.096 ( -4.082 -2.554 -8.523) 9.789 5.096 ( -4.082 2.554 -8.523) 9.789 5.364 ( 5.214 -10.107 4.437) 12.208 5.364 ( 5.214 10.107 4.437) 12.208 5.809 ( 0.633 -3.512 -6.843) 7.718 5.809 ( 0.633 3.512 -6.843) 7.718 6.111 ( -4.993 -8.164 0.017) 9.570 6.111 ( -4.993 8.164 0.017) 9.570 6.542 ( 7.014 -4.935 -0.010) 8.576 6.542 ( 7.014 4.935 -0.010) 8.576 6.758 ( 0.964 -3.350 -1.279) 3.713 6.758 ( 0.964 3.350 -1.279) 3.713 6.967 ( 3.166 -11.771 1.629) 12.298 6.967 ( 3.166 11.771 1.629) 12.298 7.146 ( -3.131 -2.927 5.327) 6.837 7.146 ( -3.131 2.927 5.327) 6.837 7.468 ( 2.430 -0.501 3.164) 4.021 7.468 ( 2.430 0.501 3.164) 4.021 7.767 ( -4.635 -4.761 1.429) 6.796 7.767 ( -4.635 4.761 1.429) 6.796 7.963 ( 1.248 -7.440 -1.975) 7.799 7.963 ( 1.248 7.440 -1.975) 7.799 8.102 ( -0.894 -4.591 2.262) 5.196 8.102 ( -0.894 4.591 2.262) 5.196 9.177 ( 5.457 -8.665 8.574) 13.356 9.177 ( 5.457 8.665 8.574) 13.356 9.530 ( -6.159 -8.497 7.255) 12.758 9.530 ( -6.159 8.497 7.255) 12.758 9.857 ( 16.509 -23.202 -0.697) 28.484 9.857 ( 16.509 23.202 -0.697) 28.484 10.728 ( -12.793 -19.905 -11.059) 26.119 10.728 ( -12.793 19.905 -11.059) 26.119 10.864 ( 18.012 -12.274 15.503) 26.748 10.864 ( 18.012 12.274 15.503) 26.748 12.083 ( -12.116 -2.998 7.443) 14.532 12.083 ( -12.116 2.998 7.443) 14.532 14.384 ( 2.330 -3.159 -8.231) 9.119 14.384 ( 2.330 3.159 -8.231) 9.119 14.618 ( -3.991 -3.991 -6.102) 8.312 14.618 ( -3.991 3.991 -6.102) 8.312 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 7.782 -6.578 7.359) 12.569 2.303 ( 7.782 6.578 7.359) 12.569 2.438 ( 1.408 -6.772 0.125) 6.918 2.438 ( 1.408 6.772 0.125) 6.918 2.479 ( 0.651 -6.168 8.897) 10.845 2.479 ( 0.651 6.168 8.897) 10.845 2.666 ( -11.426 -1.839 -2.449) 11.830 2.666 ( -11.426 1.839 -2.449) 11.830 3.448 ( 8.477 -8.544 -3.612) 12.566 3.448 ( 8.477 8.544 -3.612) 12.566 3.580 ( -4.379 -6.602 2.533) 8.317 3.580 ( -4.379 6.602 2.533) 8.317 3.774 ( 1.918 -5.500 -7.110) 9.191 3.774 ( 1.918 5.500 -7.110) 9.191 3.867 ( -7.097 -4.899 -5.137) 10.038 3.867 ( -7.097 4.899 -5.137) 10.038 4.494 ( 11.572 -10.627 -6.531) 17.015 4.494 ( 11.572 10.627 -6.531) 17.015 4.749 ( -13.199 -5.493 -6.761) 15.814 4.749 ( -13.199 5.493 -6.761) 15.814 5.217 ( 10.499 -3.722 -14.544) 18.319 5.217 ( 10.499 3.722 -14.544) 18.319 5.379 ( -4.349 -2.256 -8.816) 10.086 5.379 ( -4.349 2.256 -8.816) 10.086 5.849 ( 4.560 -9.735 1.752) 10.892 5.849 ( 4.560 9.735 1.752) 10.892 5.979 ( -7.514 -10.808 3.110) 13.526 5.979 ( -7.514 10.808 3.110) 13.526 6.704 ( 7.653 -4.157 0.212) 8.711 6.704 ( 7.653 4.157 0.212) 8.711 6.780 ( 0.106 -4.970 0.285) 4.980 6.780 ( 0.106 4.970 0.285) 4.980 6.983 ( 0.376 -9.947 0.665) 9.977 6.983 ( 0.376 9.947 0.665) 9.977 7.049 ( -5.817 -5.279 2.968) 8.397 7.049 ( -5.817 5.279 2.968) 8.397 7.558 ( 5.874 -3.863 3.450) 7.831 7.558 ( 5.874 3.863 3.450) 7.831 7.671 ( -5.189 -6.201 2.725) 8.533 7.671 ( -5.189 6.201 2.725) 8.533 8.007 ( 2.962 -6.365 2.588) 7.483 8.007 ( 2.962 6.365 2.588) 7.483 8.066 ( -2.608 -4.639 3.757) 6.515 8.066 ( -2.608 4.639 3.757) 6.515 9.284 ( 5.641 -7.624 7.941) 12.370 9.284 ( 5.641 7.624 7.941) 12.370 9.404 ( -6.360 -8.285 7.606) 12.920 9.404 ( -6.360 8.285 7.606) 12.920 10.171 ( 14.959 -26.730 -6.879) 31.395 10.171 ( 14.959 26.730 -6.879) 31.395 10.455 ( -13.925 -25.486 -10.026) 30.724 10.455 ( -13.925 25.486 -10.026) 30.724 11.296 ( 23.498 -6.629 18.453) 30.605 11.296 ( 23.498 6.629 18.453) 30.605 11.747 ( -20.829 -3.809 15.115) 26.016 11.747 ( -20.829 3.809 15.115) 26.016 14.450 ( 4.031 -0.224 -10.822) 11.550 14.450 ( 4.031 0.224 -10.822) 11.550 14.535 ( -4.344 -2.263 -9.424) 10.621 14.535 ( -4.344 2.263 -9.424) 10.621 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.000 0.000 21.761) 21.761 1.694 ( 0.000 0.000 23.721) 23.721 2.457 ( 0.000 0.000 6.583) 6.583 2.495 ( 0.000 0.000 -5.710) 5.710 2.649 ( 0.000 0.000 6.935) 6.935 2.830 ( 0.000 0.000 -4.705) 4.705 2.933 ( 0.000 0.000 -3.942) 3.942 2.979 ( 0.000 0.000 12.828) 12.828 3.072 ( 0.000 0.000 -9.723) 9.723 3.301 ( 0.000 0.000 0.017) 0.017 3.332 ( 0.000 0.000 -7.288) 7.288 3.634 ( 0.000 0.000 -23.257) 23.257 3.771 ( 0.000 0.000 14.216) 14.216 3.898 ( 0.000 0.000 5.696) 5.696 4.178 ( 0.000 0.000 11.649) 11.649 4.278 ( 0.000 0.000 0.379) 0.379 4.382 ( 0.000 0.000 6.131) 6.131 4.385 ( 0.000 0.000 1.106) 1.106 4.604 ( 0.000 0.000 -10.230) 10.230 4.658 ( 0.000 0.000 -15.025) 15.025 4.842 ( 0.000 0.000 -0.881) 0.881 5.394 ( 0.000 0.000 -1.506) 1.506 5.511 ( 0.000 0.000 -4.333) 4.333 5.536 ( 0.000 0.000 -3.035) 3.035 5.605 ( 0.000 0.000 1.658) 1.658 5.822 ( 0.000 0.000 9.854) 9.854 6.152 ( 0.000 0.000 6.249) 6.249 6.267 ( 0.000 0.000 -3.423) 3.423 6.340 ( 0.000 0.000 7.579) 7.579 6.386 ( 0.000 0.000 10.803) 10.803 6.509 ( 0.000 0.000 1.940) 1.940 6.511 ( 0.000 0.000 -21.965) 21.965 6.757 ( 0.000 0.000 4.134) 4.134 6.897 ( 0.000 0.000 5.766) 5.766 6.978 ( 0.000 0.000 -2.038) 2.038 7.148 ( 0.000 0.000 5.820) 5.820 7.286 ( 0.000 0.000 -12.301) 12.301 7.510 ( 0.000 0.000 4.489) 4.489 7.695 ( 0.000 0.000 4.501) 4.501 7.811 ( 0.000 0.000 3.214) 3.214 7.924 ( 0.000 0.000 -4.604) 4.604 8.056 ( 0.000 0.000 -5.674) 5.674 8.067 ( 0.000 0.000 -14.783) 14.783 8.237 ( 0.000 0.000 -9.036) 9.036 8.807 ( 0.000 0.000 15.348) 15.348 8.897 ( 0.000 0.000 18.815) 18.815 9.617 ( 0.000 0.000 28.753) 28.753 9.688 ( 0.000 0.000 2.538) 2.538 9.812 ( 0.000 0.000 -3.689) 3.689 9.943 ( 0.000 0.000 21.643) 21.643 10.224 ( 0.000 0.000 2.331) 2.331 10.533 ( 0.000 0.000 -31.824) 31.824 11.260 ( 0.000 0.000 -20.063) 20.063 11.575 ( 0.000 0.000 -19.410) 19.410 12.021 ( 0.000 0.000 2.336) 2.336 12.193 ( 0.000 0.000 -2.774) 2.774 14.289 ( 0.000 0.000 14.234) 14.234 14.296 ( 0.000 0.000 4.559) 4.559 14.603 ( 0.000 0.000 -4.451) 4.451 14.779 ( 0.000 0.000 -3.410) 3.410 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 5.247 0.000 19.183) 19.888 1.713 ( 2.317 0.000 23.063) 23.179 2.461 ( -0.664 0.000 -2.508) 2.595 2.525 ( 3.727 0.000 1.298) 3.947 2.758 ( 7.622 0.000 -4.755) 8.983 2.889 ( -0.177 0.000 -7.116) 7.118 2.957 ( 8.011 0.000 3.295) 8.662 2.995 ( 1.418 0.000 6.891) 7.035 3.151 ( 9.744 0.000 2.986) 10.191 3.280 ( -1.904 0.000 0.256) 1.921 3.356 ( 1.945 0.000 -8.755) 8.969 3.617 ( -6.617 0.000 -4.984) 8.284 3.697 ( 0.163 0.000 -4.351) 4.354 3.834 ( -6.683 0.000 6.159) 9.088 4.143 ( -1.824 0.000 10.864) 11.016 4.256 ( -6.017 0.000 -1.069) 6.111 4.347 ( -3.196 0.000 3.716) 4.901 4.411 ( 7.613 0.000 0.617) 7.638 4.636 ( -0.049 0.000 1.380) 1.381 4.683 ( 1.843 0.000 -11.641) 11.786 4.905 ( 5.866 0.000 -5.622) 8.125 5.295 ( -15.039 0.000 -1.283) 15.093 5.307 ( -8.517 0.000 -1.606) 8.667 5.418 ( -6.579 0.000 -4.808) 8.149 5.583 ( -10.853 0.000 -9.402) 14.359 5.823 ( -13.420 0.000 10.973) 17.335 5.976 ( 1.404 0.000 3.028) 3.338 6.241 ( -3.048 0.000 -0.383) 3.072 6.319 ( 6.173 0.000 12.119) 13.601 6.438 ( -0.609 0.000 -10.173) 10.191 6.573 ( 6.522 0.000 -5.486) 8.523 6.724 ( 10.137 0.000 0.083) 10.137 6.802 ( 6.853 0.000 5.393) 8.721 6.852 ( -4.981 0.000 1.123) 5.106 7.047 ( 5.445 0.000 -0.530) 5.471 7.177 ( -6.865 0.000 -5.423) 8.749 7.225 ( 8.439 0.000 6.991) 10.958 7.660 ( 11.116 0.000 -0.487) 11.126 7.699 ( -0.239 0.000 3.007) 3.016 7.765 ( -4.561 0.000 -1.792) 4.900 7.993 ( 3.401 0.000 -4.849) 5.923 8.104 ( 4.575 0.000 -4.227) 6.228 8.128 ( 8.283 0.000 -8.262) 11.699 8.277 ( 4.104 0.000 -6.428) 7.627 8.720 ( -13.464 0.000 17.948) 22.437 8.787 ( -1.576 0.000 16.098) 16.175 9.705 ( 1.996 0.000 2.132) 2.921 9.735 ( -5.748 0.000 -1.008) 5.836 9.872 ( 21.007 0.000 27.031) 34.234 10.010 ( -1.006 0.000 3.071) 3.231 10.226 ( 7.544 0.000 20.795) 22.122 10.265 ( -20.890 0.000 -28.147) 35.052 11.481 ( 16.316 0.000 -19.333) 25.298 11.767 ( 16.436 0.000 -20.317) 26.133 12.025 ( 0.399 0.000 2.173) 2.210 12.198 ( 0.536 0.000 -2.976) 3.024 14.248 ( -3.949 0.000 13.081) 13.664 14.248 ( -4.664 0.000 2.845) 5.463 14.466 ( -13.066 0.000 -3.601) 13.553 14.741 ( -3.756 0.000 -4.074) 5.541 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 7.532 0.000 12.713) 14.777 1.800 ( 6.620 0.000 18.338) 19.496 2.393 ( -6.596 0.000 -11.766) 13.488 2.642 ( 7.296 0.000 8.843) 11.464 2.797 ( -3.062 0.000 -12.198) 12.576 2.876 ( 0.572 0.000 2.926) 2.981 3.028 ( -1.608 0.000 -2.540) 3.006 3.172 ( 11.144 0.000 -0.359) 11.150 3.255 ( -1.752 0.000 2.132) 2.759 3.373 ( -1.534 0.000 -4.593) 4.842 3.434 ( 3.724 0.000 5.141) 6.348 3.507 ( 15.710 0.000 12.709) 20.207 3.689 ( -4.916 0.000 0.895) 4.997 3.789 ( 6.920 0.000 -14.775) 16.316 4.142 ( 1.219 0.000 6.104) 6.225 4.193 ( 0.051 0.000 -1.591) 1.591 4.278 ( -2.874 0.000 1.461) 3.224 4.468 ( -3.276 0.000 3.513) 4.804 4.632 ( 0.486 0.000 3.225) 3.261 4.690 ( -3.325 0.000 -4.555) 5.639 4.980 ( -15.288 0.000 -5.902) 16.388 4.995 ( -3.001 0.000 -4.651) 5.535 5.162 ( 1.562 0.000 -1.136) 1.932 5.275 ( -11.685 0.000 -1.630) 11.798 5.313 ( -12.699 0.000 -13.213) 18.326 5.474 ( -12.201 0.000 6.370) 13.764 6.028 ( -5.335 0.000 -3.596) 6.434 6.228 ( 3.506 0.000 -5.101) 6.190 6.401 ( -0.643 0.000 -10.625) 10.644 6.509 ( 10.422 0.000 11.534) 15.546 6.616 ( -2.384 0.000 -0.883) 2.543 6.813 ( 0.679 0.000 0.018) 0.680 6.818 ( 3.041 0.000 2.608) 4.006 6.990 ( 4.613 0.000 -2.047) 5.047 7.092 ( 1.094 0.000 0.591) 1.243 7.113 ( -0.209 0.000 -1.561) 1.575 7.397 ( 7.186 0.000 6.646) 9.789 7.660 ( -3.245 0.000 -0.139) 3.248 7.722 ( 1.940 0.000 -0.630) 2.040 7.906 ( 13.690 0.000 0.243) 13.692 8.030 ( 1.747 0.000 -7.197) 7.406 8.210 ( 4.840 0.000 -0.110) 4.841 8.294 ( 5.766 0.000 0.351) 5.776 8.443 ( 12.789 0.000 -4.068) 13.421 8.472 ( -9.995 0.000 13.880) 17.104 8.755 ( -1.750 0.000 16.137) 16.232 9.580 ( -9.194 0.000 -3.738) 9.925 9.762 ( 1.880 0.000 6.236) 6.513 9.790 ( -23.466 0.000 -26.067) 35.073 9.951 ( -0.801 0.000 -2.636) 2.756 10.383 ( 26.984 0.000 27.092) 38.238 10.542 ( 21.569 0.000 28.664) 35.872 11.765 ( 10.597 0.000 -12.506) 16.392 12.036 ( 0.690 0.000 1.947) 2.066 12.103 ( 14.938 0.000 -16.528) 22.278 12.220 ( 1.695 0.000 -3.478) 3.869 14.114 ( -10.879 0.000 -2.371) 11.135 14.144 ( -15.421 0.000 -3.958) 15.921 14.151 ( -5.055 0.000 8.959) 10.286 14.633 ( -6.968 0.000 -5.857) 9.102 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 6.415 0.000 4.620) 7.905 1.973 ( 10.633 0.000 9.957) 14.567 2.217 ( -10.158 0.000 -9.889) 14.177 2.688 ( -8.045 0.000 -11.990) 14.440 2.783 ( 6.147 0.000 8.012) 10.098 2.908 ( 1.785 0.000 6.614) 6.850 2.941 ( -4.629 0.000 1.610) 4.901 3.109 ( -9.153 0.000 7.629) 11.916 3.296 ( -0.338 0.000 4.985) 4.996 3.379 ( 6.368 0.000 -0.563) 6.393 3.603 ( 13.498 0.000 1.674) 13.601 3.678 ( 2.185 0.000 -10.533) 10.758 3.884 ( 9.430 0.000 -11.875) 15.164 3.989 ( 16.657 0.000 -4.536) 17.264 4.126 ( -4.472 0.000 -9.104) 10.143 4.253 ( 5.460 0.000 2.853) 6.160 4.275 ( 2.248 0.000 4.556) 5.080 4.367 ( -4.255 0.000 6.174) 7.498 4.452 ( -15.960 0.000 4.275) 16.523 4.607 ( -3.500 0.000 1.826) 3.948 4.836 ( -10.600 0.000 6.361) 12.362 4.838 ( -0.554 0.000 -8.116) 8.135 4.966 ( -11.241 0.000 0.112) 11.241 5.114 ( -7.863 0.000 -12.370) 14.657 5.289 ( 3.340 0.000 -6.807) 7.582 5.438 ( 6.488 0.000 -2.755) 7.049 5.824 ( -13.029 0.000 -6.062) 14.370 6.164 ( -9.071 0.000 -10.863) 14.152 6.510 ( 7.861 0.000 -1.223) 7.956 6.591 ( 1.621 0.000 -4.014) 4.329 6.690 ( 7.418 0.000 9.565) 12.104 6.774 ( -4.615 0.000 2.317) 5.164 6.860 ( 0.810 0.000 3.317) 3.414 6.995 ( 0.647 0.000 -2.001) 2.103 7.046 ( -5.634 0.000 -2.949) 6.359 7.172 ( 2.454 0.000 -0.403) 2.487 7.491 ( 2.767 0.000 4.971) 5.689 7.613 ( -1.768 0.000 -0.236) 1.784 7.824 ( 7.494 0.000 0.676) 7.525 8.068 ( 1.463 0.000 -3.424) 3.724 8.178 ( 9.232 0.000 9.922) 13.553 8.252 ( 3.494 0.000 -2.156) 4.106 8.388 ( 1.492 0.000 5.874) 6.060 8.397 ( 5.278 0.000 3.129) 6.135 8.704 ( 10.817 0.000 -2.547) 11.113 8.708 ( -1.463 0.000 11.431) 11.524 9.335 ( -21.875 0.000 -21.498) 30.671 9.382 ( -10.515 0.000 -3.649) 11.130 9.786 ( 2.035 0.000 6.839) 7.136 9.973 ( 1.019 0.000 2.626) 2.817 10.933 ( 27.505 0.000 23.969) 36.484 11.041 ( 27.953 0.000 26.525) 38.535 11.873 ( 0.326 0.000 -3.477) 3.493 12.055 ( 1.416 0.000 2.231) 2.643 12.240 ( -0.784 0.000 -0.448) 0.903 12.276 ( 0.588 0.000 -2.619) 2.684 13.807 ( -12.341 0.000 -11.479) 16.854 13.954 ( -8.916 0.000 -8.859) 12.569 14.083 ( -0.902 0.000 1.171) 1.478 14.472 ( -9.059 0.000 -8.036) 12.110 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 5.635 0.000 -2.477) 6.155 2.029 ( -8.171 0.000 -6.793) 10.626 2.212 ( 13.099 0.000 0.993) 13.137 2.475 ( -12.792 0.000 -7.152) 14.656 2.872 ( 3.025 0.000 7.862) 8.424 2.899 ( 0.597 0.000 5.610) 5.641 2.914 ( -1.214 0.000 9.059) 9.140 2.960 ( -5.463 0.000 7.589) 9.351 3.369 ( 6.874 0.000 5.021) 8.513 3.455 ( -0.009 0.000 0.542) 0.542 3.742 ( 4.849 0.000 -14.316) 15.115 3.884 ( 12.913 0.000 -6.014) 14.244 3.923 ( -13.250 0.000 -16.534) 21.188 3.991 ( 2.659 0.000 -10.751) 11.075 4.151 ( 0.596 0.000 -7.572) 7.596 4.289 ( -7.657 0.000 7.458) 10.689 4.290 ( -0.860 0.000 6.752) 6.806 4.302 ( -0.301 0.000 3.841) 3.853 4.361 ( 4.923 0.000 4.938) 6.973 4.519 ( -8.224 0.000 5.448) 9.865 4.748 ( 10.590 0.000 3.551) 11.169 4.876 ( 4.029 0.000 -7.316) 8.352 4.897 ( -1.726 0.000 -0.730) 1.874 4.980 ( -6.027 0.000 -9.616) 11.349 5.307 ( 1.899 0.000 -7.859) 8.085 5.461 ( -11.473 0.000 -13.658) 17.837 5.717 ( 9.058 0.000 0.649) 9.081 5.945 ( -12.071 0.000 -5.882) 13.428 6.590 ( 2.798 0.000 0.148) 2.802 6.658 ( -3.243 0.000 1.974) 3.797 6.742 ( 7.561 0.000 -4.203) 8.651 6.797 ( 3.603 0.000 6.471) 7.406 6.848 ( -1.701 0.000 4.008) 4.354 6.908 ( -8.052 0.000 -4.168) 9.067 7.057 ( 5.048 0.000 0.117) 5.050 7.155 ( -3.765 0.000 0.398) 3.786 7.535 ( 2.111 0.000 2.398) 3.195 7.577 ( -2.009 0.000 0.480) 2.065 7.972 ( 6.548 0.000 2.027) 6.854 8.063 ( -2.338 0.000 0.293) 2.357 8.236 ( 3.413 0.000 8.421) 9.087 8.310 ( -2.599 0.000 4.977) 5.615 8.509 ( 5.854 0.000 5.270) 7.877 8.586 ( 16.118 0.000 -6.170) 17.259 8.621 ( -5.238 0.000 9.305) 10.677 8.932 ( -18.766 0.000 -14.528) 23.732 8.942 ( 11.508 0.000 -5.876) 12.921 9.167 ( -11.179 0.000 -5.018) 12.254 9.861 ( 4.992 0.000 8.852) 10.162 9.951 ( -3.292 0.000 7.416) 8.114 11.437 ( 22.345 0.000 17.394) 28.317 11.608 ( 27.950 0.000 21.878) 35.495 11.774 ( -10.840 0.000 6.358) 12.567 12.089 ( -18.665 0.000 13.698) 23.152 12.097 ( 2.994 0.000 2.779) 4.085 12.176 ( -4.666 0.000 3.709) 5.960 13.695 ( 0.761 0.000 -18.588) 18.604 13.788 ( -7.337 0.000 -15.793) 17.414 14.133 ( 5.716 0.000 -6.437) 8.609 14.287 ( -9.138 0.000 -9.088) 12.887 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 7.641 16.738) 18.399 1.773 ( 0.000 7.027 21.345) 22.472 2.446 ( 0.000 -4.231 -8.428) 9.431 2.477 ( 0.000 1.047 5.221) 5.325 2.628 ( 0.000 -13.218 2.514) 13.455 2.741 ( 0.000 6.839 1.416) 6.984 2.888 ( 0.000 -9.128 9.732) 13.343 2.910 ( 0.000 0.560 -13.473) 13.484 3.235 ( 0.000 -3.852 0.417) 3.874 3.262 ( 0.000 2.002 -1.645) 2.591 3.334 ( 0.000 10.838 0.268) 10.842 3.591 ( 0.000 -4.564 -15.191) 15.862 3.854 ( 0.000 6.632 5.379) 8.539 3.956 ( 0.000 -4.668 0.664) 4.715 4.092 ( 0.000 3.950 4.502) 5.989 4.185 ( 0.000 -0.130 12.956) 12.957 4.391 ( 0.000 0.447 -2.577) 2.616 4.553 ( 0.000 -2.486 -6.444) 6.907 4.600 ( 0.000 -0.287 -10.035) 10.039 4.702 ( 0.000 16.059 1.664) 16.145 5.020 ( 0.000 9.343 -8.073) 12.347 5.193 ( 0.000 -12.208 -2.393) 12.440 5.397 ( 0.000 -5.018 -2.807) 5.750 5.489 ( 0.000 -9.500 7.572) 12.149 5.723 ( 0.000 10.391 -1.771) 10.541 5.925 ( 0.000 0.593 9.520) 9.538 6.172 ( 0.000 2.649 12.145) 12.431 6.193 ( 0.000 -6.727 -0.668) 6.761 6.334 ( 0.000 2.936 9.625) 10.063 6.370 ( 0.000 4.823 1.878) 5.176 6.481 ( 0.000 -2.560 -20.906) 21.062 6.667 ( 0.000 4.981 -0.165) 4.984 6.778 ( 0.000 3.232 6.393) 7.164 6.847 ( 0.000 -7.346 -0.477) 7.362 7.027 ( 0.000 9.360 0.250) 9.363 7.142 ( 0.000 0.574 4.287) 4.325 7.403 ( 0.000 7.143 -12.619) 14.501 7.514 ( 0.000 0.077 3.853) 3.854 7.664 ( 0.000 -3.849 5.188) 6.459 7.771 ( 0.000 -1.120 1.123) 1.586 7.886 ( 0.000 -3.183 -4.656) 5.641 7.928 ( 0.000 -6.520 -12.204) 13.837 8.118 ( 0.000 -1.026 -6.802) 6.878 8.222 ( 0.000 -1.470 -8.253) 8.383 8.822 ( 0.000 2.463 15.376) 15.572 9.081 ( 0.000 15.037 16.066) 22.005 9.590 ( 0.000 -5.794 20.063) 20.883 9.673 ( 0.000 -0.398 9.867) 9.875 9.738 ( 0.000 -2.927 -2.508) 3.855 9.944 ( 0.000 0.665 20.321) 20.332 10.161 ( 0.000 -5.381 5.310) 7.560 10.654 ( 0.000 9.770 -28.984) 30.587 11.276 ( 0.000 1.338 -19.976) 20.021 11.562 ( 0.000 -1.247 -19.382) 19.422 11.775 ( 0.000 -21.103 3.041) 21.321 12.026 ( 0.000 -13.687 -4.979) 14.564 14.303 ( 0.000 3.623 10.320) 10.937 14.443 ( 0.000 9.741 6.649) 11.793 14.626 ( 0.000 1.162 -3.285) 3.485 14.811 ( 0.000 2.500 -2.838) 3.782 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 5.499 7.462 14.913) 17.559 1.791 ( 2.262 7.111 20.531) 21.845 2.430 ( -0.774 -2.855 -7.308) 7.884 2.529 ( 4.300 0.034 4.090) 5.935 2.662 ( 3.233 -14.493 -0.454) 14.856 2.812 ( 1.008 2.076 -8.164) 8.484 2.919 ( 4.115 2.477 -3.796) 6.122 2.993 ( 9.593 -5.790 11.834) 16.297 3.207 ( -2.307 -4.696 0.191) 5.236 3.266 ( -0.055 0.629 -1.028) 1.207 3.359 ( 2.888 8.013 -1.323) 8.620 3.595 ( 1.442 -6.173 -11.132) 12.810 3.756 ( -5.055 7.281 -1.503) 8.990 3.940 ( -5.283 7.672 6.393) 11.298 4.108 ( -0.414 -10.162 6.800) 12.234 4.198 ( 1.638 4.009 7.232) 8.430 4.274 ( -5.942 1.176 -4.302) 7.430 4.489 ( -4.019 -1.570 -4.563) 6.280 4.648 ( -0.581 3.879 -2.136) 4.466 4.755 ( 2.240 5.242 -1.112) 5.808 5.005 ( 0.336 5.323 -6.242) 8.210 5.132 ( -4.889 -5.533 -3.900) 8.350 5.304 ( -2.866 -6.141 -4.190) 7.968 5.464 ( -11.794 4.218 1.704) 12.641 5.696 ( -0.527 7.683 -2.448) 8.081 5.760 ( -10.292 -4.624 9.703) 14.881 6.064 ( -10.880 7.181 0.764) 13.059 6.258 ( -3.139 0.603 0.106) 3.198 6.331 ( 5.967 -0.213 -3.128) 6.740 6.407 ( 7.610 -3.066 9.855) 12.823 6.527 ( 3.414 0.563 -10.346) 10.909 6.725 ( 2.089 -0.354 1.801) 2.781 6.849 ( 2.834 1.963 5.753) 6.707 6.877 ( 4.770 -1.446 1.160) 5.117 7.057 ( 5.155 5.656 -4.339) 8.797 7.162 ( 0.301 0.783 4.653) 4.728 7.339 ( -1.422 6.391 -1.387) 6.692 7.604 ( 4.527 -4.223 -1.935) 6.486 7.698 ( 4.204 -0.671 1.228) 4.431 7.744 ( -4.530 -1.322 -2.629) 5.402 7.921 ( 3.940 -5.348 -3.122) 7.340 8.002 ( 6.206 -4.207 -9.772) 12.317 8.172 ( 5.086 -1.080 -2.091) 5.604 8.264 ( 4.939 -1.849 -5.366) 7.523 8.820 ( 0.041 3.868 15.011) 15.501 8.905 ( -12.478 15.077 15.267) 24.822 9.619 ( -1.124 -8.647 6.940) 11.145 9.694 ( -2.231 -1.464 -6.623) 7.140 9.859 ( 12.837 -2.146 19.533) 23.472 10.023 ( 5.794 3.213 9.532) 11.609 10.180 ( 6.439 -3.409 20.067) 21.349 10.404 ( -17.553 10.259 -22.779) 30.533 11.472 ( 13.406 -1.959 -17.871) 22.426 11.718 ( 11.880 -6.225 -16.245) 21.066 11.788 ( 2.577 -18.319 0.053) 18.499 12.051 ( 2.957 -10.746 -6.402) 12.853 14.261 ( -4.000 3.645 9.004) 10.505 14.398 ( -4.445 9.798 5.229) 11.963 14.516 ( -10.721 3.213 -2.986) 11.584 14.765 ( -4.277 1.952 -3.465) 5.840 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 8.238 7.638 10.755) 15.552 1.877 ( 6.487 7.040 15.888) 18.549 2.406 ( -2.427 0.561 -10.944) 11.224 2.609 ( 2.586 -4.192 5.536) 7.410 2.735 ( -3.082 -8.181 -1.226) 8.828 2.755 ( 3.085 -6.046 -4.963) 8.409 2.979 ( 0.252 2.797 -3.449) 4.448 3.106 ( -3.222 -2.314 8.822) 9.673 3.263 ( 8.125 -10.878 -0.800) 13.601 3.322 ( 6.451 -1.958 3.630) 7.657 3.399 ( 1.272 1.783 -3.372) 4.021 3.656 ( 1.556 -1.739 -2.354) 3.314 3.701 ( 0.212 7.484 -7.904) 10.887 3.875 ( 5.014 9.918 6.347) 12.798 4.088 ( -1.301 -11.146 1.034) 11.270 4.163 ( -4.661 -1.492 4.277) 6.499 4.228 ( 0.274 1.136 -4.666) 4.810 4.400 ( -6.176 -5.092 -3.045) 8.565 4.585 ( -3.345 8.469 4.983) 10.379 4.733 ( -2.166 -3.188 -1.139) 4.019 4.988 ( -7.508 -1.283 -10.724) 13.153 5.117 ( 5.983 2.876 1.754) 6.866 5.200 ( -12.068 9.452 -3.063) 15.632 5.274 ( -3.255 -2.435 -4.934) 6.393 5.486 ( -17.157 5.964 6.186) 19.189 5.554 ( -5.139 15.239 -6.034) 17.177 6.003 ( -3.214 -1.262 -3.368) 4.824 6.217 ( 0.918 -0.315 -3.297) 3.436 6.383 ( 0.195 -1.013 -11.370) 11.417 6.528 ( 1.821 -7.329 0.393) 7.562 6.608 ( 7.572 6.779 10.029) 14.278 6.778 ( 2.648 -2.015 1.170) 3.527 6.872 ( 2.042 2.573 3.421) 4.743 7.012 ( 4.607 0.809 -0.474) 4.702 7.115 ( -3.378 4.333 0.832) 5.557 7.162 ( 3.071 3.471 -2.249) 5.152 7.383 ( 3.895 -1.684 4.248) 6.004 7.619 ( -2.774 -3.708 0.595) 4.669 7.707 ( 3.330 -0.852 -1.533) 3.764 7.836 ( 8.668 -3.875 -1.769) 9.658 7.963 ( 1.392 -5.880 -4.542) 7.559 8.141 ( 5.771 -4.187 -4.315) 8.334 8.275 ( 5.407 -1.204 5.084) 7.519 8.429 ( 9.753 -3.989 0.190) 10.539 8.691 ( -7.376 15.718 10.165) 20.119 8.834 ( 1.128 8.990 11.594) 14.715 9.521 ( -8.301 -3.706 -3.361) 9.693 9.683 ( -0.102 -4.457 3.630) 5.749 9.906 ( -1.317 -3.685 -3.154) 5.026 9.952 ( -18.068 10.765 -19.115) 28.421 10.392 ( 23.879 -0.758 26.004) 35.313 10.538 ( 21.526 0.931 27.121) 34.638 11.670 ( 5.524 -12.370 -9.664) 16.641 11.790 ( 1.354 -20.391 2.708) 20.615 12.001 ( 10.705 -6.117 -12.752) 17.738 12.160 ( 7.504 -2.853 -9.629) 12.537 14.161 ( -5.492 3.957 4.231) 7.983 14.236 ( -14.983 7.441 -3.674) 17.128 14.284 ( -7.594 9.683 0.999) 12.346 14.651 ( -7.094 1.410 -5.403) 9.028 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 7.305 8.773 5.456) 12.653 2.043 ( 9.808 6.348 8.161) 14.251 2.306 ( -7.360 7.147 -9.057) 13.685 2.585 ( -4.610 -5.250 -3.707) 7.909 2.694 ( 0.414 -9.306 2.451) 9.633 2.808 ( -0.959 -6.833 2.319) 7.280 3.000 ( 3.799 0.180 2.761) 4.700 3.034 ( -2.915 -0.101 6.708) 7.315 3.276 ( -4.450 -0.967 4.049) 6.094 3.380 ( 5.065 -7.116 -0.494) 8.748 3.597 ( 10.296 -9.454 -4.607) 14.718 3.615 ( -2.547 5.994 1.490) 6.681 3.748 ( 2.095 -8.373 -12.656) 15.319 4.041 ( -2.930 -12.542 1.864) 13.014 4.063 ( 1.034 -4.813 2.064) 5.337 4.136 ( 9.782 7.077 -7.568) 14.249 4.212 ( -3.366 -3.482 -1.035) 4.952 4.295 ( -1.771 0.382 -2.635) 3.197 4.569 ( -0.158 9.473 1.662) 9.619 4.718 ( -0.583 -0.946 0.605) 1.265 4.789 ( -7.968 0.098 -2.821) 8.453 4.958 ( -11.069 6.399 -5.787) 14.034 5.096 ( -5.861 8.058 -5.586) 11.423 5.272 ( -0.472 12.434 1.402) 12.522 5.283 ( -1.150 -0.506 0.252) 1.282 5.576 ( 6.155 12.792 -4.623) 14.930 5.825 ( -12.576 1.573 -7.410) 14.681 6.155 ( -8.214 0.290 -9.541) 12.593 6.477 ( 8.082 -2.304 -1.237) 8.494 6.559 ( 2.987 -2.359 -3.869) 5.427 6.744 ( 1.525 0.871 5.196) 5.485 6.801 ( 2.513 4.547 6.349) 8.204 6.913 ( 1.496 3.045 4.184) 5.387 7.019 ( -4.715 -1.320 -1.816) 5.222 7.057 ( -0.016 5.727 -1.279) 5.868 7.191 ( 0.457 1.322 -1.073) 1.763 7.453 ( 2.733 -3.044 3.164) 5.171 7.569 ( -2.113 -3.548 0.588) 4.171 7.802 ( 4.904 -1.397 1.076) 5.211 7.981 ( -0.045 -6.515 -1.236) 6.632 8.039 ( 11.116 -9.260 2.423) 14.669 8.234 ( 5.081 -2.489 -0.007) 5.658 8.353 ( 1.079 -1.540 10.183) 10.355 8.565 ( 3.352 -2.918 2.973) 5.347 8.662 ( 3.752 11.366 1.513) 12.065 8.884 ( 4.835 12.752 3.502) 14.080 9.318 ( -11.907 1.458 -5.147) 13.054 9.531 ( -15.925 10.510 -15.471) 24.564 9.741 ( 1.388 -3.657 6.265) 7.385 9.938 ( 0.851 -2.909 2.282) 3.793 10.883 ( 24.988 -7.326 22.047) 34.120 11.031 ( 26.706 0.948 25.251) 36.766 11.701 ( -1.725 -19.443 -3.896) 19.904 11.834 ( 3.428 -17.299 4.042) 18.092 12.112 ( -0.333 -4.823 -1.721) 5.132 12.257 ( -0.128 -1.745 -2.044) 2.691 13.965 ( -10.274 11.264 -10.186) 18.335 14.063 ( -5.146 7.059 -6.300) 10.770 14.152 ( -4.240 7.046 -1.462) 8.353 14.490 ( -8.903 1.428 -7.808) 11.928 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 5.918 10.291 -0.780) 11.897 2.149 ( -6.538 10.031 -4.955) 12.958 2.254 ( 10.044 3.650 0.822) 10.718 2.449 ( -8.891 -1.385 -4.094) 9.886 2.713 ( 1.659 -8.960 4.939) 10.365 2.761 ( -2.850 -7.211 5.591) 9.559 3.013 ( 0.994 2.067 6.145) 6.559 3.048 ( -1.070 3.579 6.368) 7.383 3.284 ( 6.143 -6.485 5.823) 10.663 3.415 ( -3.868 -4.992 4.451) 7.726 3.580 ( 2.209 -8.975 -8.896) 12.829 3.663 ( -4.172 -11.971 -11.749) 17.284 3.856 ( 9.344 -8.187 -5.689) 13.664 3.999 ( -3.244 -9.015 -2.530) 9.910 4.079 ( 2.768 -3.650 -2.666) 5.300 4.149 ( -2.480 -5.629 -1.687) 6.378 4.204 ( -0.729 6.166 -4.589) 7.721 4.307 ( -5.332 -2.738 2.948) 6.679 4.493 ( 1.984 4.331 -7.604) 8.974 4.608 ( -6.024 4.401 -4.692) 8.813 4.873 ( 4.783 0.362 -5.805) 7.531 4.905 ( 3.403 8.532 -0.354) 9.192 5.036 ( 2.251 8.699 -2.314) 9.278 5.160 ( -5.920 11.069 2.438) 12.788 5.363 ( 5.170 6.893 -3.602) 9.339 5.552 ( -13.490 6.157 -6.512) 16.196 5.745 ( 9.969 6.037 -3.724) 12.235 5.955 ( -10.938 2.409 -6.108) 12.758 6.591 ( 4.077 0.245 0.014) 4.085 6.672 ( -1.648 1.423 1.709) 2.769 6.699 ( 6.056 -1.645 -3.162) 7.027 6.850 ( -3.431 3.596 2.020) 5.365 6.905 ( -1.049 1.960 1.816) 2.870 6.929 ( -1.755 2.535 2.007) 3.678 7.099 ( 4.033 3.898 0.424) 5.625 7.174 ( -2.578 1.484 0.196) 2.981 7.496 ( 1.937 -3.546 2.441) 4.721 7.533 ( -1.698 -3.800 1.127) 4.312 7.883 ( 3.581 -4.323 3.035) 6.381 7.950 ( -2.899 -6.669 2.047) 7.555 8.233 ( 7.496 -7.848 6.166) 12.482 8.329 ( -2.255 -4.246 6.862) 8.379 8.377 ( 8.197 -1.157 2.318) 8.597 8.533 ( -6.002 -6.758 4.233) 9.981 8.808 ( 10.164 14.968 -5.231) 18.834 9.001 ( -0.106 8.779 -7.710) 11.685 9.089 ( -3.999 10.524 -3.118) 11.682 9.252 ( -11.860 8.744 -7.325) 16.455 9.819 ( 5.274 -3.750 8.747) 10.881 9.913 ( -3.453 -3.341 7.113) 8.584 11.336 ( 19.054 -14.488 12.461) 26.986 11.535 ( 17.407 -7.500 15.684) 24.602 11.626 ( -0.739 -14.552 6.204) 15.837 11.938 ( 6.531 -9.986 7.234) 13.953 11.966 ( -13.468 -4.686 10.602) 17.770 12.135 ( -10.506 -2.265 8.093) 13.454 13.867 ( 0.262 12.545 -15.702) 20.099 13.940 ( -6.063 11.509 -13.942) 19.068 14.167 ( 4.943 2.866 -6.723) 8.823 14.310 ( -8.749 1.886 -9.111) 12.772 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 11.258 8.425) 14.062 1.977 ( 0.000 11.464 15.803) 19.523 2.288 ( 0.000 -11.908 -8.544) 14.657 2.420 ( 0.000 -3.348 5.793) 6.691 2.445 ( 0.000 -5.175 5.446) 7.512 2.630 ( 0.000 -12.476 3.705) 13.015 2.860 ( 0.000 3.534 -10.175) 10.772 2.918 ( 0.000 -0.061 -14.961) 14.961 3.224 ( 0.000 0.314 9.878) 9.883 3.252 ( 0.000 -1.254 2.171) 2.507 3.567 ( 0.000 4.669 -9.299) 10.405 3.585 ( 0.000 9.512 0.576) 9.529 3.831 ( 0.000 -2.658 2.706) 3.793 3.918 ( 0.000 -2.292 1.445) 2.709 4.226 ( 0.000 4.330 9.074) 10.054 4.281 ( 0.000 6.565 -4.888) 8.185 4.412 ( 0.000 3.782 -3.565) 5.198 4.599 ( 0.000 4.864 -1.257) 5.023 4.599 ( 0.000 0.074 -7.909) 7.909 4.801 ( 0.000 -5.706 -4.690) 7.386 5.093 ( 0.000 -4.299 -11.099) 11.903 5.174 ( 0.000 -2.248 5.499) 5.941 5.258 ( 0.000 2.195 7.130) 7.460 5.374 ( 0.000 4.653 6.173) 7.731 5.837 ( 0.000 -5.908 11.455) 12.889 5.882 ( 0.000 2.188 -7.991) 8.285 6.098 ( 0.000 -1.430 10.225) 10.325 6.176 ( 0.000 -1.492 14.997) 15.071 6.387 ( 0.000 -4.480 -18.234) 18.776 6.413 ( 0.000 -1.663 5.954) 6.182 6.586 ( 0.000 -0.235 0.428) 0.488 6.604 ( 0.000 12.146 3.477) 12.634 6.828 ( 0.000 -0.487 3.736) 3.768 6.860 ( 0.000 2.688 -2.405) 3.607 7.206 ( 0.000 8.045 -2.169) 8.332 7.286 ( 0.000 12.452 -2.396) 12.681 7.470 ( 0.000 -1.534 -5.050) 5.278 7.496 ( 0.000 -1.969 1.893) 2.731 7.544 ( 0.000 -5.566 3.865) 6.777 7.773 ( 0.000 -6.804 -13.185) 14.837 7.814 ( 0.000 -2.579 -4.205) 4.933 7.853 ( 0.000 5.881 -6.877) 9.049 8.011 ( 0.000 -7.581 -1.150) 7.668 8.166 ( 0.000 -4.026 -6.740) 7.851 8.925 ( 0.000 7.091 13.609) 15.345 9.368 ( 0.000 -12.179 10.321) 15.964 9.433 ( 0.000 13.996 10.227) 17.334 9.651 ( 0.000 -1.804 1.341) 2.248 9.769 ( 0.000 4.196 18.554) 19.023 10.009 ( 0.000 -2.829 23.496) 23.665 10.058 ( 0.000 7.835 4.910) 9.246 10.884 ( 0.000 8.640 -21.399) 23.077 11.217 ( 0.000 -26.331 1.833) 26.395 11.300 ( 0.000 0.061 -19.602) 19.602 11.531 ( 0.000 -1.671 -19.279) 19.351 11.704 ( 0.000 -14.180 -11.770) 18.428 14.417 ( 0.000 6.273 7.940) 10.119 14.622 ( 0.000 -1.839 -0.258) 1.857 14.656 ( 0.000 8.974 4.416) 10.002 14.848 ( 0.000 0.219 -0.565) 0.606 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 3.869 9.740 7.331) 12.790 2.004 ( 2.734 12.078 15.187) 19.596 2.292 ( 0.834 -12.116 -9.147) 15.204 2.422 ( 0.931 -3.798 6.212) 7.340 2.516 ( 5.762 -3.121 4.811) 8.129 2.709 ( 6.128 -10.867 2.339) 12.693 2.913 ( 1.113 0.055 -8.241) 8.316 2.949 ( 6.187 -0.305 -10.518) 12.206 3.200 ( -2.868 1.538 6.140) 6.950 3.233 ( -3.326 -1.880 0.182) 3.824 3.520 ( -3.431 5.649 -6.208) 9.068 3.563 ( 0.931 4.525 -0.687) 4.671 3.828 ( 0.651 0.412 -0.159) 0.787 3.916 ( -1.863 -5.830 2.431) 6.586 4.138 ( -5.434 7.871 9.153) 13.238 4.279 ( -3.275 -0.326 -7.603) 8.285 4.312 ( -7.091 2.403 -0.421) 7.499 4.453 ( -7.711 -1.854 -3.233) 8.564 4.740 ( 0.844 1.316 -0.930) 1.819 4.790 ( 4.705 6.220 -6.498) 10.151 5.131 ( -0.294 2.077 -7.612) 7.896 5.137 ( -2.703 -6.714 1.358) 7.364 5.174 ( -6.204 7.012 2.688) 9.741 5.482 ( 9.485 -2.335 6.161) 11.548 5.630 ( -11.825 -2.292 11.338) 16.542 5.888 ( -0.866 3.757 -4.034) 5.580 6.169 ( -2.251 -0.186 5.712) 6.142 6.230 ( 0.063 -1.183 2.180) 2.481 6.282 ( -2.013 1.005 1.776) 2.867 6.404 ( 0.285 -0.257 -12.857) 12.863 6.641 ( 6.681 3.694 3.254) 8.299 6.691 ( 2.286 2.976 4.135) 5.584 6.780 ( -2.216 -4.280 -4.237) 6.418 6.897 ( 6.257 0.442 7.438) 9.730 7.214 ( 1.519 6.321 -0.136) 6.503 7.294 ( 1.150 10.963 -1.568) 11.135 7.376 ( -5.847 -2.906 2.947) 7.163 7.526 ( 1.385 -2.606 -1.870) 3.494 7.675 ( 7.811 -1.087 -1.318) 7.995 7.742 ( -1.807 0.577 -7.236) 7.481 7.829 ( 0.385 -3.220 -6.351) 7.131 7.929 ( 6.514 -1.449 -6.747) 9.490 8.070 ( 5.899 -7.491 0.322) 9.540 8.186 ( 2.052 -4.937 -3.637) 6.466 8.950 ( 2.363 7.949 12.652) 15.127 9.261 ( -6.419 11.537 10.577) 16.916 9.423 ( -1.168 -4.887 7.513) 9.038 9.669 ( -0.179 -1.530 -5.186) 5.410 9.809 ( 1.667 -0.582 14.321) 14.429 10.050 ( 4.309 -5.357 17.498) 18.800 10.206 ( 15.019 11.079 20.064) 27.402 10.658 ( -16.433 12.837 -20.463) 29.216 11.210 ( 1.612 -27.848 5.270) 28.388 11.318 ( -3.186 -13.913 -14.214) 20.144 11.688 ( 14.931 0.958 -18.660) 23.918 11.859 ( 12.247 -6.481 -15.073) 20.474 14.372 ( -4.240 6.006 6.892) 10.077 14.548 ( -7.236 -0.452 -0.523) 7.269 14.613 ( -4.205 8.878 3.019) 10.277 14.798 ( -4.726 0.370 -1.505) 4.974 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 7.744 7.455 5.645) 12.141 2.084 ( 5.244 11.358 11.859) 17.237 2.329 ( 2.845 -10.832 -8.019) 13.774 2.455 ( 2.230 -2.603 4.323) 5.517 2.620 ( 2.693 -2.230 5.607) 6.608 2.776 ( 0.681 0.517 -4.883) 4.958 2.939 ( -2.141 -1.684 3.489) 4.427 3.011 ( -0.480 -7.850 -3.253) 8.511 3.153 ( 1.450 -3.251 -3.311) 4.862 3.195 ( 1.457 -5.766 0.597) 5.977 3.464 ( -1.948 6.390 -3.078) 7.355 3.618 ( 0.841 0.950 -4.889) 5.051 3.824 ( -3.629 -7.389 0.954) 8.287 3.860 ( -0.076 3.944 -0.018) 3.944 4.088 ( -3.081 2.207 6.002) 7.099 4.142 ( -2.884 1.183 -0.902) 3.245 4.238 ( -0.597 -0.351 -6.808) 6.843 4.320 ( -5.223 -2.793 1.470) 6.102 4.719 ( -3.017 2.359 -3.698) 5.324 4.796 ( -4.099 6.156 -4.548) 8.683 4.957 ( -9.684 -0.498 -1.635) 9.834 5.096 ( -3.717 -1.341 -6.066) 7.240 5.203 ( 3.876 1.586 -0.772) 4.259 5.449 ( -5.278 8.216 3.390) 10.337 5.679 ( 4.203 4.999 4.493) 7.927 5.728 ( -9.482 2.930 -2.788) 10.308 6.083 ( -4.273 6.798 -1.570) 8.181 6.235 ( 3.660 3.603 -0.650) 5.177 6.328 ( -0.748 -7.915 0.041) 7.951 6.421 ( 3.831 4.308 -11.051) 12.465 6.636 ( 0.477 -6.322 0.682) 6.377 6.788 ( 4.974 0.069 2.034) 5.374 6.853 ( 4.547 -0.361 3.523) 5.763 7.046 ( 6.321 1.168 5.922) 8.740 7.221 ( -2.574 2.116 0.602) 3.386 7.302 ( -1.152 7.464 -0.163) 7.554 7.341 ( 3.910 2.676 3.577) 5.937 7.512 ( -1.987 -4.839 -0.201) 5.235 7.722 ( 0.174 1.531 -3.701) 4.009 7.793 ( 4.364 0.166 -1.677) 4.678 7.851 ( 1.888 -3.167 -3.315) 4.958 8.057 ( 5.661 -4.009 -3.683) 7.853 8.203 ( 5.793 -6.730 3.160) 9.425 8.241 ( 3.395 -10.252 2.329) 11.048 9.007 ( 3.247 11.759 9.429) 15.418 9.183 ( -1.087 21.934 5.461) 22.629 9.423 ( 0.985 -6.493 4.299) 7.850 9.631 ( -3.121 1.351 1.341) 3.656 9.799 ( -0.889 -5.304 -0.406) 5.393 10.161 ( -2.716 -0.666 3.194) 4.245 10.357 ( 0.719 6.506 2.351) 6.955 10.631 ( 20.909 7.449 22.840) 31.848 11.232 ( -4.850 -24.469 -9.256) 26.607 11.284 ( 6.145 -23.769 8.006) 25.822 11.971 ( 11.557 1.703 -13.323) 17.719 12.098 ( 10.176 -3.136 -12.159) 16.163 14.267 ( -5.648 5.266 3.241) 8.375 14.359 ( -10.752 2.981 -2.633) 11.464 14.498 ( -7.065 8.981 -0.677) 11.447 14.676 ( -7.340 0.334 -4.068) 8.398 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 8.807 6.838 3.687) 11.743 2.201 ( 6.222 7.037 6.668) 11.519 2.390 ( 2.362 -5.137 -5.540) 7.916 2.495 ( 1.057 -0.503 2.278) 2.561 2.584 ( -4.028 1.733 1.454) 4.620 2.759 ( -4.484 2.265 1.998) 5.406 2.904 ( 4.094 -1.609 3.216) 5.449 2.991 ( -3.972 -9.967 2.815) 11.092 3.119 ( -1.231 -9.387 0.591) 9.486 3.338 ( 8.067 -11.600 -6.290) 15.466 3.437 ( 0.048 8.614 -0.597) 8.635 3.573 ( -4.290 -1.726 -1.368) 4.823 3.717 ( -6.433 -1.708 -5.946) 8.924 3.869 ( 0.699 -4.329 0.953) 4.488 3.989 ( -2.533 1.164 0.896) 2.928 4.163 ( -6.549 -1.665 -0.725) 6.796 4.270 ( 3.027 -0.031 5.444) 6.229 4.282 ( 4.578 -0.465 -8.471) 9.640 4.656 ( -6.759 0.930 -10.893) 12.854 4.697 ( 0.198 0.461 -9.817) 9.830 4.839 ( -5.563 0.503 -4.044) 6.896 4.978 ( -2.479 -2.666 -4.974) 6.164 5.202 ( -4.777 5.448 -6.070) 9.453 5.358 ( -4.364 4.547 0.984) 6.379 5.594 ( 0.670 13.441 4.364) 14.147 5.783 ( 2.103 8.249 -0.211) 8.516 5.962 ( -5.747 7.112 -4.084) 10.014 6.200 ( -6.828 1.769 -5.153) 8.735 6.432 ( 10.255 -0.756 0.211) 10.285 6.539 ( 7.227 2.390 -4.305) 8.745 6.703 ( 4.115 -4.456 1.368) 6.218 6.872 ( 3.129 -3.190 2.066) 4.923 6.907 ( 1.778 2.411 6.928) 7.548 7.083 ( -2.863 4.716 1.766) 5.792 7.151 ( -2.912 -1.448 1.136) 3.445 7.260 ( -2.691 6.932 -1.876) 7.669 7.443 ( 4.124 4.175 2.455) 6.361 7.471 ( -1.678 -4.563 0.730) 4.916 7.748 ( 2.201 -3.832 0.295) 4.429 7.872 ( 1.180 -1.967 1.208) 2.593 7.906 ( 6.125 -2.298 0.736) 6.583 8.150 ( 3.885 -4.930 -1.325) 6.415 8.246 ( -0.194 -7.955 8.204) 11.429 8.323 ( 3.080 -13.268 2.662) 13.878 9.087 ( 4.956 17.276 4.262) 18.471 9.210 ( 3.554 20.632 1.047) 20.962 9.408 ( -3.468 5.481 1.763) 6.721 9.613 ( 2.596 -2.705 6.482) 7.488 9.748 ( -6.573 -1.495 -3.595) 7.640 9.969 ( -8.266 12.985 -9.440) 18.057 10.560 ( 12.857 -21.933 12.863) 28.492 11.058 ( 10.254 -10.429 9.942) 17.685 11.167 ( 8.525 -14.741 6.848) 18.354 11.470 ( 12.791 -14.076 12.392) 22.700 12.094 ( -0.025 1.541 -2.066) 2.577 12.207 ( -0.221 -2.790 -1.990) 3.434 14.172 ( -6.774 6.662 -7.686) 12.221 14.183 ( -2.254 4.414 -3.570) 6.108 14.347 ( -7.685 8.825 -5.576) 12.962 14.516 ( -8.591 0.432 -7.209) 11.223 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 7.190 7.735 0.676) 10.582 2.321 ( 4.164 2.018 0.999) 4.733 2.372 ( -2.228 7.216 -2.348) 7.909 2.463 ( -4.880 1.992 -0.825) 5.335 2.567 ( 3.167 -2.412 4.201) 5.787 2.659 ( -5.203 -1.011 4.713) 7.092 2.925 ( 0.887 -10.014 10.229) 14.342 2.980 ( -2.398 -10.610 8.045) 13.529 3.165 ( 9.199 -1.564 -4.258) 10.256 3.377 ( -8.697 2.967 -1.690) 9.343 3.467 ( 2.399 1.094 -5.079) 5.723 3.501 ( -0.843 -5.689 -6.886) 8.972 3.686 ( 6.214 -4.385 -3.498) 8.371 3.880 ( -9.815 -3.908 -2.552) 10.868 3.921 ( 4.881 -7.860 -0.159) 9.254 4.044 ( -6.074 -6.448 -0.779) 8.893 4.258 ( 2.739 2.020 1.792) 3.847 4.368 ( -3.764 5.493 -10.478) 12.416 4.545 ( 0.665 -1.030 -11.369) 11.435 4.640 ( -6.126 -1.917 -9.551) 11.508 4.853 ( 8.526 1.405 -6.744) 10.961 5.032 ( -5.642 4.393 -5.261) 8.877 5.109 ( 5.299 -3.326 -9.240) 11.158 5.256 ( -6.413 -1.043 -4.097) 7.680 5.652 ( 4.164 15.980 6.268) 17.663 5.748 ( -4.884 13.660 2.897) 14.794 5.943 ( 3.711 7.095 -4.050) 8.972 6.056 ( -7.019 4.171 -3.924) 9.059 6.620 ( 7.536 3.038 0.392) 8.135 6.699 ( 7.664 1.902 -2.866) 8.401 6.725 ( -0.920 2.732 1.709) 3.351 6.870 ( -5.051 -2.104 -1.971) 5.816 6.957 ( 2.055 1.965 5.575) 6.258 6.990 ( -3.077 4.523 5.142) 7.508 7.139 ( 2.147 -3.705 2.161) 4.796 7.206 ( -3.181 0.911 0.974) 3.450 7.453 ( 0.204 -0.384 0.334) 0.548 7.472 ( -0.823 4.067 1.004) 4.269 7.804 ( 3.171 -5.228 1.279) 6.247 7.859 ( -2.009 -2.818 1.114) 3.636 8.050 ( 7.223 -5.417 5.080) 10.359 8.165 ( -3.634 -8.089 4.897) 10.130 8.268 ( 3.603 -8.234 3.024) 9.483 8.333 ( -1.945 -11.218 2.409) 11.637 9.194 ( 5.514 15.793 2.948) 16.986 9.290 ( -1.636 15.550 0.577) 15.646 9.350 ( 4.509 15.250 -1.792) 16.003 9.536 ( -11.091 13.617 -7.946) 19.276 9.727 ( 6.451 -2.537 7.097) 9.920 9.852 ( -5.589 1.970 2.771) 6.541 10.794 ( 10.393 -32.041 2.479) 33.775 10.972 ( -7.669 -33.012 -3.176) 34.039 11.593 ( 22.082 2.795 18.634) 29.028 11.774 ( 16.817 -5.647 14.467) 22.891 11.957 ( -13.485 1.831 10.311) 17.074 12.078 ( -12.171 -2.992 9.256) 15.581 14.113 ( 0.875 8.912 -12.235) 15.162 14.172 ( -2.430 8.126 -11.357) 14.175 14.238 ( 0.554 3.633 -7.984) 8.789 14.348 ( -7.883 1.011 -9.316) 12.246 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.000 -12.794 1.474) 12.879 2.010 ( 0.000 12.794 1.474) 12.879 2.243 ( 0.000 -12.264 9.396) 15.450 2.243 ( 0.000 12.264 9.396) 15.450 2.441 ( 0.000 -4.745 2.603) 5.412 2.441 ( 0.000 4.745 2.603) 5.412 2.906 ( 0.000 -1.128 -14.526) 14.569 2.906 ( 0.000 1.128 -14.526) 14.569 3.225 ( 0.000 -0.658 3.652) 3.710 3.225 ( 0.000 0.658 3.652) 3.710 3.689 ( 0.000 -1.801 -2.532) 3.107 3.689 ( 0.000 1.801 -2.532) 3.107 3.833 ( 0.000 -3.010 4.539) 5.447 3.833 ( 0.000 3.010 4.539) 5.447 4.298 ( 0.000 -2.662 -5.714) 6.304 4.298 ( 0.000 2.662 -5.714) 6.304 4.544 ( 0.000 -5.289 -1.919) 5.626 4.544 ( 0.000 5.289 -1.919) 5.626 4.740 ( 0.000 -5.996 -0.760) 6.044 4.740 ( 0.000 5.996 -0.760) 6.044 4.977 ( 0.000 -0.398 1.047) 1.120 4.977 ( 0.000 0.398 1.047) 1.120 5.465 ( 0.000 -1.272 1.886) 2.275 5.465 ( 0.000 1.272 1.886) 2.275 5.796 ( 0.000 -5.315 6.286) 8.231 5.796 ( 0.000 5.315 6.286) 8.231 6.131 ( 0.000 -2.808 13.154) 13.450 6.131 ( 0.000 2.808 13.154) 13.450 6.325 ( 0.000 -0.613 -9.741) 9.761 6.325 ( 0.000 0.613 -9.741) 9.761 6.716 ( 0.000 -5.629 5.275) 7.714 6.716 ( 0.000 5.629 5.275) 7.714 6.839 ( 0.000 -4.684 -0.681) 4.733 6.839 ( 0.000 4.684 -0.681) 4.733 7.397 ( 0.000 -7.990 1.379) 8.108 7.397 ( 0.000 7.990 1.379) 8.108 7.448 ( 0.000 -0.429 -2.473) 2.510 7.448 ( 0.000 0.429 -2.473) 2.510 7.574 ( 0.000 -12.223 -9.953) 15.763 7.574 ( 0.000 12.223 -9.953) 15.763 7.820 ( 0.000 -4.020 -2.632) 4.805 7.820 ( 0.000 4.020 -2.632) 4.805 8.045 ( 0.000 -6.972 -5.291) 8.752 8.045 ( 0.000 6.972 -5.291) 8.752 9.118 ( 0.000 -10.620 11.343) 15.539 9.118 ( 0.000 10.620 11.343) 15.539 9.601 ( 0.000 -3.417 4.049) 5.299 9.601 ( 0.000 3.417 4.049) 5.299 9.880 ( 0.000 -5.922 19.502) 20.381 9.880 ( 0.000 5.922 19.502) 20.381 10.509 ( 0.000 -28.077 8.930) 29.463 10.509 ( 0.000 28.077 8.930) 29.463 11.202 ( 0.000 -9.838 -20.221) 22.487 11.202 ( 0.000 9.838 -20.221) 22.487 11.519 ( 0.000 -2.064 -18.388) 18.504 11.519 ( 0.000 2.064 -18.388) 18.504 14.545 ( 0.000 -5.147 3.910) 6.463 14.545 ( 0.000 5.147 3.910) 6.463 14.803 ( 0.000 -4.537 2.131) 5.013 14.803 ( 0.000 4.537 2.131) 5.013 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 1.459 -11.968 0.044) 12.057 2.018 ( 1.459 11.968 0.044) 12.057 2.275 ( 2.809 -11.523 9.899) 15.449 2.275 ( 2.809 11.523 9.899) 15.449 2.518 ( 6.844 -5.213 3.451) 9.269 2.518 ( 6.844 5.213 3.451) 9.269 2.929 ( 1.878 -1.092 -11.645) 11.846 2.929 ( 1.878 1.092 -11.645) 11.846 3.211 ( -2.746 -0.902 -0.278) 2.904 3.211 ( -2.746 0.902 -0.278) 2.904 3.627 ( -3.662 -2.649 -0.479) 4.545 3.627 ( -3.662 2.649 -0.479) 4.545 3.836 ( 0.189 -2.624 1.390) 2.975 3.836 ( 0.189 2.624 1.390) 2.975 4.232 ( -5.534 -2.801 -1.799) 6.458 4.232 ( -5.534 2.801 -1.799) 6.458 4.380 ( -10.116 -4.557 -0.328) 11.099 4.380 ( -10.116 4.557 -0.328) 11.099 4.847 ( 4.095 -2.704 -8.085) 9.458 4.847 ( 4.095 2.704 -8.085) 9.458 5.078 ( 5.037 -3.291 1.707) 6.254 5.078 ( 5.037 3.291 1.707) 6.254 5.343 ( -6.190 -8.380 6.681) 12.377 5.343 ( -6.190 8.380 6.681) 12.377 5.773 ( -1.413 -10.850 3.549) 11.503 5.773 ( -1.413 10.850 3.549) 11.503 6.185 ( 1.306 -2.200 7.477) 7.902 6.185 ( 1.306 2.200 7.477) 7.902 6.364 ( 4.602 -3.403 -8.201) 10.000 6.364 ( 4.602 3.403 -8.201) 10.000 6.671 ( -6.452 -4.690 -2.715) 8.426 6.671 ( -6.452 4.690 -2.715) 8.426 6.858 ( 5.377 -5.193 5.702) 9.402 6.858 ( 5.377 5.193 5.702) 9.402 7.306 ( -2.952 -2.334 0.927) 3.876 7.306 ( -2.952 2.334 0.927) 3.876 7.486 ( -0.263 -3.648 1.194) 3.847 7.486 ( -0.263 3.648 1.194) 3.847 7.691 ( 7.928 -4.109 -8.691) 12.461 7.691 ( 7.928 4.109 -8.691) 12.461 7.835 ( 1.472 -5.084 -2.363) 5.797 7.835 ( 1.472 5.084 -2.363) 5.797 8.063 ( 1.896 -5.861 -3.332) 7.003 8.063 ( 1.896 5.861 -3.332) 7.003 9.145 ( 2.979 -9.842 10.358) 14.596 9.145 ( 2.979 9.842 10.358) 14.596 9.581 ( -1.289 -7.071 1.717) 7.389 9.581 ( -1.289 7.071 1.717) 7.389 9.900 ( 0.858 -7.578 17.889) 19.447 9.900 ( 0.858 7.578 17.889) 19.447 10.588 ( 8.321 -23.416 11.660) 27.450 10.588 ( 8.321 23.416 11.660) 27.450 10.996 ( -13.592 -14.294 -16.859) 25.948 10.996 ( -13.592 14.294 -16.859) 25.948 11.749 ( 15.727 -4.090 -18.291) 24.466 11.749 ( 15.727 4.090 -18.291) 24.466 14.491 ( -5.201 -4.507 3.169) 7.576 14.491 ( -5.201 4.507 3.169) 7.576 14.758 ( -4.382 -4.329 0.931) 6.230 14.758 ( -4.382 4.329 0.931) 6.230 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 5.087 -9.731 -0.520) 10.993 2.084 ( 5.087 9.731 -0.520) 10.993 2.337 ( 3.160 -9.859 8.465) 13.373 2.337 ( 3.160 9.859 8.465) 13.373 2.657 ( 5.932 -6.751 4.147) 9.897 2.657 ( 5.932 6.751 4.147) 9.897 2.976 ( 3.196 -5.290 -9.339) 11.199 2.976 ( 3.196 5.290 -9.339) 11.199 3.080 ( -9.371 -5.251 0.976) 10.786 3.080 ( -9.371 5.251 0.976) 10.786 3.612 ( 0.692 -4.836 -3.759) 6.164 3.612 ( 0.692 4.836 -3.759) 6.164 3.813 ( -3.688 -6.497 -0.322) 7.478 3.813 ( -3.688 6.497 -0.322) 7.478 4.120 ( -2.503 -3.932 -0.583) 4.698 4.120 ( -2.503 3.932 -0.583) 4.698 4.269 ( -2.161 -2.383 3.162) 4.511 4.269 ( -2.161 2.383 3.162) 4.511 4.783 ( -8.308 -3.726 -6.739) 11.328 4.783 ( -8.308 3.726 -6.739) 11.328 5.026 ( -6.177 -4.895 -8.924) 11.906 5.026 ( -6.177 4.895 -8.924) 11.906 5.391 ( 3.487 -11.057 6.205) 13.150 5.391 ( 3.487 11.057 6.205) 13.150 5.757 ( 1.233 -4.570 2.748) 5.473 5.757 ( 1.233 4.570 2.748) 5.473 6.164 ( -2.422 -5.112 0.900) 5.728 6.164 ( -2.422 5.112 0.900) 5.728 6.442 ( 1.738 -10.562 -2.480) 10.987 6.442 ( 1.738 10.562 -2.480) 10.987 6.608 ( 3.280 -10.861 -7.333) 13.509 6.608 ( 3.280 10.861 -7.333) 13.509 6.979 ( 4.527 -6.530 6.611) 10.336 6.979 ( 4.527 6.530 6.611) 10.336 7.280 ( -0.623 -3.927 3.129) 5.060 7.280 ( -0.623 3.927 3.129) 5.060 7.476 ( -0.170 -0.971 0.145) 0.996 7.476 ( -0.170 0.971 0.145) 0.996 7.789 ( 1.798 -4.133 -3.370) 5.628 7.789 ( 1.798 4.133 -3.370) 5.628 7.885 ( 3.837 -9.008 0.146) 9.792 7.885 ( 3.837 9.008 0.146) 9.792 8.112 ( 2.496 -2.662 -0.270) 3.659 8.112 ( 2.496 2.662 -0.270) 3.659 9.236 ( 5.678 -9.778 8.117) 13.919 9.236 ( 5.678 9.778 8.117) 13.919 9.575 ( 0.977 -10.704 -2.307) 10.994 9.575 ( 0.977 10.704 -2.307) 10.994 9.893 ( -1.028 -15.927 13.562) 20.944 9.893 ( -1.028 15.927 13.562) 20.944 10.722 ( -9.883 -21.829 -11.492) 26.575 10.722 ( -9.883 21.829 -11.492) 26.575 10.862 ( 14.798 -14.791 15.891) 26.273 10.862 ( 14.798 14.791 15.891) 26.273 12.028 ( 11.061 -3.192 -12.886) 17.280 12.028 ( 11.061 3.192 -12.886) 17.280 14.359 ( -7.358 -2.651 0.280) 7.826 14.359 ( -7.358 2.651 0.280) 7.826 14.640 ( -7.189 -4.042 -2.294) 8.560 14.640 ( -7.189 4.042 -2.294) 8.560 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 6.606 -6.083 0.171) 8.982 2.205 ( 6.606 6.083 0.171) 8.982 2.401 ( 3.325 -7.483 3.794) 9.025 2.401 ( 3.325 7.483 3.794) 9.025 2.722 ( 0.182 -10.454 5.124) 11.644 2.722 ( 0.182 10.454 5.124) 11.644 2.883 ( -9.204 -7.228 4.135) 12.412 2.883 ( -9.204 7.228 4.135) 12.412 3.083 ( 7.580 -10.236 -7.379) 14.720 3.083 ( 7.580 10.236 -7.379) 14.720 3.594 ( -2.775 -2.723 -7.410) 8.368 3.594 ( -2.775 2.723 -7.410) 8.368 3.726 ( -2.984 -6.303 2.657) 7.463 3.726 ( -2.984 6.303 2.657) 7.463 4.102 ( -5.439 -5.721 -1.738) 8.083 4.102 ( -5.439 5.721 -1.738) 8.083 4.238 ( 1.632 -0.962 3.627) 4.092 4.238 ( 1.632 0.962 3.627) 4.092 4.692 ( -0.636 -1.470 -11.967) 12.073 4.692 ( -0.636 1.470 -11.967) 12.073 4.882 ( -6.023 -4.124 -9.565) 12.032 4.882 ( -6.023 4.124 -9.565) 12.032 5.339 ( -6.952 -5.293 -4.589) 9.870 5.339 ( -6.952 5.293 -4.589) 9.870 5.838 ( 5.193 -7.810 5.770) 11.012 5.838 ( 5.193 7.810 5.770) 11.012 6.100 ( -3.928 -8.846 -0.854) 9.716 6.100 ( -3.928 8.846 -0.854) 9.716 6.527 ( 7.913 -6.915 -0.434) 10.517 6.527 ( 7.913 6.915 -0.434) 10.517 6.720 ( 5.587 -8.442 -2.941) 10.542 6.720 ( 5.587 8.442 -2.941) 10.542 7.018 ( 0.166 -6.115 3.588) 7.092 7.018 ( 0.166 6.115 3.588) 7.092 7.239 ( -4.146 -6.312 3.200) 8.202 7.239 ( -4.146 6.312 3.200) 8.202 7.497 ( 2.621 -3.887 -0.243) 4.694 7.497 ( 2.621 3.887 -0.243) 4.694 7.780 ( -2.433 -7.861 0.084) 8.229 7.780 ( -2.433 7.861 0.084) 8.229 7.982 ( 5.505 -8.771 3.454) 10.916 7.982 ( 5.505 8.771 3.454) 10.916 8.146 ( 0.771 -1.134 1.484) 2.020 8.146 ( 0.771 1.134 1.484) 2.020 9.342 ( 4.805 -8.511 7.148) 12.109 9.342 ( 4.805 8.511 7.148) 12.109 9.594 ( -0.561 -8.958 -0.539) 8.992 9.594 ( -0.561 8.958 -0.539) 8.992 9.913 ( 4.565 -26.239 5.284) 27.152 9.913 ( 4.565 26.239 5.284) 27.152 10.501 ( -11.129 -24.757 -9.687) 28.820 10.501 ( -11.129 24.757 -9.687) 28.820 11.245 ( 21.475 -7.646 19.877) 30.245 11.245 ( 21.475 7.646 19.877) 30.245 12.145 ( -0.145 -2.824 -2.019) 3.475 12.145 ( -0.145 2.824 -2.019) 3.475 14.238 ( -3.860 -0.257 -5.246) 6.518 14.238 ( -3.860 0.257 -5.246) 6.518 14.485 ( -8.178 -3.746 -6.446) 11.066 14.485 ( -8.178 3.746 -6.446) 11.066 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 6.728 -1.936 -1.429) 7.145 2.338 ( 6.728 1.936 -1.429) 7.145 2.437 ( -1.501 -3.165 -2.016) 4.042 2.437 ( -1.501 3.165 -2.016) 4.042 2.689 ( -0.965 -10.108 9.428) 13.856 2.689 ( -0.965 10.108 9.428) 13.856 2.738 ( -5.072 -7.922 10.511) 14.105 2.738 ( -5.072 7.922 10.511) 14.105 3.283 ( 11.721 -9.941 -9.375) 18.003 3.283 ( 11.721 9.941 -9.375) 18.003 3.491 ( -8.023 -4.321 -8.739) 12.626 3.491 ( -8.023 4.321 -8.739) 12.626 3.736 ( 4.254 -7.606 2.060) 8.955 3.736 ( 4.254 7.606 2.060) 8.955 3.896 ( -11.308 -5.229 2.120) 12.638 3.896 ( -11.308 5.229 2.120) 12.638 4.360 ( 8.791 -5.981 -5.314) 11.886 4.360 ( 8.791 5.981 -5.314) 11.886 4.559 ( -10.692 -4.513 -10.018) 15.331 4.559 ( -10.692 4.513 -10.018) 15.331 4.959 ( 10.269 -6.838 -9.268) 15.430 4.959 ( 10.269 6.838 -9.268) 15.430 5.168 ( -9.929 -5.707 -8.953) 14.537 5.168 ( -9.929 5.707 -8.953) 14.537 5.931 ( 4.311 -7.663 3.250) 9.374 5.931 ( 4.311 7.663 3.250) 9.374 6.016 ( -4.340 -8.065 0.352) 9.165 6.016 ( -4.340 8.065 0.352) 9.165 6.708 ( 8.302 -3.794 0.670) 9.153 6.708 ( 8.302 3.794 0.670) 9.153 6.787 ( 0.470 -4.918 0.087) 4.941 6.787 ( 0.470 4.918 0.087) 4.941 7.025 ( 1.728 -4.859 3.299) 6.122 7.025 ( 1.728 4.859 3.299) 6.122 7.120 ( -6.972 -6.373 3.650) 10.127 7.120 ( -6.972 6.373 3.650) 10.127 7.583 ( 5.733 -7.835 -0.411) 9.717 7.583 ( 5.733 7.835 -0.411) 9.717 7.700 ( -5.397 -9.199 0.312) 10.670 7.700 ( -5.397 9.199 0.312) 10.670 8.082 ( 4.146 -5.079 3.818) 7.587 8.082 ( 4.146 5.079 3.818) 7.587 8.139 ( -1.564 -2.503 2.783) 4.057 8.139 ( -1.564 2.503 2.783) 4.057 9.437 ( 5.029 -7.454 6.564) 11.132 9.437 ( 5.029 7.454 6.564) 11.132 9.536 ( -4.564 -7.931 4.800) 10.333 9.536 ( -4.564 7.931 4.800) 10.333 10.070 ( 10.080 -28.616 -2.946) 30.482 10.070 ( 10.080 28.616 -2.946) 30.482 10.282 ( -10.972 -27.187 -6.652) 30.063 10.282 ( -10.972 27.187 -6.652) 30.063 11.671 ( 20.440 -4.232 17.276) 27.096 11.671 ( 20.440 4.232 17.276) 27.096 12.012 ( -12.846 -2.998 9.759) 16.408 12.012 ( -12.846 2.998 9.759) 16.408 14.227 ( 2.735 -1.788 -9.881) 10.407 14.227 ( 2.735 1.788 -9.881) 10.407 14.330 ( -7.017 -3.080 -9.816) 12.453 14.330 ( -7.017 3.080 -9.816) 12.453 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 0.000 19.607) 19.607 2.144 ( 0.000 0.000 19.777) 19.777 2.249 ( 0.000 0.000 -16.005) 16.005 2.494 ( 0.000 0.000 -13.893) 13.893 2.573 ( 0.000 0.000 4.859) 4.859 2.678 ( 0.000 0.000 -6.106) 6.106 2.997 ( 0.000 0.000 3.125) 3.125 3.032 ( 0.000 0.000 7.071) 7.071 3.180 ( 0.000 0.000 -7.348) 7.348 3.206 ( 0.000 0.000 -16.395) 16.395 3.260 ( 0.000 0.000 7.347) 7.347 3.315 ( 0.000 0.000 0.412) 0.412 4.069 ( 0.000 0.000 10.899) 10.899 4.097 ( 0.000 0.000 14.593) 14.593 4.291 ( 0.000 0.000 -1.173) 1.173 4.312 ( 0.000 0.000 -8.558) 8.558 4.381 ( 0.000 0.000 -1.581) 1.581 4.399 ( 0.000 0.000 -7.836) 7.836 4.427 ( 0.000 0.000 1.635) 1.635 4.468 ( 0.000 0.000 1.302) 1.302 5.003 ( 0.000 0.000 16.580) 16.580 5.308 ( 0.000 0.000 -8.201) 8.201 5.493 ( 0.000 0.000 3.570) 3.570 5.514 ( 0.000 0.000 1.197) 1.197 5.574 ( 0.000 0.000 -3.605) 3.605 5.748 ( 0.000 0.000 -19.550) 19.550 6.068 ( 0.000 0.000 0.747) 0.747 6.150 ( 0.000 0.000 -5.436) 5.436 6.446 ( 0.000 0.000 3.811) 3.811 6.508 ( 0.000 0.000 -1.880) 1.880 6.528 ( 0.000 0.000 13.053) 13.053 6.624 ( 0.000 0.000 7.685) 7.685 6.877 ( 0.000 0.000 7.320) 7.320 6.883 ( 0.000 0.000 -5.617) 5.617 6.903 ( 0.000 0.000 -4.280) 4.280 7.054 ( 0.000 0.000 -9.990) 9.990 7.362 ( 0.000 0.000 13.933) 13.933 7.662 ( 0.000 0.000 -12.504) 12.504 7.679 ( 0.000 0.000 10.528) 10.528 7.819 ( 0.000 0.000 -1.138) 1.138 7.849 ( 0.000 0.000 -2.687) 2.687 7.895 ( 0.000 0.000 -9.707) 9.707 7.920 ( 0.000 0.000 5.286) 5.286 8.061 ( 0.000 0.000 -7.894) 7.894 9.154 ( 0.000 0.000 17.346) 17.346 9.341 ( 0.000 0.000 24.182) 24.182 9.490 ( 0.000 0.000 -14.692) 14.692 9.879 ( 0.000 0.000 -26.536) 26.536 9.918 ( 0.000 0.000 7.029) 7.029 10.040 ( 0.000 0.000 -4.374) 4.374 10.239 ( 0.000 0.000 26.319) 26.319 10.602 ( 0.000 0.000 26.074) 26.074 10.789 ( 0.000 0.000 -25.367) 25.367 11.126 ( 0.000 0.000 -24.062) 24.062 12.075 ( 0.000 0.000 2.835) 2.835 12.134 ( 0.000 0.000 -2.922) 2.922 14.397 ( 0.000 0.000 5.160) 5.160 14.504 ( 0.000 0.000 -5.116) 5.116 14.531 ( 0.000 0.000 9.434) 9.434 14.686 ( 0.000 0.000 -5.817) 5.817 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.646 0.000 17.564) 17.576 2.157 ( 0.993 0.000 19.848) 19.873 2.222 ( -2.660 0.000 -14.949) 15.184 2.518 ( 1.508 0.000 -15.063) 15.138 2.649 ( 7.332 0.000 6.143) 9.565 2.764 ( 7.749 0.000 -5.342) 9.412 3.015 ( 1.823 0.000 3.574) 4.012 3.057 ( 2.581 0.000 5.585) 6.153 3.189 ( 1.056 0.000 -7.330) 7.405 3.206 ( 0.651 0.000 -13.016) 13.033 3.328 ( 6.625 0.000 4.485) 8.001 3.350 ( 2.735 0.000 -0.963) 2.899 3.933 ( -8.667 0.000 11.828) 14.664 4.006 ( -6.608 0.000 10.474) 12.385 4.143 ( -8.513 0.000 -8.760) 12.215 4.227 ( -7.020 0.000 -8.378) 10.930 4.414 ( -0.273 0.000 7.583) 7.588 4.511 ( 11.299 0.000 6.482) 13.026 4.535 ( 4.552 0.000 -3.784) 5.920 4.625 ( 9.468 0.000 -4.224) 10.368 5.004 ( 0.146 0.000 16.153) 16.153 5.248 ( -4.497 0.000 -4.919) 6.665 5.292 ( -17.105 0.000 1.886) 17.209 5.384 ( -9.083 0.000 3.250) 9.647 5.396 ( -16.529 0.000 -7.956) 18.345 5.684 ( -6.390 0.000 -22.447) 23.339 6.035 ( -3.798 0.000 3.285) 5.022 6.116 ( -4.001 0.000 -5.292) 6.634 6.436 ( -6.131 0.000 12.103) 13.567 6.535 ( 9.304 0.000 8.912) 12.884 6.635 ( -2.480 0.000 -2.090) 3.243 6.676 ( 10.805 0.000 -4.614) 11.749 6.847 ( -0.207 0.000 1.550) 1.563 6.906 ( 2.613 0.000 5.268) 5.880 6.950 ( 5.394 0.000 -6.074) 8.124 7.037 ( -1.481 0.000 -7.432) 7.578 7.466 ( 8.067 0.000 13.811) 15.995 7.720 ( 0.820 0.000 -2.532) 2.662 7.741 ( -4.910 0.000 -0.659) 4.954 7.771 ( 8.782 0.000 9.258) 12.760 7.771 ( -0.609 0.000 -11.138) 11.155 7.967 ( 7.037 0.000 -8.736) 11.218 8.097 ( 12.311 0.000 2.162) 12.499 8.166 ( 8.685 0.000 -4.395) 9.734 9.141 ( -1.288 0.000 17.417) 17.465 9.144 ( -15.766 0.000 23.071) 27.943 9.476 ( -1.660 0.000 -14.678) 14.771 9.661 ( -18.144 0.000 -26.896) 32.444 9.874 ( -2.713 0.000 6.148) 6.720 9.976 ( -5.086 0.000 -3.724) 6.304 10.475 ( 20.336 0.000 27.831) 34.469 10.762 ( 14.759 0.000 27.251) 30.991 11.023 ( 18.976 0.000 -24.870) 31.282 11.302 ( 15.898 0.000 -24.754) 29.420 12.077 ( 0.250 0.000 2.796) 2.807 12.137 ( 0.262 0.000 -2.956) 2.968 14.315 ( -8.095 0.000 3.524) 8.829 14.390 ( -11.106 0.000 -3.725) 11.715 14.478 ( -5.247 0.000 9.318) 10.693 14.636 ( -4.905 0.000 -6.249) 7.944 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.043 0.000 12.170) 12.170 2.144 ( -5.195 0.000 -12.109) 13.177 2.173 ( 0.635 0.000 17.581) 17.593 2.514 ( -2.368 0.000 -15.298) 15.480 2.833 ( 10.160 0.000 8.687) 13.367 2.932 ( 7.843 0.000 0.577) 7.864 3.053 ( 1.362 0.000 5.925) 6.079 3.137 ( 5.461 0.000 -0.619) 5.496 3.226 ( 2.767 0.000 -7.731) 8.211 3.262 ( 5.273 0.000 -11.540) 12.687 3.374 ( -1.039 0.000 3.945) 4.079 3.499 ( 9.221 0.000 -4.900) 10.442 3.821 ( -10.942 0.000 10.280) 15.013 3.861 ( 2.507 0.000 10.367) 10.666 4.060 ( -9.743 0.000 -11.410) 15.003 4.062 ( 0.594 0.000 -8.956) 8.976 4.421 ( 0.784 0.000 11.135) 11.162 4.621 ( 3.923 0.000 -6.248) 7.378 4.640 ( 0.972 0.000 5.873) 5.953 4.707 ( -0.773 0.000 0.682) 1.031 4.923 ( -18.926 0.000 2.830) 19.137 5.017 ( 1.018 0.000 12.358) 12.399 5.072 ( -13.572 0.000 -10.044) 16.884 5.204 ( -7.219 0.000 -0.524) 7.238 5.213 ( 0.162 0.000 2.075) 2.082 5.479 ( -13.715 0.000 -11.406) 17.838 5.937 ( -6.194 0.000 -3.112) 6.932 5.988 ( -6.745 0.000 -7.741) 10.267 6.390 ( 1.825 0.000 5.441) 5.738 6.534 ( -4.451 0.000 -6.966) 8.267 6.736 ( 9.869 0.000 9.902) 13.980 6.850 ( 6.139 0.000 -0.354) 6.149 6.903 ( 2.233 0.000 6.629) 6.995 6.954 ( 0.954 0.000 -0.566) 1.110 7.019 ( 0.986 0.000 -6.245) 6.322 7.031 ( 1.136 0.000 -5.349) 5.469 7.568 ( 0.286 0.000 6.976) 6.981 7.641 ( -4.401 0.000 -1.645) 4.698 7.732 ( 6.149 0.000 3.197) 6.930 7.869 ( 6.550 0.000 -8.257) 10.539 7.995 ( 12.763 0.000 7.347) 14.726 8.145 ( 9.623 0.000 -6.003) 11.343 8.322 ( 9.042 0.000 2.034) 9.268 8.373 ( 11.715 0.000 -2.904) 12.069 8.825 ( -14.901 0.000 19.890) 24.852 9.098 ( -3.369 0.000 16.398) 16.740 9.275 ( -19.336 0.000 -23.644) 30.543 9.402 ( -6.190 0.000 -12.511) 13.959 9.860 ( 1.093 0.000 3.485) 3.652 9.912 ( 0.497 0.000 -1.770) 1.838 10.932 ( 24.221 0.000 25.699) 35.314 11.133 ( 21.668 0.000 28.154) 35.527 11.417 ( 18.989 0.000 -20.822) 28.180 11.677 ( 20.399 0.000 -24.204) 31.653 12.086 ( 0.724 0.000 2.798) 2.891 12.149 ( 1.104 0.000 -3.282) 3.463 14.084 ( -17.021 0.000 -0.359) 17.025 14.095 ( -15.410 0.000 -1.343) 15.469 14.334 ( -8.778 0.000 8.559) 12.260 14.498 ( -8.786 0.000 -7.301) 11.424 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -1.270 0.000 5.558) 5.701 2.024 ( -6.554 0.000 -8.342) 10.608 2.190 ( 1.363 0.000 11.173) 11.256 2.434 ( -5.216 0.000 -12.364) 13.420 3.002 ( 5.809 0.000 12.251) 13.559 3.061 ( 5.622 0.000 7.568) 9.428 3.072 ( 1.035 0.000 10.717) 10.767 3.257 ( 5.772 0.000 -6.693) 8.838 3.293 ( 3.559 0.000 -9.749) 10.378 3.293 ( -4.638 0.000 3.534) 5.831 3.411 ( 7.205 0.000 -6.952) 10.012 3.629 ( -7.029 0.000 7.003) 9.922 3.643 ( 4.265 0.000 -14.467) 15.083 3.852 ( -10.608 0.000 -13.451) 17.131 4.003 ( 9.926 0.000 6.849) 12.060 4.151 ( 7.604 0.000 -6.466) 9.981 4.426 ( -0.897 0.000 9.001) 9.046 4.581 ( -11.990 0.000 -0.642) 12.007 4.612 ( -1.758 0.000 7.265) 7.475 4.700 ( 1.849 0.000 1.058) 2.130 4.707 ( 2.307 0.000 1.546) 2.777 4.882 ( -5.775 0.000 -10.514) 11.995 4.970 ( -5.254 0.000 10.320) 11.581 5.038 ( -15.873 0.000 8.748) 18.124 5.151 ( -2.195 0.000 -6.614) 6.968 5.309 ( -3.593 0.000 -11.301) 11.858 5.782 ( -5.593 0.000 2.343) 6.064 5.918 ( -2.862 0.000 -10.648) 11.026 6.481 ( 6.516 0.000 -0.601) 6.544 6.507 ( 1.997 0.000 -3.125) 3.708 6.878 ( -4.522 0.000 5.989) 7.504 6.891 ( 3.224 0.000 8.447) 9.041 6.917 ( 0.786 0.000 2.892) 2.997 6.961 ( 3.923 0.000 -0.880) 4.020 6.981 ( -5.598 0.000 -3.798) 6.765 7.090 ( 4.572 0.000 -7.207) 8.535 7.552 ( -0.875 0.000 1.232) 1.511 7.579 ( -1.911 0.000 -1.887) 2.686 7.899 ( 8.757 0.000 5.317) 10.244 7.998 ( 5.776 0.000 -3.925) 6.984 8.218 ( 7.590 0.000 3.148) 8.216 8.296 ( 4.604 0.000 -2.273) 5.135 8.478 ( 7.449 0.000 4.834) 8.880 8.591 ( 10.311 0.000 -5.804) 11.833 8.606 ( -5.572 0.000 14.489) 15.524 8.933 ( -14.281 0.000 -17.485) 22.576 8.995 ( -7.093 0.000 13.410) 15.170 9.238 ( -9.892 0.000 -9.853) 13.962 9.912 ( 4.409 0.000 5.134) 6.767 9.985 ( 4.688 0.000 -1.625) 4.962 11.391 ( 20.947 0.000 19.865) 28.869 11.591 ( 23.803 0.000 25.866) 35.152 11.721 ( 10.554 0.000 -11.705) 15.761 12.057 ( 16.506 0.000 -18.028) 24.443 12.111 ( 1.975 0.000 3.253) 3.806 12.187 ( 2.708 0.000 -3.871) 4.724 13.699 ( -19.168 0.000 0.570) 19.176 13.787 ( -16.084 0.000 -6.914) 17.507 14.157 ( -8.128 0.000 5.751) 9.957 14.303 ( -10.272 0.000 -8.040) 13.044 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.128 0.000 -0.063) 0.143 1.908 ( -4.427 0.000 -4.362) 6.215 2.237 ( 3.444 0.000 2.299) 4.141 2.325 ( -5.295 0.000 -6.289) 8.221 3.082 ( 3.113 0.000 12.250) 12.640 3.110 ( 3.071 0.000 13.489) 13.834 3.123 ( -0.121 0.000 11.031) 11.032 3.192 ( -4.959 0.000 12.165) 13.137 3.342 ( 2.642 0.000 -10.219) 10.555 3.352 ( 1.822 0.000 -10.508) 10.665 3.549 ( 6.294 0.000 -15.730) 16.942 3.571 ( 1.285 0.000 1.045) 1.656 3.649 ( -3.210 0.000 -18.700) 18.974 3.666 ( -7.608 0.000 -7.552) 10.720 4.224 ( 12.113 0.000 7.348) 14.167 4.328 ( 7.559 0.000 -1.824) 7.776 4.392 ( -1.350 0.000 4.470) 4.670 4.416 ( -4.309 0.000 3.360) 5.464 4.543 ( -5.013 0.000 8.515) 9.881 4.663 ( -12.963 0.000 -0.180) 12.964 4.764 ( 2.814 0.000 -2.441) 3.725 4.813 ( -2.292 0.000 -6.308) 6.711 4.842 ( 4.631 0.000 8.583) 9.752 4.902 ( -1.210 0.000 3.362) 3.574 5.116 ( -0.849 0.000 -8.466) 8.508 5.188 ( -7.426 0.000 -12.339) 14.401 5.764 ( 2.704 0.000 3.255) 4.231 5.843 ( -4.463 0.000 -4.354) 6.235 6.590 ( 5.805 0.000 0.496) 5.826 6.626 ( 6.171 0.000 -2.969) 6.848 6.767 ( -4.671 0.000 4.008) 6.155 6.838 ( -7.989 0.000 -2.935) 8.511 6.901 ( -0.094 0.000 2.614) 2.616 6.907 ( -0.698 0.000 1.500) 1.654 7.087 ( 5.699 0.000 2.989) 6.435 7.146 ( 0.178 0.000 -1.738) 1.747 7.543 ( 0.071 0.000 -0.413) 0.419 7.553 ( -0.891 0.000 -1.513) 1.756 8.037 ( 4.596 0.000 2.993) 5.485 8.071 ( 1.168 0.000 -0.276) 1.200 8.271 ( 0.934 0.000 -0.351) 0.998 8.316 ( -2.397 0.000 -3.276) 4.059 8.621 ( 4.795 0.000 5.597) 7.370 8.637 ( 8.748 0.000 7.225) 11.346 8.730 ( -6.658 0.000 -5.791) 8.825 8.784 ( 4.785 0.000 -3.623) 6.002 8.841 ( -3.294 0.000 6.094) 6.928 9.026 ( -11.197 0.000 -8.438) 14.021 10.007 ( 4.100 0.000 4.816) 6.325 10.044 ( 0.679 0.000 1.361) 1.521 11.717 ( 10.937 0.000 9.228) 14.310 11.821 ( -0.095 0.000 -1.360) 1.364 12.035 ( 19.224 0.000 17.942) 26.296 12.171 ( 3.881 0.000 4.008) 5.579 12.224 ( -0.256 0.000 -0.142) 0.293 12.249 ( 0.096 0.000 -0.719) 0.725 13.418 ( -6.123 0.000 -5.647) 8.329 13.495 ( -11.721 0.000 -11.174) 16.193 14.055 ( -1.174 0.000 -0.438) 1.253 14.121 ( -7.200 0.000 -6.351) 9.601 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.000 -0.644 14.427) 14.442 2.104 ( 0.000 -3.048 -1.417) 3.362 2.265 ( 0.000 1.505 6.016) 6.201 2.548 ( 0.000 2.581 -9.632) 9.972 2.582 ( 0.000 1.253 0.232) 1.274 2.659 ( 0.000 -2.513 -3.536) 4.338 2.803 ( 0.000 -8.936 4.135) 9.846 2.926 ( 0.000 -14.227 -5.487) 15.249 3.216 ( 0.000 9.014 -0.555) 9.031 3.274 ( 0.000 5.167 -4.684) 6.974 3.374 ( 0.000 3.684 0.622) 3.736 3.385 ( 0.000 5.401 1.636) 5.643 4.044 ( 0.000 -5.436 7.254) 9.065 4.064 ( 0.000 -3.552 9.792) 10.416 4.195 ( 0.000 0.719 5.143) 5.193 4.275 ( 0.000 -2.406 -6.513) 6.944 4.378 ( 0.000 4.301 -4.799) 6.444 4.390 ( 0.000 0.738 -9.236) 9.265 4.528 ( 0.000 4.418 10.843) 11.709 4.690 ( 0.000 10.416 -3.705) 11.055 5.003 ( 0.000 -1.085 7.173) 7.254 5.140 ( 0.000 -8.207 -3.521) 8.930 5.410 ( 0.000 2.167 5.676) 6.076 5.602 ( 0.000 -2.894 3.076) 4.223 5.678 ( 0.000 3.919 -2.498) 4.648 5.734 ( 0.000 0.355 -21.170) 21.173 6.169 ( 0.000 3.226 0.716) 3.305 6.231 ( 0.000 11.850 -4.649) 12.730 6.407 ( 0.000 -0.989 9.028) 9.083 6.502 ( 0.000 -3.241 10.460) 10.951 6.505 ( 0.000 1.950 1.587) 2.514 6.654 ( 0.000 -1.034 -1.548) 1.861 6.820 ( 0.000 -3.392 0.307) 3.406 6.897 ( 0.000 2.691 0.224) 2.700 6.982 ( 0.000 5.358 1.267) 5.506 7.149 ( 0.000 7.385 -11.231) 13.442 7.322 ( 0.000 -2.422 12.515) 12.747 7.621 ( 0.000 -4.562 -15.560) 16.215 7.651 ( 0.000 -2.405 7.461) 7.839 7.730 ( 0.000 -4.921 0.723) 4.974 7.800 ( 0.000 -4.091 0.067) 4.092 7.815 ( 0.000 -2.962 -2.253) 3.721 8.018 ( 0.000 2.516 -1.743) 3.060 8.072 ( 0.000 0.499 -5.874) 5.896 9.152 ( 0.000 0.544 16.188) 16.197 9.460 ( 0.000 9.173 19.937) 21.946 9.467 ( 0.000 -1.845 -14.011) 14.132 9.751 ( 0.000 -6.947 -1.383) 7.083 10.027 ( 0.000 0.096 -2.369) 2.371 10.088 ( 0.000 10.739 -9.243) 14.169 10.281 ( 0.000 3.893 19.585) 19.968 10.582 ( 0.000 -1.699 25.464) 25.520 10.813 ( 0.000 1.933 -24.153) 24.231 11.112 ( 0.000 -1.181 -24.019) 24.048 11.848 ( 0.000 -19.531 3.865) 19.910 11.931 ( 0.000 -17.220 -4.285) 17.745 14.449 ( 0.000 3.846 5.266) 6.520 14.547 ( 0.000 2.949 -4.348) 5.253 14.603 ( 0.000 6.239 7.570) 9.809 14.732 ( 0.000 3.961 -4.942) 6.333 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 2.395 0.287 13.122) 13.342 2.114 ( 0.924 -2.546 -1.727) 3.212 2.253 ( -0.993 1.891 6.402) 6.749 2.540 ( -1.018 -0.105 -13.120) 13.160 2.648 ( 6.701 -0.413 5.114) 8.440 2.714 ( 4.123 -4.752 -1.278) 6.419 2.864 ( 4.831 -3.273 1.551) 6.038 2.975 ( 4.098 -10.683 -7.336) 13.592 3.245 ( 3.472 5.083 0.109) 6.157 3.294 ( 2.788 1.900 -2.852) 4.418 3.356 ( -1.019 5.476 3.373) 6.512 3.413 ( 2.007 3.403 -2.235) 4.539 3.870 ( -8.741 -3.068 9.100) 12.986 4.046 ( -5.982 -1.836 -2.835) 6.870 4.133 ( -4.340 3.096 2.264) 5.792 4.265 ( -2.610 0.726 -3.394) 4.343 4.351 ( -1.156 -2.655 6.645) 7.249 4.468 ( 2.864 1.023 3.666) 4.763 4.568 ( 0.363 -1.591 -3.844) 4.176 4.674 ( -1.554 2.290 -6.309) 6.889 5.027 ( 2.957 2.064 8.737) 9.451 5.121 ( 0.535 -3.588 -0.123) 3.630 5.271 ( -8.668 0.250 4.917) 9.968 5.511 ( -12.024 7.320 -2.151) 14.240 5.576 ( -7.809 8.019 -4.616) 12.107 5.725 ( -5.464 4.362 -14.146) 15.780 6.075 ( -9.916 4.597 0.217) 10.932 6.100 ( -2.934 -1.079 -3.526) 4.712 6.347 ( -3.570 -4.327 8.258) 9.983 6.493 ( -0.668 -6.366 -2.588) 6.904 6.662 ( 9.446 7.561 11.083) 16.408 6.777 ( 4.785 -1.211 3.561) 6.086 6.855 ( 1.273 -3.509 -2.359) 4.416 6.890 ( 5.585 3.832 -9.966) 12.050 6.990 ( 2.675 7.250 7.178) 10.547 7.151 ( -0.959 8.762 -7.260) 11.419 7.412 ( 6.842 -3.821 9.948) 12.664 7.602 ( 1.437 -9.532 -3.585) 10.284 7.707 ( -1.900 -1.542 0.341) 2.471 7.723 ( -1.439 -1.151 -0.439) 1.895 7.806 ( 5.516 -1.355 -3.285) 6.561 7.859 ( 6.400 -6.189 -4.482) 9.968 8.152 ( 10.745 1.208 0.176) 10.814 8.183 ( 9.988 0.253 -2.717) 10.354 9.139 ( -1.497 1.180 15.442) 15.559 9.269 ( -14.270 9.041 18.065) 24.733 9.462 ( -2.118 0.021 -11.279) 11.476 9.672 ( -7.901 -1.622 -10.320) 13.098 9.935 ( -8.991 5.008 -5.899) 11.862 9.946 ( -7.355 0.808 -4.329) 8.573 10.503 ( 19.159 2.044 26.593) 32.839 10.741 ( 14.444 -1.574 26.567) 30.280 11.036 ( 17.565 0.597 -23.752) 29.547 11.276 ( 14.827 -2.202 -24.197) 28.463 11.852 ( 0.540 -19.100 3.912) 19.504 11.940 ( 1.027 -16.187 -4.668) 16.878 14.379 ( -6.947 4.631 3.854) 9.196 14.451 ( -9.513 4.296 -3.271) 10.939 14.544 ( -5.812 5.866 7.394) 11.084 14.675 ( -5.453 3.426 -5.320) 8.353 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 3.289 3.689 9.510) 10.717 2.131 ( 0.482 0.206 -3.723) 3.760 2.234 ( -0.721 3.802 7.920) 8.815 2.507 ( -2.740 -1.156 -12.753) 13.096 2.766 ( 1.739 -10.088 4.993) 11.390 2.814 ( 8.707 -3.515 4.463) 10.397 2.940 ( 1.905 -3.133 0.237) 3.674 3.071 ( 5.776 -1.965 -9.451) 11.250 3.305 ( -0.503 0.411 6.976) 7.006 3.370 ( 4.393 -4.783 1.758) 6.728 3.405 ( 6.662 4.453 -2.486) 8.390 3.454 ( 2.112 1.703 -6.504) 7.047 3.747 ( -4.011 -0.726 7.057) 8.149 3.921 ( -5.590 1.342 -6.898) 8.980 4.080 ( -0.150 3.821 3.258) 5.024 4.173 ( -4.806 5.689 -3.926) 8.419 4.279 ( -4.973 -11.886 7.318) 14.818 4.413 ( -10.525 -10.538 0.033) 14.893 4.535 ( 1.773 -2.033 -2.175) 3.465 4.672 ( 0.400 -1.291 -9.347) 9.444 5.016 ( -6.281 3.133 12.194) 14.070 5.134 ( -8.946 -3.310 -1.920) 9.730 5.201 ( 3.445 1.052 6.676) 7.586 5.282 ( -6.173 18.508 5.760) 20.343 5.406 ( -4.219 16.310 -6.951) 18.224 5.519 ( -12.356 4.119 -9.613) 16.188 5.922 ( -7.104 0.685 -1.557) 7.305 6.004 ( -6.248 2.731 -8.902) 11.213 6.347 ( 3.407 -3.560 4.381) 6.593 6.466 ( -1.267 -5.533 -5.761) 8.087 6.800 ( 5.989 1.780 7.579) 9.822 6.868 ( 4.633 -1.694 4.668) 6.792 6.909 ( 3.890 1.770 0.357) 4.289 7.019 ( 2.620 1.920 -5.925) 6.757 7.031 ( 0.815 7.428 2.910) 8.019 7.128 ( -0.856 8.767 -4.135) 9.731 7.493 ( 0.830 -6.183 5.808) 8.523 7.592 ( -2.791 -5.340 -3.355) 6.896 7.717 ( 5.650 -0.853 2.806) 6.366 7.798 ( 7.380 -3.749 -3.720) 9.075 7.931 ( 7.601 -5.108 2.712) 9.551 8.029 ( 8.801 -6.193 -5.720) 12.187 8.364 ( 10.198 0.473 3.576) 10.817 8.419 ( 11.945 -0.565 -1.582) 12.063 8.973 ( -13.612 12.905 15.726) 24.477 9.092 ( -4.796 1.913 11.256) 12.384 9.360 ( -9.010 4.593 -10.432) 14.529 9.464 ( -10.313 7.477 -17.020) 21.259 9.827 ( -0.837 -2.222 2.688) 3.587 9.876 ( 0.401 -2.919 -1.820) 3.463 10.920 ( 21.293 -2.832 24.532) 32.607 11.102 ( 20.919 -1.748 26.428) 33.750 11.379 ( 15.074 -6.320 -18.132) 24.412 11.622 ( 18.323 -4.009 -22.103) 28.989 11.875 ( 2.097 -16.898 4.281) 17.557 11.987 ( 4.338 -11.188 -6.753) 13.770 14.184 ( -13.292 7.197 -0.173) 15.117 14.192 ( -14.744 7.187 -1.022) 16.435 14.387 ( -9.495 4.824 6.923) 12.703 14.528 ( -9.144 2.580 -6.518) 11.522 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 1.686 8.853 4.769) 10.196 2.118 ( -2.222 7.175 -6.631) 10.020 2.230 ( 0.671 3.929 8.470) 9.361 2.429 ( -4.671 0.086 -9.741) 10.803 2.813 ( 3.297 -13.113 7.885) 15.653 2.953 ( 0.634 -4.282 9.252) 10.214 2.981 ( 7.255 -9.924 -3.887) 12.893 3.159 ( 1.916 -1.050 -4.042) 4.595 3.311 ( 2.287 1.755 6.355) 6.979 3.389 ( -0.620 -6.324 3.911) 7.461 3.477 ( -1.194 -2.628 -7.685) 8.210 3.540 ( 5.615 1.773 -7.306) 9.383 3.655 ( -5.902 2.106 4.407) 7.661 3.839 ( -3.974 2.151 -13.111) 13.868 4.112 ( 2.351 2.123 2.328) 3.931 4.140 ( 0.407 -9.688 4.060) 10.512 4.214 ( -0.794 -2.138 -3.809) 4.440 4.239 ( -3.029 -11.444 -0.711) 11.860 4.569 ( -0.090 -4.587 1.533) 4.837 4.653 ( -3.378 -5.753 -5.113) 8.406 4.862 ( -8.039 2.739 3.099) 9.041 4.928 ( -6.146 3.569 -3.105) 7.756 5.081 ( -7.620 6.625 10.998) 14.930 5.274 ( -4.368 5.178 -2.970) 7.397 5.338 ( -2.301 18.787 3.052) 19.172 5.453 ( 2.936 16.362 -7.289) 18.151 5.760 ( -6.522 0.339 2.633) 7.041 5.921 ( -3.379 2.390 -11.455) 12.180 6.452 ( 6.969 -1.956 -0.288) 7.244 6.480 ( 3.370 -2.101 -2.966) 4.956 6.854 ( -2.310 -1.957 5.601) 6.367 6.951 ( -0.773 -2.175 -1.712) 2.874 6.958 ( 1.856 2.659 4.127) 5.249 6.998 ( -2.152 7.078 3.232) 8.073 7.032 ( 1.975 6.891 -0.431) 7.182 7.133 ( 1.684 3.629 -4.935) 6.353 7.504 ( 0.659 -4.454 1.889) 4.883 7.544 ( -1.555 -2.947 -2.094) 3.935 7.861 ( 6.887 -2.774 3.932) 8.401 7.935 ( 5.143 -4.755 -2.980) 7.612 8.105 ( 10.000 -7.744 3.875) 13.228 8.189 ( 7.584 -6.189 -3.720) 10.472 8.539 ( 5.777 -3.771 5.840) 9.039 8.595 ( 4.341 -2.203 0.074) 4.868 8.760 ( -5.997 13.339 8.270) 16.801 8.941 ( -9.379 10.269 -3.641) 14.377 9.173 ( -7.534 11.591 -1.544) 13.910 9.292 ( -7.982 5.821 -8.747) 13.194 9.867 ( 4.377 -3.957 5.246) 7.895 9.943 ( 4.538 -3.674 -1.865) 6.129 11.300 ( 15.925 -12.647 17.252) 26.668 11.515 ( 16.154 -8.594 12.830) 22.348 11.599 ( 10.550 -11.713 1.453) 15.830 11.926 ( 9.499 -9.009 -3.691) 13.602 11.969 ( 9.194 -7.059 -3.554) 12.124 12.123 ( 8.418 -2.867 -9.218) 12.808 13.860 ( -15.698 11.744 -0.182) 19.606 13.926 ( -13.429 10.353 -5.775) 17.913 14.196 ( -8.772 3.453 4.860) 10.606 14.328 ( -10.402 2.090 -7.550) 13.022 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.911 12.420 0.361) 12.459 2.056 ( -3.062 12.180 -3.456) 13.026 2.268 ( 2.953 2.640 1.595) 4.270 2.339 ( -4.135 1.297 -5.150) 6.730 2.886 ( 3.618 -11.089 10.343) 15.590 2.941 ( -1.679 -8.221 9.785) 12.890 3.110 ( 4.624 -8.023 -1.311) 9.353 3.162 ( -1.058 -3.654 0.004) 3.804 3.370 ( 2.885 3.474 1.294) 4.697 3.412 ( 2.669 -9.764 2.714) 10.480 3.426 ( -1.719 0.297 -3.660) 4.054 3.529 ( -6.448 -4.110 2.792) 8.140 3.626 ( 3.715 1.348 -13.699) 14.257 3.725 ( -6.390 1.785 -16.162) 17.471 4.129 ( 0.062 -13.476 3.398) 13.898 4.152 ( -1.596 -12.390 0.910) 12.525 4.237 ( 8.337 -2.337 4.758) 9.880 4.353 ( 8.447 0.716 -4.371) 9.538 4.439 ( -10.540 -7.213 4.467) 13.531 4.534 ( -8.706 -3.687 -3.996) 10.265 4.808 ( 2.848 1.943 0.988) 3.586 4.880 ( -2.811 2.112 -4.065) 5.375 5.034 ( 3.838 8.401 4.539) 10.291 5.150 ( -6.295 6.926 -4.181) 10.251 5.347 ( 1.624 19.622 1.475) 19.744 5.414 ( -4.799 19.643 -5.380) 20.924 5.745 ( 3.658 0.814 2.915) 4.748 5.837 ( -4.898 1.790 -5.451) 7.544 6.589 ( 7.143 0.313 0.302) 7.157 6.617 ( 8.772 -0.240 -2.593) 9.150 6.749 ( -6.755 -0.023 3.671) 7.688 6.815 ( -8.964 -0.270 -2.702) 9.366 6.971 ( -0.151 3.883 2.012) 4.376 6.977 ( -0.706 4.315 1.296) 4.561 7.123 ( 4.465 3.411 2.230) 6.045 7.166 ( 0.313 1.800 -1.262) 2.220 7.516 ( 0.568 -2.746 0.158) 2.808 7.526 ( -0.497 -2.245 -0.883) 2.463 7.954 ( 2.714 -4.813 2.968) 6.272 7.982 ( -0.005 -5.578 0.369) 5.590 8.319 ( 10.482 -7.191 2.301) 12.918 8.352 ( 9.507 -4.397 -1.191) 10.542 8.488 ( -6.979 0.262 5.654) 8.986 8.566 ( -9.200 -7.411 -1.077) 11.863 8.764 ( 4.168 8.555 0.442) 9.527 8.829 ( -2.143 11.422 -6.482) 13.307 9.087 ( -0.564 13.636 2.051) 13.801 9.149 ( -5.934 10.346 -3.800) 12.518 9.963 ( 4.189 -3.922 4.802) 7.483 10.002 ( 0.659 -3.811 1.232) 4.059 11.523 ( 6.749 -22.543 5.825) 24.242 11.595 ( -1.021 -24.062 -1.565) 24.134 11.926 ( 14.588 -4.056 13.562) 20.327 12.076 ( 1.038 -4.963 -0.277) 5.078 12.115 ( 8.078 -2.791 8.408) 11.989 12.228 ( -0.205 -1.868 -0.571) 1.964 13.639 ( -4.698 15.493 -4.713) 16.861 13.692 ( -8.848 14.289 -8.823) 18.982 14.084 ( -1.541 2.337 -0.682) 2.881 14.145 ( -7.129 1.967 -6.213) 9.658 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 3.290 6.142) 6.968 2.046 ( 0.000 -2.127 -9.410) 9.647 2.308 ( 0.000 2.287 13.251) 13.447 2.532 ( 0.000 -6.313 3.693) 7.314 2.537 ( 0.000 -3.354 2.835) 4.392 2.574 ( 0.000 -6.600 -11.307) 13.092 2.683 ( 0.000 -3.346 -2.228) 4.019 2.711 ( 0.000 -1.396 -5.416) 5.593 3.334 ( 0.000 2.146 4.965) 5.409 3.391 ( 0.000 -0.165 5.601) 5.604 3.443 ( 0.000 8.248 -3.105) 8.813 3.536 ( 0.000 7.000 -5.355) 8.813 3.942 ( 0.000 -2.367 6.156) 6.596 3.979 ( 0.000 -3.192 2.689) 4.173 4.229 ( 0.000 0.162 -0.164) 0.231 4.251 ( 0.000 -1.029 -2.583) 2.781 4.450 ( 0.000 4.625 -4.417) 6.395 4.476 ( 0.000 3.760 -2.917) 4.758 4.619 ( 0.000 4.114 8.162) 9.140 4.727 ( 0.000 -4.482 -3.142) 5.474 4.981 ( 0.000 1.065 3.599) 3.753 5.157 ( 0.000 6.630 -6.963) 9.615 5.428 ( 0.000 -10.524 7.853) 13.131 5.492 ( 0.000 -0.843 3.742) 3.835 5.724 ( 0.000 6.773 -4.671) 8.227 5.830 ( 0.000 8.484 -12.161) 14.828 6.238 ( 0.000 -7.371 6.491) 9.822 6.259 ( 0.000 3.404 5.265) 6.270 6.393 ( 0.000 -5.084 3.211) 6.013 6.451 ( 0.000 -13.186 -3.238) 13.578 6.634 ( 0.000 14.424 2.502) 14.639 6.672 ( 0.000 10.219 3.975) 10.965 6.824 ( 0.000 2.006 2.638) 3.314 6.974 ( 0.000 1.803 3.443) 3.887 7.053 ( 0.000 2.604 -3.310) 4.211 7.279 ( 0.000 1.928 -13.078) 13.219 7.351 ( 0.000 5.875 6.817) 8.999 7.512 ( 0.000 -3.403 -7.970) 8.666 7.569 ( 0.000 -5.213 3.462) 6.258 7.618 ( 0.000 -6.440 -1.461) 6.604 7.754 ( 0.000 0.625 -1.869) 1.971 7.757 ( 0.000 -1.365 -1.529) 2.050 8.005 ( 0.000 -3.056 0.824) 3.165 8.053 ( 0.000 -2.652 -3.948) 4.756 9.196 ( 0.000 3.653 12.423) 12.949 9.412 ( 0.000 -3.670 -7.069) 7.965 9.601 ( 0.000 1.616 4.769) 5.035 9.615 ( 0.000 -4.605 1.578) 4.868 10.155 ( 0.000 13.167 8.342) 15.588 10.293 ( 0.000 5.772 23.309) 24.013 10.458 ( 0.000 14.171 -15.058) 20.678 10.546 ( 0.000 -0.696 25.081) 25.091 10.855 ( 0.000 1.385 -22.864) 22.906 11.078 ( 0.000 -2.195 -23.471) 23.574 11.330 ( 0.000 -26.160 6.517) 26.959 11.490 ( 0.000 -21.639 -9.013) 23.441 14.533 ( 0.000 3.632 3.955) 5.370 14.595 ( 0.000 1.200 -2.196) 2.503 14.750 ( 0.000 6.171 4.237) 7.486 14.819 ( 0.000 3.078 -2.398) 3.902 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 2.931 2.401 5.871) 6.988 2.066 ( 2.275 -2.661 -9.208) 9.851 2.297 ( -0.521 3.060 11.577) 11.986 2.477 ( -1.792 -3.280 -2.885) 4.722 2.612 ( 6.059 -2.917 3.107) 7.407 2.683 ( 2.950 0.806 -6.798) 7.454 2.730 ( 7.915 -8.622 0.427) 11.712 2.810 ( 7.895 -5.431 -4.905) 10.765 3.299 ( -2.872 1.731 4.884) 5.924 3.360 ( -3.400 0.827 4.952) 6.064 3.427 ( -0.837 5.461 -0.753) 5.576 3.537 ( 0.228 5.036 -4.228) 6.579 3.850 ( -4.497 0.773 3.922) 6.017 3.940 ( -5.110 -4.937 -2.316) 7.473 4.202 ( -1.158 0.330 1.118) 1.643 4.243 ( -2.235 -1.766 -0.435) 2.882 4.369 ( -8.817 3.507 4.648) 10.567 4.489 ( -3.979 -1.082 7.878) 8.891 4.561 ( -3.907 2.003 -12.310) 13.070 4.661 ( -1.546 -1.341 -7.598) 7.868 5.070 ( 6.379 2.478 3.581) 7.724 5.151 ( -2.183 3.051 -2.420) 4.464 5.314 ( -7.185 3.616 10.822) 13.483 5.533 ( 3.043 -4.048 -5.503) 7.478 5.736 ( -4.215 7.871 2.985) 9.414 5.868 ( -0.756 6.515 -3.985) 7.674 6.093 ( 0.475 0.384 -0.935) 1.117 6.191 ( -9.435 2.656 -5.456) 11.218 6.285 ( -7.338 0.197 6.428) 9.757 6.393 ( -5.049 -3.266 -1.164) 6.124 6.674 ( 1.159 -6.835 -0.177) 6.935 6.687 ( -1.246 -6.057 -2.911) 6.835 6.855 ( 7.655 8.644 10.526) 15.624 7.054 ( 6.034 5.586 -4.083) 9.181 7.135 ( 5.799 4.368 6.316) 9.622 7.350 ( 1.269 9.445 -0.350) 9.536 7.384 ( 4.894 -3.494 -6.183) 8.625 7.422 ( -3.653 -0.281 -0.054) 3.664 7.644 ( 2.572 -4.974 0.354) 5.611 7.677 ( 4.199 -3.563 -1.237) 5.644 7.760 ( 1.401 -0.554 -1.353) 2.025 7.792 ( 5.596 0.843 -5.099) 7.618 8.093 ( 7.899 -6.572 1.763) 10.426 8.133 ( 7.187 -4.910 -2.021) 8.936 9.201 ( 0.451 4.592 11.365) 12.266 9.378 ( -3.514 0.207 -3.257) 4.796 9.540 ( -4.652 3.382 4.894) 7.551 9.593 ( -1.372 -3.560 -0.802) 3.899 9.975 ( -9.911 8.509 7.021) 14.829 10.213 ( -15.279 15.808 -15.709) 27.020 10.512 ( 11.756 -2.730 23.769) 26.657 10.739 ( 16.205 3.133 23.997) 29.125 10.973 ( 5.418 -9.038 -19.149) 21.857 11.236 ( 14.727 -2.076 -20.283) 25.151 11.372 ( 5.145 -20.968 5.346) 22.242 11.570 ( 8.282 -15.166 -12.203) 21.155 14.473 ( -5.884 3.791 3.301) 7.739 14.523 ( -7.081 1.984 -1.794) 7.569 14.687 ( -6.170 6.183 3.769) 9.513 14.755 ( -6.153 3.022 -2.729) 7.378 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 6.599 2.142 5.157) 8.645 2.144 ( 5.387 -1.356 -7.963) 9.709 2.298 ( 0.581 3.428 8.976) 9.626 2.463 ( -0.029 -0.795 -4.797) 4.863 2.679 ( -2.380 0.207 -0.168) 2.395 2.717 ( 3.628 -3.287 -2.150) 5.347 2.884 ( 5.492 -3.216 2.064) 6.691 2.980 ( 8.057 -9.360 -3.493) 12.835 3.253 ( -1.466 -4.898 5.180) 7.279 3.275 ( -4.379 1.747 5.874) 7.532 3.431 ( 1.102 3.264 1.434) 3.732 3.547 ( 0.344 1.605 -4.053) 4.373 3.814 ( -0.517 2.425 -1.723) 3.020 3.839 ( -3.159 -3.929 -1.275) 5.200 4.101 ( -9.315 -2.425 1.588) 9.755 4.139 ( -8.417 -5.696 0.232) 10.166 4.251 ( -0.108 6.818 2.935) 7.424 4.354 ( -4.912 2.469 -1.845) 5.799 4.522 ( -1.949 0.096 -5.618) 5.947 4.628 ( -3.393 -3.033 -9.829) 10.831 5.010 ( -9.918 -2.572 2.363) 10.515 5.034 ( -8.951 -4.715 -0.384) 10.124 5.310 ( 1.143 7.502 11.147) 13.485 5.517 ( -10.236 0.831 -3.218) 10.762 5.656 ( 4.401 10.710 0.717) 11.602 5.732 ( -6.182 12.269 -1.850) 13.863 6.062 ( -6.391 10.615 0.799) 12.416 6.151 ( -3.121 10.577 -7.864) 13.545 6.261 ( 6.987 -3.161 1.609) 7.835 6.325 ( 2.585 -6.495 -3.249) 7.708 6.678 ( 2.918 -10.078 3.219) 10.974 6.751 ( 5.305 -10.875 -3.473) 12.589 6.985 ( 4.030 6.143 7.205) 10.290 7.127 ( 0.959 6.323 -6.096) 8.835 7.212 ( 0.909 1.704 8.256) 8.479 7.326 ( -3.481 7.347 0.439) 8.142 7.404 ( 1.952 2.396 0.863) 3.209 7.445 ( 0.809 -4.790 -5.226) 7.135 7.712 ( 4.190 -0.456 2.419) 4.859 7.764 ( 5.373 0.356 -2.042) 5.759 7.835 ( 5.902 -1.524 2.730) 6.679 7.943 ( 8.080 -1.274 -6.482) 10.437 8.263 ( 7.730 -10.546 2.694) 13.350 8.288 ( 7.001 -9.591 0.701) 11.895 9.205 ( -0.377 8.050 8.763) 11.905 9.289 ( -4.283 12.480 2.312) 13.395 9.472 ( -1.986 4.826 2.642) 5.849 9.586 ( 0.276 -0.217 -5.442) 5.453 9.818 ( -5.530 2.983 2.442) 6.741 9.936 ( -10.820 14.280 -10.295) 20.663 10.706 ( 7.297 -17.282 17.983) 25.986 11.007 ( 0.646 -22.073 -9.823) 24.169 11.143 ( 20.898 1.753 22.065) 30.441 11.484 ( 11.341 -13.662 9.108) 19.956 11.627 ( 17.867 1.157 -17.140) 24.786 11.802 ( 13.879 -6.069 -15.448) 21.635 14.314 ( -9.600 4.434 1.153) 10.638 14.328 ( -11.955 4.420 -0.701) 12.765 14.517 ( -10.558 6.068 2.566) 12.444 14.590 ( -10.067 2.515 -4.139) 11.171 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 6.649 4.140 3.898) 8.749 2.250 ( 4.274 4.105 -5.378) 8.003 2.318 ( 1.187 1.004 4.697) 4.947 2.447 ( -2.204 0.368 -6.078) 6.475 2.649 ( 1.203 0.933 5.567) 5.771 2.793 ( 5.621 -3.626 -7.752) 10.238 2.927 ( -1.040 1.257 10.063) 10.194 3.087 ( 2.647 -11.841 -1.843) 12.272 3.179 ( -4.297 -2.996 5.497) 7.594 3.257 ( 0.866 -6.748 -1.953) 7.078 3.445 ( -0.045 1.391 2.615) 2.963 3.533 ( -2.060 -5.189 -3.488) 6.583 3.722 ( -6.635 1.488 6.163) 9.177 3.853 ( 0.793 1.196 -2.864) 3.204 3.958 ( -7.503 -4.060 -3.598) 9.259 4.002 ( -2.373 -3.004 -8.332) 9.169 4.231 ( -1.222 4.787 1.956) 5.313 4.335 ( 1.573 6.255 -6.295) 9.012 4.461 ( -5.759 -5.584 1.601) 8.180 4.553 ( -2.079 -3.863 -5.753) 7.235 4.821 ( -7.391 -3.769 2.218) 8.588 4.899 ( -2.482 -5.062 -4.088) 6.964 5.187 ( -9.474 2.996 4.979) 11.114 5.316 ( -9.309 -1.306 -5.306) 10.795 5.721 ( 2.929 14.876 5.013) 15.969 5.776 ( 4.921 12.620 -0.702) 13.564 5.923 ( -6.491 11.819 2.458) 13.706 6.060 ( -4.910 7.680 -8.164) 12.237 6.428 ( 9.386 0.446 0.043) 9.397 6.456 ( 9.057 2.005 -2.925) 9.727 6.769 ( 4.061 -6.797 4.247) 8.985 6.851 ( 3.047 -7.290 -3.226) 8.535 7.029 ( 1.135 3.637 4.878) 6.189 7.115 ( -1.872 4.090 -3.018) 5.417 7.189 ( -1.670 0.900 5.087) 5.429 7.247 ( -3.422 8.425 0.115) 9.095 7.438 ( 0.918 0.585 -0.590) 1.238 7.462 ( 1.382 -2.273 -2.234) 3.474 7.790 ( 3.237 -3.766 3.070) 5.839 7.848 ( 2.529 -2.939 -2.367) 4.542 7.986 ( 8.634 -1.545 5.313) 10.255 8.090 ( 6.687 -2.483 -4.325) 8.342 8.359 ( 1.269 -11.386 2.735) 11.779 8.371 ( 1.391 -14.076 1.434) 14.217 9.186 ( -0.613 20.169 5.738) 20.979 9.251 ( 0.288 15.862 0.722) 15.881 9.431 ( -2.791 11.370 1.281) 11.778 9.533 ( -6.542 14.167 -9.263) 18.146 9.771 ( 2.160 -2.751 5.108) 6.191 9.862 ( 1.894 -0.615 -3.685) 4.188 10.801 ( 2.855 -30.093 10.055) 31.857 10.975 ( -2.886 -31.873 -7.108) 32.784 11.569 ( 20.609 2.626 20.158) 28.948 11.755 ( 15.241 -6.120 13.402) 21.198 11.942 ( 12.396 1.739 -11.324) 16.879 12.062 ( 10.846 -3.009 -11.378) 16.005 14.086 ( -11.170 7.919 -0.603) 13.706 14.121 ( -9.106 6.243 -2.973) 11.434 14.293 ( -11.065 5.086 1.092) 12.227 14.375 ( -11.034 1.687 -6.022) 12.683 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 3.961 6.589 1.565) 7.845 2.305 ( 0.231 7.149 -2.987) 7.751 2.324 ( 1.020 1.738 0.798) 2.168 2.385 ( -3.547 2.263 -4.366) 6.063 2.735 ( 6.270 -0.050 9.868) 11.691 2.852 ( -4.650 1.898 9.513) 10.758 2.960 ( 8.150 -3.360 -5.692) 10.493 3.084 ( -4.352 -4.102 -4.207) 7.312 3.152 ( 4.415 -10.428 6.056) 12.841 3.260 ( -2.708 -7.147 -5.155) 9.219 3.430 ( -0.972 -5.978 1.462) 6.231 3.458 ( -3.770 -7.171 1.356) 8.214 3.647 ( 0.933 4.816 -0.051) 4.906 3.758 ( -9.007 2.048 -9.142) 12.996 3.896 ( 1.754 -7.322 -0.463) 7.544 3.954 ( -3.367 -5.089 -5.878) 8.473 4.267 ( 3.403 3.142 1.405) 4.840 4.331 ( -2.930 -1.771 0.516) 3.462 4.384 ( 1.689 0.762 -1.030) 2.120 4.479 ( -5.916 -2.607 -6.267) 9.004 4.806 ( 5.202 -0.474 2.029) 5.603 4.908 ( -0.943 0.340 -6.895) 6.968 5.047 ( -1.486 -4.547 2.825) 5.555 5.146 ( -7.867 -4.869 -5.802) 10.921 5.762 ( 1.955 15.846 3.802) 16.413 5.817 ( -3.615 14.896 1.288) 15.382 5.872 ( 4.184 8.657 0.088) 9.615 5.962 ( -4.802 6.985 -5.124) 9.905 6.628 ( 9.746 3.770 0.496) 10.462 6.649 ( 9.964 3.738 -1.703) 10.777 6.771 ( -4.066 1.205 2.583) 4.965 6.822 ( -6.072 -0.013 -2.356) 6.513 7.038 ( 0.073 2.636 2.531) 3.655 7.060 ( -2.483 3.794 0.791) 4.603 7.196 ( 1.713 -0.836 2.472) 3.121 7.217 ( -0.404 3.566 0.235) 3.596 7.458 ( 1.357 -0.504 0.678) 1.598 7.479 ( -0.159 0.454 -0.760) 0.899 7.838 ( 1.771 -7.327 1.781) 7.746 7.864 ( -0.662 -5.903 -0.600) 5.970 8.147 ( 7.023 -5.137 4.042) 9.594 8.202 ( 3.439 -5.956 -0.890) 6.935 8.327 ( -2.435 -11.320 2.268) 11.799 8.353 ( -2.907 -11.437 -0.222) 11.803 9.208 ( 2.772 26.782 0.695) 26.934 9.261 ( -0.846 23.096 -3.093) 23.318 9.375 ( -1.507 12.973 1.659) 13.165 9.409 ( -4.389 14.387 -2.668) 15.276 9.855 ( 4.389 -4.997 4.614) 8.094 9.900 ( 0.318 -4.302 0.419) 4.334 10.848 ( 2.501 -36.096 2.807) 36.291 10.909 ( -3.473 -36.007 -3.025) 36.301 11.919 ( 13.585 1.781 12.115) 18.289 12.033 ( 9.630 -2.015 6.468) 11.774 12.075 ( 1.898 0.260 3.579) 4.059 12.176 ( -0.440 -2.826 -0.534) 2.909 13.938 ( -2.749 10.930 -3.656) 11.849 13.975 ( -5.381 10.459 -6.704) 13.539 14.134 ( -3.277 1.758 -1.503) 4.011 14.183 ( -7.288 0.966 -5.915) 9.436 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.000 -4.465 -2.146) 4.954 1.982 ( 0.000 4.465 -2.146) 4.954 2.381 ( 0.000 -5.939 3.080) 6.690 2.381 ( 0.000 5.939 3.080) 6.690 2.489 ( 0.000 -1.876 2.162) 2.863 2.489 ( 0.000 1.876 2.162) 2.863 2.686 ( 0.000 -1.045 -5.864) 5.956 2.686 ( 0.000 1.045 -5.864) 5.956 3.364 ( 0.000 -1.390 8.355) 8.470 3.364 ( 0.000 1.390 8.355) 8.470 3.588 ( 0.000 -3.032 -6.843) 7.485 3.588 ( 0.000 3.032 -6.843) 7.485 3.935 ( 0.000 -1.091 3.131) 3.316 3.935 ( 0.000 1.091 3.131) 3.316 4.227 ( 0.000 -0.607 -0.518) 0.797 4.227 ( 0.000 0.607 -0.518) 0.797 4.516 ( 0.000 -0.316 -1.699) 1.729 4.516 ( 0.000 0.316 -1.699) 1.729 4.669 ( 0.000 -0.741 -2.680) 2.780 4.669 ( 0.000 0.741 -2.680) 2.780 5.107 ( 0.000 -9.707 8.896) 13.167 5.107 ( 0.000 9.707 8.896) 13.167 5.382 ( 0.000 -5.950 -8.302) 10.214 5.382 ( 0.000 5.950 -8.302) 10.214 5.958 ( 0.000 -9.166 8.331) 12.387 5.958 ( 0.000 9.166 8.331) 12.387 6.143 ( 0.000 -11.298 -6.807) 13.190 6.143 ( 0.000 11.298 -6.807) 13.190 6.316 ( 0.000 -2.509 3.444) 4.260 6.316 ( 0.000 2.509 3.444) 4.260 6.828 ( 0.000 -2.805 -0.311) 2.822 6.828 ( 0.000 2.805 -0.311) 2.822 6.890 ( 0.000 -7.488 11.866) 14.031 6.890 ( 0.000 7.488 11.866) 14.031 7.202 ( 0.000 -7.779 -15.114) 16.999 7.202 ( 0.000 7.779 -15.114) 16.999 7.465 ( 0.000 -1.420 2.795) 3.135 7.465 ( 0.000 1.420 2.795) 3.135 7.508 ( 0.000 -3.186 -0.521) 3.228 7.508 ( 0.000 3.186 -0.521) 3.228 7.766 ( 0.000 -1.143 -2.003) 2.306 7.766 ( 0.000 1.143 -2.003) 2.306 7.978 ( 0.000 -2.563 -1.476) 2.958 7.978 ( 0.000 2.563 -1.476) 2.958 9.303 ( 0.000 -5.815 5.814) 8.224 9.303 ( 0.000 5.815 5.814) 8.224 9.583 ( 0.000 -1.082 -2.295) 2.538 9.583 ( 0.000 1.082 -2.295) 2.538 10.360 ( 0.000 -0.324 23.311) 23.314 10.360 ( 0.000 0.324 23.311) 23.314 10.711 ( 0.000 -11.481 8.010) 13.999 10.711 ( 0.000 11.481 8.010) 13.999 10.815 ( 0.000 -0.659 -15.665) 15.679 10.815 ( 0.000 0.659 -15.665) 15.679 11.132 ( 0.000 -7.477 -17.248) 18.799 11.132 ( 0.000 7.477 -17.248) 18.799 14.592 ( 0.000 -1.558 0.950) 1.824 14.592 ( 0.000 1.558 0.950) 1.824 14.837 ( 0.000 -1.636 0.906) 1.870 14.837 ( 0.000 1.636 0.906) 1.870 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 1.453 -4.166 -1.779) 4.758 1.986 ( 1.453 4.166 -1.779) 4.758 2.401 ( 1.621 -5.378 2.146) 6.012 2.401 ( 1.621 5.378 2.146) 6.013 2.588 ( 8.053 -3.162 3.555) 9.353 2.588 ( 8.053 3.162 3.555) 9.353 2.719 ( 2.859 -2.648 -6.725) 7.772 2.719 ( 2.859 2.648 -6.725) 7.772 3.338 ( -2.681 -1.934 9.145) 9.724 3.338 ( -2.681 1.934 9.145) 9.724 3.553 ( -2.687 -3.668 -6.493) 7.927 3.553 ( -2.687 3.668 -6.493) 7.927 3.875 ( -4.097 -1.477 1.555) 4.625 3.875 ( -4.097 1.477 1.555) 4.625 4.203 ( -3.025 -0.965 -0.334) 3.193 4.203 ( -3.025 0.965 -0.334) 3.193 4.441 ( -7.811 -2.627 5.835) 10.097 4.441 ( -7.811 2.627 5.835) 10.097 4.623 ( -1.556 -2.689 -11.281) 11.701 4.623 ( -1.556 2.689 -11.281) 11.701 5.146 ( -2.173 -3.337 3.192) 5.103 5.146 ( -2.173 3.337 3.192) 5.103 5.417 ( 4.591 -5.639 0.226) 7.275 5.417 ( 4.591 5.639 0.226) 7.275 5.894 ( -4.753 -5.182 7.919) 10.590 5.894 ( -4.753 5.182 7.919) 10.590 6.147 ( 1.403 -5.277 -7.911) 9.613 6.147 ( 1.403 5.277 -7.911) 9.613 6.329 ( 0.915 -2.627 1.915) 3.377 6.329 ( 0.915 2.627 1.915) 3.377 6.603 ( -12.263 -1.922 -2.285) 12.621 6.603 ( -12.263 1.922 -2.285) 12.621 7.023 ( 7.660 -5.997 8.982) 13.241 7.023 ( 7.660 5.997 8.982) 13.241 7.256 ( 1.340 -5.568 -6.715) 8.825 7.256 ( 1.340 5.568 -6.715) 8.825 7.492 ( -0.582 -2.190 0.144) 2.270 7.492 ( -0.582 2.190 0.144) 2.270 7.586 ( 9.626 -4.287 -1.294) 10.616 7.586 ( 9.626 4.287 -1.294) 10.616 7.810 ( 4.433 -3.340 -0.242) 5.555 7.810 ( 4.433 3.340 -0.242) 5.555 8.007 ( 2.897 -3.658 -1.835) 5.015 8.007 ( 2.897 3.658 -1.835) 5.015 9.317 ( 1.667 -5.359 5.645) 7.960 9.317 ( 1.667 5.359 5.645) 7.960 9.552 ( -2.580 -1.595 -2.471) 3.913 9.552 ( -2.580 1.595 -2.471) 3.913 10.269 ( -7.334 -13.687 15.333) 21.822 10.269 ( -7.334 13.687 15.333) 21.822 10.650 ( -7.607 -18.060 -12.510) 23.249 10.650 ( -7.607 18.060 -12.510) 23.249 10.917 ( 13.795 -13.959 16.252) 25.481 10.917 ( 13.795 13.959 16.252) 25.481 11.345 ( 16.601 -6.491 -20.011) 26.799 11.345 ( 16.601 6.491 -20.011) 26.799 14.530 ( -5.995 -1.316 0.821) 6.192 14.530 ( -5.995 1.316 0.821) 6.192 14.774 ( -6.157 -1.592 0.473) 6.377 14.774 ( -6.157 1.592 0.473) 6.377 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 6.611 -3.677 -0.706) 7.598 2.066 ( 6.611 3.677 -0.706) 7.598 2.419 ( -0.597 -5.330 0.371) 5.376 2.419 ( -0.597 5.330 0.371) 5.376 2.700 ( 3.027 -2.693 0.520) 4.085 2.700 ( 3.027 2.693 0.520) 4.085 2.816 ( 6.395 -2.341 -3.292) 7.564 2.816 ( 6.395 2.341 -3.292) 7.564 3.263 ( -4.638 -3.510 11.532) 12.916 3.263 ( -4.638 3.510 11.532) 12.916 3.511 ( -1.961 -4.006 -6.789) 8.123 3.511 ( -1.961 4.006 -6.789) 8.123 3.824 ( -0.886 -1.912 1.069) 2.363 3.824 ( -0.886 1.912 1.069) 2.363 4.077 ( -8.046 -0.209 -1.375) 8.166 4.077 ( -8.046 0.209 -1.375) 8.166 4.358 ( 0.162 -2.453 4.104) 4.784 4.358 ( 0.162 2.453 4.104) 4.784 4.555 ( -6.082 -3.029 -11.222) 13.119 4.555 ( -6.082 3.029 -11.222) 13.119 4.976 ( -11.496 -0.265 1.127) 11.554 4.976 ( -11.496 0.265 1.127) 11.554 5.452 ( -5.839 -5.320 0.682) 7.928 5.452 ( -5.839 5.320 0.682) 7.928 5.854 ( 3.102 -4.356 4.799) 7.185 5.854 ( 3.102 4.356 4.799) 7.185 6.157 ( -2.223 -4.060 -1.559) 4.884 6.157 ( -2.223 4.060 -1.559) 4.884 6.408 ( 6.558 -8.779 -0.617) 10.976 6.408 ( 6.558 8.779 -0.617) 10.976 6.474 ( 1.789 -10.188 -4.322) 11.210 6.474 ( 1.789 10.188 -4.322) 11.210 7.122 ( 1.181 -6.185 7.202) 9.567 7.122 ( 1.181 6.185 7.202) 9.567 7.264 ( 0.320 -6.217 -4.973) 7.967 7.264 ( 0.320 6.217 -4.973) 7.967 7.483 ( -0.000 -2.312 1.102) 2.561 7.483 ( -0.000 2.312 1.102) 2.561 7.739 ( 4.616 -3.049 -1.517) 5.737 7.739 ( 4.616 3.049 -1.517) 5.737 7.936 ( 7.372 -8.165 3.364) 11.504 7.936 ( 7.372 8.165 3.364) 11.504 8.084 ( 4.330 -5.522 -2.036) 7.307 8.084 ( 4.330 5.522 -2.036) 7.307 9.378 ( 4.373 -6.431 5.250) 9.383 9.378 ( 4.373 6.431 5.250) 9.383 9.513 ( -0.499 -5.525 -3.306) 6.458 9.513 ( -0.499 5.525 -3.306) 6.458 10.118 ( -7.092 -15.878 7.530) 18.950 10.118 ( -7.092 15.878 7.530) 18.950 10.500 ( -7.432 -17.204 -7.765) 20.286 10.500 ( -7.432 17.204 -7.765) 20.286 11.258 ( 19.318 -7.565 20.257) 28.996 11.258 ( 19.318 7.565 20.257) 28.996 11.695 ( 17.519 -4.192 -18.504) 25.825 11.695 ( 17.519 4.192 -18.504) 25.825 14.369 ( -9.693 -0.516 0.410) 9.716 14.369 ( -9.693 0.516 0.410) 9.716 14.604 ( -10.541 -1.653 -1.001) 10.716 14.604 ( -10.541 1.653 -1.001) 10.716 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 7.743 -3.619 1.429) 8.666 2.222 ( 7.743 3.619 1.429) 8.666 2.383 ( -1.744 -4.911 -3.151) 6.090 2.383 ( -1.744 4.911 -3.151) 6.090 2.780 ( 4.907 -6.459 1.368) 8.226 2.780 ( 4.907 6.459 1.368) 8.226 2.908 ( 3.221 -2.975 -1.894) 4.776 2.908 ( 3.221 2.975 -1.894) 4.776 3.166 ( -4.583 -6.270 11.791) 14.119 3.166 ( -4.583 6.270 11.791) 14.119 3.446 ( -4.820 -3.838 -7.645) 9.819 3.446 ( -4.820 3.838 -7.645) 9.819 3.802 ( -2.379 -4.250 5.162) 7.097 3.802 ( -2.379 4.250 5.162) 7.097 3.965 ( -3.778 -1.873 -8.431) 9.427 3.965 ( -3.778 1.873 -8.431) 9.427 4.339 ( -4.586 -5.339 3.330) 7.787 4.339 ( -4.586 5.339 3.330) 7.787 4.461 ( -0.519 -5.118 -8.011) 9.520 4.461 ( -0.519 5.118 -8.011) 9.520 4.796 ( -4.592 -2.512 -0.069) 5.234 4.796 ( -4.592 2.512 -0.069) 5.234 5.254 ( -11.297 -3.460 -2.800) 12.143 5.254 ( -11.297 3.460 -2.800) 12.143 5.929 ( 2.525 -2.415 2.352) 4.212 5.929 ( 2.525 2.415 2.352) 4.212 6.084 ( -4.145 -4.682 -0.494) 6.273 6.084 ( -4.145 4.682 -0.494) 6.273 6.541 ( 9.364 -7.091 1.541) 11.847 6.541 ( 9.364 7.091 1.541) 11.847 6.648 ( 9.820 -8.186 -3.225) 13.185 6.648 ( 9.820 8.186 -3.225) 13.185 7.106 ( -1.382 -3.319 4.043) 5.410 7.106 ( -1.382 3.319 4.043) 5.410 7.251 ( -2.233 -4.906 -1.814) 5.687 7.251 ( -2.233 4.906 -1.814) 5.687 7.497 ( 1.715 -2.949 0.612) 3.466 7.497 ( 1.715 2.949 0.612) 3.466 7.772 ( -1.278 -3.678 -0.557) 3.933 7.772 ( -1.278 3.678 -0.557) 3.933 8.063 ( 5.086 -6.258 3.197) 8.675 8.063 ( 5.086 6.258 3.197) 8.675 8.154 ( 2.388 -3.095 -0.516) 3.943 8.154 ( 2.388 3.095 -0.516) 3.943 9.465 ( 3.872 -7.969 4.761) 10.058 9.465 ( 3.872 7.969 4.761) 10.058 9.552 ( 3.796 -8.669 -2.989) 9.924 9.552 ( 3.796 8.669 -2.989) 9.924 10.014 ( -2.645 -15.724 3.389) 16.301 10.014 ( -2.645 15.724 3.389) 16.301 10.349 ( -7.941 -15.704 -4.448) 18.151 10.349 ( -7.941 15.704 -4.448) 18.151 11.646 ( 18.986 -4.311 17.958) 26.486 11.646 ( 18.986 4.311 17.958) 26.486 11.996 ( 11.694 -2.999 -11.665) 16.787 11.996 ( 11.694 2.999 -11.665) 16.787 14.179 ( -8.371 -0.746 -0.880) 8.450 14.179 ( -8.371 0.746 -0.880) 8.450 14.377 ( -11.807 -1.964 -3.326) 12.423 14.377 ( -11.807 1.964 -3.326) 12.423 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 3.233 -1.466 0.783) 3.635 2.326 ( 3.233 1.466 0.783) 3.635 2.371 ( -0.796 -2.274 -3.262) 4.055 2.371 ( -0.796 2.274 -3.262) 4.055 2.871 ( 4.832 -9.226 7.647) 12.920 2.871 ( 4.832 9.226 7.647) 12.920 2.955 ( -1.353 -5.267 5.619) 7.820 2.955 ( -1.353 5.267 5.619) 7.820 3.142 ( 5.130 -10.699 -1.159) 11.922 3.142 ( 5.130 10.699 -1.159) 11.922 3.312 ( -8.827 -6.951 -8.542) 14.114 3.312 ( -8.827 6.951 -8.542) 14.114 3.769 ( 0.568 -5.290 1.717) 5.590 3.769 ( 0.568 5.290 1.717) 5.590 3.849 ( -6.937 -4.811 -5.315) 9.976 3.849 ( -6.937 4.811 -5.315) 9.976 4.320 ( 3.254 -0.653 0.887) 3.435 4.320 ( 3.254 0.653 0.887) 3.435 4.412 ( -4.792 -2.708 -3.855) 6.720 4.412 ( -4.792 2.708 -3.855) 6.720 4.845 ( 8.017 -4.297 -2.209) 9.361 4.845 ( 8.017 4.297 -2.209) 9.361 5.038 ( -10.540 -3.862 -3.532) 11.768 5.038 ( -10.540 3.862 -3.532) 11.768 5.964 ( 1.686 -2.071 0.453) 2.709 5.964 ( 1.686 2.071 0.453) 2.709 6.010 ( -3.105 -3.222 -0.423) 4.494 6.010 ( -3.105 3.222 -0.423) 4.494 6.727 ( 7.312 -2.462 0.790) 7.756 6.727 ( 7.312 2.462 0.790) 7.756 6.778 ( 2.431 -3.039 -0.668) 3.948 6.778 ( 2.431 3.039 -0.668) 3.948 7.102 ( 1.683 -3.372 3.182) 4.933 7.102 ( 1.683 3.372 3.182) 4.933 7.176 ( -4.791 -4.708 1.204) 6.824 7.176 ( -4.791 4.708 1.204) 6.824 7.569 ( 5.596 -4.509 -0.486) 7.203 7.569 ( 5.596 4.509 -0.486) 7.203 7.694 ( -6.007 -4.802 -0.466) 7.705 7.694 ( -6.007 4.802 -0.466) 7.705 8.140 ( 2.817 -2.190 1.567) 3.897 8.140 ( 2.817 2.190 1.567) 3.897 8.174 ( -0.434 -0.556 0.682) 0.982 8.174 ( -0.434 0.556 0.682) 0.982 9.540 ( 3.714 -5.171 3.074) 7.070 9.540 ( 3.714 5.171 3.074) 7.070 9.592 ( -0.716 -5.319 0.801) 5.427 9.592 ( -0.716 5.319 0.801) 5.427 10.041 ( 5.305 -16.052 -0.281) 16.908 10.041 ( 5.305 16.052 -0.281) 16.908 10.186 ( -8.302 -15.434 -2.513) 17.705 10.186 ( -8.302 15.434 -2.513) 17.705 11.973 ( 12.915 -2.941 11.022) 17.231 11.973 ( 12.915 2.941 11.022) 17.231 12.115 ( -0.569 -2.647 -0.217) 2.716 12.115 ( -0.569 2.647 -0.217) 2.716 14.083 ( -0.452 -1.871 -3.582) 4.066 14.083 ( -0.452 1.871 -3.582) 4.066 14.167 ( -8.359 -2.217 -4.921) 9.950 14.167 ( -8.359 2.217 -4.921) 9.950 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 1100.543 1082.968 1360.412 0.000 0.000 0.000 3/29160 20.0 151.818 132.760 161.024 0.000 0.000 0.000 3/29160 30.0 48.028 42.721 48.974 0.000 0.000 0.000 3/29160 40.0 24.104 21.858 24.407 0.000 0.000 0.000 3/29160 50.0 15.114 13.999 15.356 0.000 0.000 0.000 3/29160 60.0 10.760 10.149 10.986 0.000 0.000 0.000 3/29160 70.0 8.303 7.943 8.512 0.000 0.000 0.000 3/29160 80.0 6.766 6.539 6.957 0.000 0.000 0.000 3/29160 90.0 5.727 5.577 5.901 0.000 0.000 0.000 3/29160 100.0 4.983 4.879 5.141 0.000 0.000 0.000 3/29160 110.0 4.425 4.349 4.570 0.000 0.000 0.000 3/29160 120.0 3.991 3.933 4.124 0.000 0.000 0.000 3/29160 130.0 3.643 3.597 3.765 0.000 0.000 0.000 3/29160 140.0 3.357 3.318 3.469 0.000 0.000 0.000 3/29160 150.0 3.116 3.083 3.220 0.000 0.000 0.000 3/29160 160.0 2.911 2.882 3.008 0.000 0.000 0.000 3/29160 170.0 2.733 2.707 2.824 0.000 0.000 0.000 3/29160 180.0 2.577 2.553 2.662 0.000 0.000 0.000 3/29160 190.0 2.440 2.417 2.519 0.000 0.000 0.000 3/29160 200.0 2.317 2.295 2.391 0.000 0.000 0.000 3/29160 210.0 2.206 2.185 2.277 0.000 0.000 0.000 3/29160 220.0 2.106 2.086 2.173 0.000 0.000 0.000 3/29160 230.0 2.015 1.995 2.078 0.000 0.000 0.000 3/29160 240.0 1.931 1.913 1.992 0.000 0.000 0.000 3/29160 250.0 1.855 1.837 1.913 0.000 0.000 0.000 3/29160 260.0 1.784 1.767 1.840 0.000 0.000 0.000 3/29160 270.0 1.719 1.702 1.772 0.000 0.000 0.000 3/29160 280.0 1.658 1.642 1.709 0.000 0.000 0.000 3/29160 290.0 1.602 1.586 1.651 0.000 0.000 0.000 3/29160 300.0 1.549 1.533 1.596 0.000 0.000 0.000 3/29160 310.0 1.500 1.484 1.545 0.000 0.000 0.000 3/29160 320.0 1.454 1.438 1.497 0.000 0.000 0.000 3/29160 330.0 1.410 1.395 1.453 0.000 0.000 0.000 3/29160 340.0 1.369 1.355 1.410 0.000 0.000 0.000 3/29160 350.0 1.331 1.316 1.370 0.000 0.000 0.000 3/29160 360.0 1.294 1.280 1.333 0.000 0.000 0.000 3/29160 370.0 1.260 1.246 1.297 0.000 0.000 0.000 3/29160 380.0 1.227 1.214 1.263 0.000 0.000 0.000 3/29160 390.0 1.196 1.183 1.231 0.000 0.000 0.000 3/29160 400.0 1.167 1.153 1.201 0.000 0.000 0.000 3/29160 410.0 1.138 1.126 1.172 0.000 0.000 0.000 3/29160 420.0 1.112 1.099 1.144 0.000 0.000 0.000 3/29160 430.0 1.086 1.074 1.118 0.000 0.000 0.000 3/29160 440.0 1.062 1.050 1.092 0.000 0.000 0.000 3/29160 450.0 1.038 1.026 1.068 0.000 0.000 0.000 3/29160 460.0 1.016 1.004 1.045 0.000 0.000 0.000 3/29160 470.0 0.995 0.983 1.023 0.000 0.000 0.000 3/29160 480.0 0.974 0.963 1.002 0.000 0.000 0.000 3/29160 490.0 0.954 0.943 0.982 0.000 0.000 0.000 3/29160 500.0 0.936 0.925 0.962 0.000 0.000 0.000 3/29160 510.0 0.917 0.907 0.944 0.000 0.000 0.000 3/29160 520.0 0.900 0.889 0.926 0.000 0.000 0.000 3/29160 530.0 0.883 0.873 0.908 0.000 0.000 0.000 3/29160 540.0 0.867 0.857 0.892 0.000 0.000 0.000 3/29160 550.0 0.851 0.841 0.875 0.000 0.000 0.000 3/29160 560.0 0.836 0.826 0.860 0.000 0.000 0.000 3/29160 570.0 0.822 0.812 0.845 0.000 0.000 0.000 3/29160 580.0 0.807 0.798 0.830 0.000 0.000 0.000 3/29160 590.0 0.794 0.784 0.816 0.000 0.000 0.000 3/29160 600.0 0.781 0.771 0.803 0.000 0.000 0.000 3/29160 610.0 0.768 0.759 0.790 0.000 0.000 0.000 3/29160 620.0 0.756 0.747 0.777 0.000 0.000 0.000 3/29160 630.0 0.744 0.735 0.765 0.000 0.000 0.000 3/29160 640.0 0.732 0.723 0.753 0.000 0.000 0.000 3/29160 650.0 0.721 0.712 0.741 0.000 0.000 0.000 3/29160 660.0 0.710 0.702 0.730 0.000 0.000 0.000 3/29160 670.0 0.700 0.691 0.719 0.000 0.000 0.000 3/29160 680.0 0.689 0.681 0.709 0.000 0.000 0.000 3/29160 690.0 0.680 0.671 0.699 0.000 0.000 0.000 3/29160 700.0 0.670 0.662 0.689 0.000 0.000 0.000 3/29160 710.0 0.661 0.652 0.679 0.000 0.000 0.000 3/29160 720.0 0.651 0.643 0.670 0.000 0.000 0.000 3/29160 730.0 0.643 0.635 0.661 0.000 0.000 0.000 3/29160 740.0 0.634 0.626 0.652 0.000 0.000 0.000 3/29160 750.0 0.625 0.618 0.643 0.000 0.000 0.000 3/29160 760.0 0.617 0.610 0.635 0.000 0.000 0.000 3/29160 770.0 0.609 0.602 0.626 0.000 0.000 0.000 3/29160 780.0 0.602 0.594 0.618 0.000 0.000 0.000 3/29160 790.0 0.594 0.587 0.611 0.000 0.000 0.000 3/29160 800.0 0.587 0.579 0.603 0.000 0.000 0.000 3/29160 810.0 0.579 0.572 0.596 0.000 0.000 0.000 3/29160 820.0 0.572 0.565 0.588 0.000 0.000 0.000 3/29160 830.0 0.565 0.558 0.581 0.000 0.000 0.000 3/29160 840.0 0.559 0.552 0.574 0.000 0.000 0.000 3/29160 850.0 0.552 0.545 0.568 0.000 0.000 0.000 3/29160 860.0 0.546 0.539 0.561 0.000 0.000 0.000 3/29160 870.0 0.540 0.533 0.555 0.000 0.000 0.000 3/29160 880.0 0.533 0.527 0.548 0.000 0.000 0.000 3/29160 890.0 0.527 0.521 0.542 0.000 0.000 0.000 3/29160 900.0 0.522 0.515 0.536 0.000 0.000 0.000 3/29160 910.0 0.516 0.509 0.530 0.000 0.000 0.000 3/29160 920.0 0.510 0.504 0.525 0.000 0.000 0.000 3/29160 930.0 0.505 0.499 0.519 0.000 0.000 0.000 3/29160 940.0 0.500 0.493 0.513 0.000 0.000 0.000 3/29160 950.0 0.494 0.488 0.508 0.000 0.000 0.000 3/29160 960.0 0.489 0.483 0.503 0.000 0.000 0.000 3/29160 970.0 0.484 0.478 0.498 0.000 0.000 0.000 3/29160 980.0 0.479 0.473 0.493 0.000 0.000 0.000 3/29160 990.0 0.474 0.468 0.488 0.000 0.000 0.000 3/29160 1000.0 0.470 0.464 0.483 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:51:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|