----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:15:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.792153731985608 0.000000000000000 0.000000000000000 b 0.000000000000000 4.741016029999999 0.000000000000000 c -5.045659068667811 0.000000000000000 10.625457989839987 Atomic positions (fractional): *1 Cu 0.31363470510536 0.63588781701342 0.25048896217247 63.546 2 Cu 0.68636529489464 0.13588781701342 0.24951103782753 63.546 3 Cu 0.68636529489464 0.36411218298658 0.74951103782753 63.546 4 Cu 0.31363470510536 0.86411218298658 0.75048896217247 63.546 *5 Se 0.79919099340384 0.02316239794448 0.65360830181409 78.960 6 Se 0.20080900659616 0.52316239794448 0.84639169818591 78.960 7 Se 0.20080900659616 0.97683760205552 0.34639169818591 78.960 8 Se 0.79919099340384 0.47683760205552 0.15360830181409 78.960 *9 Se 0.92051475572584 0.79193340029982 0.34252453115553 78.960 10 Se 0.07948524427416 0.29193340029982 0.15747546884447 78.960 11 Se 0.07948524427416 0.20806659970018 0.65747546884447 78.960 12 Se 0.92051475572584 0.70806659970018 0.84252453115553 78.960 *13 Br 0.40550670137579 0.61551544810796 0.60739155218472 79.904 14 Br 0.59449329862421 0.11551544810796 0.89260844781528 79.904 15 Br 0.59449329862421 0.38448455189204 0.39260844781528 79.904 16 Br 0.40550670137579 0.88448455189204 0.10739155218472 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.792153731985608 0.000000000000000 0.000000000000000 b 0.000000000000000 4.741016029999999 0.000000000000000 c -5.045659068667811 0.000000000000000 10.625457989839987 Atomic positions (fractional): *1 Cu 0.31363470510536 0.63588781701342 0.25048896217247 63.546 > 1 2 Cu 0.68636529489464 0.13588781701342 0.24951103782753 63.546 > 2 3 Cu 0.68636529489464 0.36411218298658 0.74951103782753 63.546 > 3 4 Cu 0.31363470510536 0.86411218298658 0.75048896217247 63.546 > 4 *5 Se 0.79919099340384 0.02316239794448 0.65360830181409 78.960 > 5 6 Se 0.20080900659616 0.52316239794448 0.84639169818591 78.960 > 6 7 Se 0.20080900659616 0.97683760205552 0.34639169818591 78.960 > 7 8 Se 0.79919099340384 0.47683760205552 0.15360830181409 78.960 > 8 *9 Se 0.92051475572584 0.79193340029982 0.34252453115553 78.960 > 9 10 Se 0.07948524427416 0.29193340029982 0.15747546884447 78.960 > 10 11 Se 0.07948524427416 0.20806659970018 0.65747546884447 78.960 > 11 12 Se 0.92051475572584 0.70806659970018 0.84252453115553 78.960 > 12 *13 Br 0.40550670137579 0.61551544810796 0.60739155218472 79.904 > 13 14 Br 0.59449329862421 0.11551544810796 0.89260844781528 79.904 > 14 15 Br 0.59449329862421 0.38448455189204 0.39260844781528 79.904 > 15 16 Br 0.40550670137579 0.88448455189204 0.10739155218472 79.904 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.584307463971216 0.000000000000000 0.000000000000000 b 0.000000000000000 14.223048089999997 0.000000000000000 c -5.045659068667811 0.000000000000000 10.625457989839987 Atomic positions (fractional): *1 Cu 0.15681735255268 0.21196260567114 0.25048896217247 63.546 > 1 2 Cu 0.65681735255268 0.21196260567114 0.25048896217247 63.546 > 1 3 Cu 0.15681735255268 0.54529593900447 0.25048896217247 63.546 > 1 4 Cu 0.65681735255268 0.54529593900447 0.25048896217247 63.546 > 1 5 Cu 0.15681735255268 0.87862927233781 0.25048896217247 63.546 > 1 6 Cu 0.65681735255268 0.87862927233781 0.25048896217247 63.546 > 1 7 Cu 0.34318264744732 0.04529593900447 0.24951103782753 63.546 > 2 8 Cu 0.84318264744732 0.04529593900447 0.24951103782753 63.546 > 2 9 Cu 0.34318264744732 0.37862927233781 0.24951103782753 63.546 > 2 10 Cu 0.84318264744732 0.37862927233781 0.24951103782753 63.546 > 2 11 Cu 0.34318264744732 0.71196260567114 0.24951103782753 63.546 > 2 12 Cu 0.84318264744732 0.71196260567114 0.24951103782753 63.546 > 2 13 Cu 0.34318264744732 0.12137072766219 0.74951103782753 63.546 > 3 14 Cu 0.84318264744732 0.12137072766219 0.74951103782753 63.546 > 3 15 Cu 0.34318264744732 0.45470406099553 0.74951103782753 63.546 > 3 16 Cu 0.84318264744732 0.45470406099553 0.74951103782753 63.546 > 3 17 Cu 0.34318264744732 0.78803739432886 0.74951103782753 63.546 > 3 18 Cu 0.84318264744732 0.78803739432886 0.74951103782753 63.546 > 3 19 Cu 0.15681735255268 0.28803739432886 0.75048896217247 63.546 > 4 20 Cu 0.65681735255268 0.28803739432886 0.75048896217247 63.546 > 4 21 Cu 0.15681735255268 0.62137072766219 0.75048896217247 63.546 > 4 22 Cu 0.65681735255268 0.62137072766219 0.75048896217247 63.546 > 4 23 Cu 0.15681735255268 0.95470406099553 0.75048896217247 63.546 > 4 24 Cu 0.65681735255268 0.95470406099553 0.75048896217247 63.546 > 4 *25 Se 0.39959549670192 0.00772079931483 0.65360830181409 78.960 > 5 26 Se 0.89959549670192 0.00772079931483 0.65360830181409 78.960 > 5 27 Se 0.39959549670192 0.34105413264816 0.65360830181409 78.960 > 5 28 Se 0.89959549670192 0.34105413264816 0.65360830181409 78.960 > 5 29 Se 0.39959549670192 0.67438746598149 0.65360830181409 78.960 > 5 30 Se 0.89959549670192 0.67438746598149 0.65360830181409 78.960 > 5 31 Se 0.10040450329808 0.17438746598149 0.84639169818591 78.960 > 6 32 Se 0.60040450329808 0.17438746598149 0.84639169818591 78.960 > 6 33 Se 0.10040450329808 0.50772079931483 0.84639169818591 78.960 > 6 34 Se 0.60040450329808 0.50772079931483 0.84639169818591 78.960 > 6 35 Se 0.10040450329808 0.84105413264816 0.84639169818591 78.960 > 6 36 Se 0.60040450329808 0.84105413264816 0.84639169818591 78.960 > 6 37 Se 0.10040450329808 0.32561253401851 0.34639169818591 78.960 > 7 38 Se 0.60040450329808 0.32561253401851 0.34639169818591 78.960 > 7 39 Se 0.10040450329808 0.65894586735184 0.34639169818591 78.960 > 7 40 Se 0.60040450329808 0.65894586735184 0.34639169818591 78.960 > 7 41 Se 0.10040450329808 0.99227920068517 0.34639169818591 78.960 > 7 42 Se 0.60040450329808 0.99227920068517 0.34639169818591 78.960 > 7 43 Se 0.39959549670192 0.15894586735184 0.15360830181409 78.960 > 8 44 Se 0.89959549670192 0.15894586735184 0.15360830181409 78.960 > 8 45 Se 0.39959549670192 0.49227920068517 0.15360830181409 78.960 > 8 46 Se 0.89959549670192 0.49227920068517 0.15360830181409 78.960 > 8 47 Se 0.39959549670192 0.82561253401851 0.15360830181409 78.960 > 8 48 Se 0.89959549670192 0.82561253401851 0.15360830181409 78.960 > 8 *49 Se 0.46025737786292 0.26397780009994 0.34252453115553 78.960 > 9 50 Se 0.96025737786292 0.26397780009994 0.34252453115553 78.960 > 9 51 Se 0.46025737786292 0.59731113343327 0.34252453115553 78.960 > 9 52 Se 0.96025737786292 0.59731113343327 0.34252453115553 78.960 > 9 53 Se 0.46025737786292 0.93064446676661 0.34252453115553 78.960 > 9 54 Se 0.96025737786292 0.93064446676661 0.34252453115553 78.960 > 9 55 Se 0.03974262213708 0.09731113343327 0.15747546884447 78.960 > 10 56 Se 0.53974262213708 0.09731113343327 0.15747546884447 78.960 > 10 57 Se 0.03974262213708 0.43064446676661 0.15747546884447 78.960 > 10 58 Se 0.53974262213708 0.43064446676661 0.15747546884447 78.960 > 10 59 Se 0.03974262213708 0.76397780009994 0.15747546884447 78.960 > 10 60 Se 0.53974262213708 0.76397780009994 0.15747546884447 78.960 > 10 61 Se 0.03974262213708 0.06935553323339 0.65747546884447 78.960 > 11 62 Se 0.53974262213708 0.06935553323339 0.65747546884447 78.960 > 11 63 Se 0.03974262213708 0.40268886656673 0.65747546884447 78.960 > 11 64 Se 0.53974262213708 0.40268886656673 0.65747546884447 78.960 > 11 65 Se 0.03974262213708 0.73602219990006 0.65747546884447 78.960 > 11 66 Se 0.53974262213708 0.73602219990006 0.65747546884447 78.960 > 11 67 Se 0.46025737786292 0.23602219990006 0.84252453115553 78.960 > 12 68 Se 0.96025737786292 0.23602219990006 0.84252453115553 78.960 > 12 69 Se 0.46025737786292 0.56935553323339 0.84252453115553 78.960 > 12 70 Se 0.96025737786292 0.56935553323339 0.84252453115553 78.960 > 12 71 Se 0.46025737786292 0.90268886656673 0.84252453115553 78.960 > 12 72 Se 0.96025737786292 0.90268886656673 0.84252453115553 78.960 > 12 *73 Br 0.20275335068789 0.20517181603599 0.60739155218472 79.904 > 13 74 Br 0.70275335068789 0.20517181603599 0.60739155218472 79.904 > 13 75 Br 0.20275335068789 0.53850514936932 0.60739155218472 79.904 > 13 76 Br 0.70275335068789 0.53850514936932 0.60739155218472 79.904 > 13 77 Br 0.20275335068789 0.87183848270265 0.60739155218472 79.904 > 13 78 Br 0.70275335068789 0.87183848270265 0.60739155218472 79.904 > 13 79 Br 0.29724664931211 0.03850514936932 0.89260844781528 79.904 > 14 80 Br 0.79724664931211 0.03850514936932 0.89260844781528 79.904 > 14 81 Br 0.29724664931211 0.37183848270265 0.89260844781528 79.904 > 14 82 Br 0.79724664931211 0.37183848270265 0.89260844781528 79.904 > 14 83 Br 0.29724664931211 0.70517181603599 0.89260844781528 79.904 > 14 84 Br 0.79724664931211 0.70517181603599 0.89260844781528 79.904 > 14 85 Br 0.29724664931211 0.12816151729735 0.39260844781528 79.904 > 15 86 Br 0.79724664931211 0.12816151729735 0.39260844781528 79.904 > 15 87 Br 0.29724664931211 0.46149485063068 0.39260844781528 79.904 > 15 88 Br 0.79724664931211 0.46149485063068 0.39260844781528 79.904 > 15 89 Br 0.29724664931211 0.79482818396401 0.39260844781528 79.904 > 15 90 Br 0.79724664931211 0.79482818396401 0.39260844781528 79.904 > 15 91 Br 0.20275335068789 0.29482818396401 0.10739155218472 79.904 > 16 92 Br 0.70275335068789 0.29482818396401 0.10739155218472 79.904 > 16 93 Br 0.20275335068789 0.62816151729735 0.10739155218472 79.904 > 16 94 Br 0.70275335068789 0.62816151729735 0.10739155218472 79.904 > 16 95 Br 0.20275335068789 0.96149485063068 0.10739155218472 79.904 > 16 96 Br 0.70275335068789 0.96149485063068 0.10739155218472 79.904 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1696194 0.0000000 0.6060266 0.0000000 9.6842585 0.0000000 0.6060246 0.0000000 8.0511951 -------------------------- Born effective charges -------------------------- 1 Cu 0.9720685 -0.0799891 0.0720680 0.0171911 0.3312037 -0.8827819 -0.0135084 -0.4703904 0.7490692 2 Cu 0.9720685 0.0799891 0.0720680 -0.0171911 0.3312037 0.8827819 -0.0135084 0.4703904 0.7490692 3 Cu 0.9720685 -0.0799891 0.0720680 0.0171911 0.3312037 -0.8827819 -0.0135084 -0.4703904 0.7490692 4 Cu 0.9720685 0.0799891 0.0720680 -0.0171911 0.3312037 0.8827819 -0.0135084 0.4703904 0.7490692 5 Se 0.4908919 -0.0697607 0.0358856 -0.0290070 0.8818476 -0.4511522 0.2729867 -0.8196234 1.0791456 6 Se 0.4908919 0.0697607 0.0358856 0.0290070 0.8818476 0.4511522 0.2729867 0.8196234 1.0791456 7 Se 0.4908919 -0.0697607 0.0358856 -0.0290070 0.8818476 -0.4511522 0.2729867 -0.8196234 1.0791456 8 Se 0.4908919 0.0697607 0.0358856 0.0290070 0.8818476 0.4511522 0.2729867 0.8196234 1.0791456 9 Se 0.3695735 0.0222686 0.2106704 0.2664414 0.2726937 -0.4284818 -0.1591306 -0.3533689 -0.2245435 10 Se 0.3695735 -0.0222686 0.2106704 -0.2664414 0.2726937 0.4284818 -0.1591306 0.3533689 -0.2245435 11 Se 0.3695735 0.0222686 0.2106704 0.2664414 0.2726937 -0.4284818 -0.1591306 -0.3533689 -0.2245435 12 Se 0.3695735 -0.0222686 0.2106704 -0.2664414 0.2726937 0.4284818 -0.1591306 0.3533689 -0.2245435 13 Br -1.8325338 -0.0964482 -0.3186241 0.2155939 -1.4857450 0.2075578 -0.1003477 0.3317271 -1.6036713 14 Br -1.8325338 0.0964482 -0.3186241 -0.2155939 -1.4857450 -0.2075578 -0.1003477 -0.3317271 -1.6036713 15 Br -1.8325338 -0.0964482 -0.3186241 0.2155939 -1.4857450 0.2075578 -0.1003477 0.3317271 -1.6036713 16 Br -1.8325338 0.0964482 -0.3186241 -0.2155939 -1.4857450 -0.2075578 -0.1003477 -0.3317271 -1.6036713 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1824 Number of blocks in projector: 1824 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1824, 1789), data: False |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True |-- (384, 376), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.429 Solver_block: 200 / 480 - Time: 2.446 Solver_block: 300 / 480 - Time: 2.441 Solver_block: 400 / 480 - Time: 2.449 Solver_block: 480 / 480 - Time: 1.988 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.798 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1824 Number of blocks in projector: 1824 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1824, 1789), data: False |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True |-- (384, 376), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:15:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:15:34]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.792153731985608 0.000000000000000 0.000000000000000 b 0.000000000000000 4.741016029999999 0.000000000000000 c -5.045659068667811 0.000000000000000 10.625457989839987 Atomic positions (fractional): 1 Cu 0.31363470510536 0.63588781701342 0.25048896217247 63.546 2 Cu 0.68636529489464 0.13588781701342 0.24951103782753 63.546 3 Cu 0.68636529489464 0.36411218298658 0.74951103782753 63.546 4 Cu 0.31363470510536 0.86411218298658 0.75048896217247 63.546 5 Se 0.79919099340384 0.02316239794448 0.65360830181409 78.960 6 Se 0.20080900659616 0.52316239794448 0.84639169818591 78.960 7 Se 0.20080900659616 0.97683760205552 0.34639169818591 78.960 8 Se 0.79919099340384 0.47683760205552 0.15360830181409 78.960 9 Se 0.92051475572584 0.79193340029982 0.34252453115553 78.960 10 Se 0.07948524427416 0.29193340029982 0.15747546884447 78.960 11 Se 0.07948524427416 0.20806659970018 0.65747546884447 78.960 12 Se 0.92051475572584 0.70806659970018 0.84252453115553 78.960 13 Br 0.40550670137579 0.61551544810796 0.60739155218472 79.904 14 Br 0.59449329862421 0.11551544810796 0.89260844781528 79.904 15 Br 0.59449329862421 0.38448455189204 0.39260844781528 79.904 16 Br 0.40550670137579 0.88448455189204 0.10739155218472 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.584307463971216 0.000000000000000 0.000000000000000 b 0.000000000000000 14.223048089999997 0.000000000000000 c -5.045659068667811 0.000000000000000 10.625457989839987 Atomic positions (fractional): 1 Cu 0.15681735255268 0.21196260567114 0.25048896217247 63.546 > 1 2 Cu 0.65681735255268 0.21196260567114 0.25048896217247 63.546 > 1 3 Cu 0.15681735255268 0.54529593900447 0.25048896217247 63.546 > 1 4 Cu 0.65681735255268 0.54529593900447 0.25048896217247 63.546 > 1 5 Cu 0.15681735255268 0.87862927233781 0.25048896217247 63.546 > 1 6 Cu 0.65681735255268 0.87862927233781 0.25048896217247 63.546 > 1 7 Cu 0.34318264744732 0.04529593900447 0.24951103782753 63.546 > 7 8 Cu 0.84318264744732 0.04529593900447 0.24951103782753 63.546 > 7 9 Cu 0.34318264744732 0.37862927233781 0.24951103782753 63.546 > 7 10 Cu 0.84318264744732 0.37862927233781 0.24951103782753 63.546 > 7 11 Cu 0.34318264744732 0.71196260567114 0.24951103782753 63.546 > 7 12 Cu 0.84318264744732 0.71196260567114 0.24951103782753 63.546 > 7 13 Cu 0.34318264744732 0.12137072766219 0.74951103782753 63.546 > 13 14 Cu 0.84318264744732 0.12137072766219 0.74951103782753 63.546 > 13 15 Cu 0.34318264744732 0.45470406099553 0.74951103782753 63.546 > 13 16 Cu 0.84318264744732 0.45470406099553 0.74951103782753 63.546 > 13 17 Cu 0.34318264744732 0.78803739432886 0.74951103782753 63.546 > 13 18 Cu 0.84318264744732 0.78803739432886 0.74951103782753 63.546 > 13 19 Cu 0.15681735255268 0.28803739432886 0.75048896217247 63.546 > 19 20 Cu 0.65681735255268 0.28803739432886 0.75048896217247 63.546 > 19 21 Cu 0.15681735255268 0.62137072766219 0.75048896217247 63.546 > 19 22 Cu 0.65681735255268 0.62137072766219 0.75048896217247 63.546 > 19 23 Cu 0.15681735255268 0.95470406099553 0.75048896217247 63.546 > 19 24 Cu 0.65681735255268 0.95470406099553 0.75048896217247 63.546 > 19 25 Se 0.39959549670192 0.00772079931483 0.65360830181409 78.960 > 25 26 Se 0.89959549670192 0.00772079931483 0.65360830181409 78.960 > 25 27 Se 0.39959549670192 0.34105413264816 0.65360830181409 78.960 > 25 28 Se 0.89959549670192 0.34105413264816 0.65360830181409 78.960 > 25 29 Se 0.39959549670192 0.67438746598149 0.65360830181409 78.960 > 25 30 Se 0.89959549670192 0.67438746598149 0.65360830181409 78.960 > 25 31 Se 0.10040450329808 0.17438746598149 0.84639169818591 78.960 > 31 32 Se 0.60040450329808 0.17438746598149 0.84639169818591 78.960 > 31 33 Se 0.10040450329808 0.50772079931483 0.84639169818591 78.960 > 31 34 Se 0.60040450329808 0.50772079931483 0.84639169818591 78.960 > 31 35 Se 0.10040450329808 0.84105413264816 0.84639169818591 78.960 > 31 36 Se 0.60040450329808 0.84105413264816 0.84639169818591 78.960 > 31 37 Se 0.10040450329808 0.32561253401851 0.34639169818591 78.960 > 37 38 Se 0.60040450329808 0.32561253401851 0.34639169818591 78.960 > 37 39 Se 0.10040450329808 0.65894586735184 0.34639169818591 78.960 > 37 40 Se 0.60040450329808 0.65894586735184 0.34639169818591 78.960 > 37 41 Se 0.10040450329808 0.99227920068517 0.34639169818591 78.960 > 37 42 Se 0.60040450329808 0.99227920068517 0.34639169818591 78.960 > 37 43 Se 0.39959549670192 0.15894586735184 0.15360830181409 78.960 > 43 44 Se 0.89959549670192 0.15894586735184 0.15360830181409 78.960 > 43 45 Se 0.39959549670192 0.49227920068517 0.15360830181409 78.960 > 43 46 Se 0.89959549670192 0.49227920068517 0.15360830181409 78.960 > 43 47 Se 0.39959549670192 0.82561253401851 0.15360830181409 78.960 > 43 48 Se 0.89959549670192 0.82561253401851 0.15360830181409 78.960 > 43 49 Se 0.46025737786292 0.26397780009994 0.34252453115553 78.960 > 49 50 Se 0.96025737786292 0.26397780009994 0.34252453115553 78.960 > 49 51 Se 0.46025737786292 0.59731113343327 0.34252453115553 78.960 > 49 52 Se 0.96025737786292 0.59731113343327 0.34252453115553 78.960 > 49 53 Se 0.46025737786292 0.93064446676661 0.34252453115553 78.960 > 49 54 Se 0.96025737786292 0.93064446676661 0.34252453115553 78.960 > 49 55 Se 0.03974262213708 0.09731113343327 0.15747546884447 78.960 > 55 56 Se 0.53974262213708 0.09731113343327 0.15747546884447 78.960 > 55 57 Se 0.03974262213708 0.43064446676661 0.15747546884447 78.960 > 55 58 Se 0.53974262213708 0.43064446676661 0.15747546884447 78.960 > 55 59 Se 0.03974262213708 0.76397780009994 0.15747546884447 78.960 > 55 60 Se 0.53974262213708 0.76397780009994 0.15747546884447 78.960 > 55 61 Se 0.03974262213708 0.06935553323339 0.65747546884447 78.960 > 61 62 Se 0.53974262213708 0.06935553323339 0.65747546884447 78.960 > 61 63 Se 0.03974262213708 0.40268886656673 0.65747546884447 78.960 > 61 64 Se 0.53974262213708 0.40268886656673 0.65747546884447 78.960 > 61 65 Se 0.03974262213708 0.73602219990006 0.65747546884447 78.960 > 61 66 Se 0.53974262213708 0.73602219990006 0.65747546884447 78.960 > 61 67 Se 0.46025737786292 0.23602219990006 0.84252453115553 78.960 > 67 68 Se 0.96025737786292 0.23602219990006 0.84252453115553 78.960 > 67 69 Se 0.46025737786292 0.56935553323339 0.84252453115553 78.960 > 67 70 Se 0.96025737786292 0.56935553323339 0.84252453115553 78.960 > 67 71 Se 0.46025737786292 0.90268886656673 0.84252453115553 78.960 > 67 72 Se 0.96025737786292 0.90268886656673 0.84252453115553 78.960 > 67 73 Br 0.20275335068789 0.20517181603599 0.60739155218472 79.904 > 73 74 Br 0.70275335068789 0.20517181603599 0.60739155218472 79.904 > 73 75 Br 0.20275335068789 0.53850514936932 0.60739155218472 79.904 > 73 76 Br 0.70275335068789 0.53850514936932 0.60739155218472 79.904 > 73 77 Br 0.20275335068789 0.87183848270265 0.60739155218472 79.904 > 73 78 Br 0.70275335068789 0.87183848270265 0.60739155218472 79.904 > 73 79 Br 0.29724664931211 0.03850514936932 0.89260844781528 79.904 > 79 80 Br 0.79724664931211 0.03850514936932 0.89260844781528 79.904 > 79 81 Br 0.29724664931211 0.37183848270265 0.89260844781528 79.904 > 79 82 Br 0.79724664931211 0.37183848270265 0.89260844781528 79.904 > 79 83 Br 0.29724664931211 0.70517181603599 0.89260844781528 79.904 > 79 84 Br 0.79724664931211 0.70517181603599 0.89260844781528 79.904 > 79 85 Br 0.29724664931211 0.12816151729735 0.39260844781528 79.904 > 85 86 Br 0.79724664931211 0.12816151729735 0.39260844781528 79.904 > 85 87 Br 0.29724664931211 0.46149485063068 0.39260844781528 79.904 > 85 88 Br 0.79724664931211 0.46149485063068 0.39260844781528 79.904 > 85 89 Br 0.29724664931211 0.79482818396401 0.39260844781528 79.904 > 85 90 Br 0.79724664931211 0.79482818396401 0.39260844781528 79.904 > 85 91 Br 0.20275335068789 0.29482818396401 0.10739155218472 79.904 > 91 92 Br 0.70275335068789 0.29482818396401 0.10739155218472 79.904 > 91 93 Br 0.20275335068789 0.62816151729735 0.10739155218472 79.904 > 91 94 Br 0.70275335068789 0.62816151729735 0.10739155218472 79.904 > 91 95 Br 0.20275335068789 0.96149485063068 0.10739155218472 79.904 > 91 96 Br 0.70275335068789 0.96149485063068 0.10739155218472 79.904 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1696194 0.0000000 0.6060266 0.0000000 9.6842585 0.0000000 0.6060246 0.0000000 8.0511951 -------------------------- Born effective charges -------------------------- 1 Cu 0.9720685 -0.0799891 0.0720680 0.0171911 0.3312037 -0.8827819 -0.0135084 -0.4703904 0.7490692 2 Cu 0.9720685 0.0799891 0.0720680 -0.0171911 0.3312037 0.8827819 -0.0135084 0.4703904 0.7490692 3 Cu 0.9720685 -0.0799891 0.0720680 0.0171911 0.3312037 -0.8827819 -0.0135084 -0.4703904 0.7490692 4 Cu 0.9720685 0.0799891 0.0720680 -0.0171911 0.3312037 0.8827819 -0.0135084 0.4703904 0.7490692 5 Se 0.4908919 -0.0697607 0.0358856 -0.0290070 0.8818476 -0.4511522 0.2729867 -0.8196234 1.0791456 6 Se 0.4908919 0.0697607 0.0358856 0.0290070 0.8818476 0.4511522 0.2729867 0.8196234 1.0791456 7 Se 0.4908919 -0.0697607 0.0358856 -0.0290070 0.8818476 -0.4511522 0.2729867 -0.8196234 1.0791456 8 Se 0.4908919 0.0697607 0.0358856 0.0290070 0.8818476 0.4511522 0.2729867 0.8196234 1.0791456 9 Se 0.3695735 0.0222686 0.2106704 0.2664414 0.2726937 -0.4284818 -0.1591306 -0.3533689 -0.2245435 10 Se 0.3695735 -0.0222686 0.2106704 -0.2664414 0.2726937 0.4284818 -0.1591306 0.3533689 -0.2245435 11 Se 0.3695735 0.0222686 0.2106704 0.2664414 0.2726937 -0.4284818 -0.1591306 -0.3533689 -0.2245435 12 Se 0.3695735 -0.0222686 0.2106704 -0.2664414 0.2726937 0.4284818 -0.1591306 0.3533689 -0.2245435 13 Br -1.8325338 -0.0964482 -0.3186241 0.2155939 -1.4857450 0.2075578 -0.1003477 0.3317271 -1.6036713 14 Br -1.8325338 0.0964482 -0.3186241 -0.2155939 -1.4857450 -0.2075578 -0.1003477 -0.3317271 -1.6036713 15 Br -1.8325338 -0.0964482 -0.3186241 0.2155939 -1.4857450 0.2075578 -0.1003477 0.3317271 -1.6036713 16 Br -1.8325338 0.0964482 -0.3186241 -0.2155939 -1.4857450 -0.2075578 -0.1003477 -0.3317271 -1.6036713 ---------------------------------------------------------------------------- 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] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] 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] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:15:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:15:48]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.792153731985608 0.000000000000000 0.000000000000000 b 0.000000000000000 4.741016029999999 0.000000000000000 c -5.045659068667811 0.000000000000000 10.625457989839987 Atomic positions (fractional): 1 Cu 0.31363470510536 0.63588781701342 0.25048896217247 63.546 2 Cu 0.68636529489464 0.13588781701342 0.24951103782753 63.546 3 Cu 0.68636529489464 0.36411218298658 0.74951103782753 63.546 4 Cu 0.31363470510536 0.86411218298658 0.75048896217247 63.546 5 Se 0.79919099340384 0.02316239794448 0.65360830181409 78.960 6 Se 0.20080900659616 0.52316239794448 0.84639169818591 78.960 7 Se 0.20080900659616 0.97683760205552 0.34639169818591 78.960 8 Se 0.79919099340384 0.47683760205552 0.15360830181409 78.960 9 Se 0.92051475572584 0.79193340029982 0.34252453115553 78.960 10 Se 0.07948524427416 0.29193340029982 0.15747546884447 78.960 11 Se 0.07948524427416 0.20806659970018 0.65747546884447 78.960 12 Se 0.92051475572584 0.70806659970018 0.84252453115553 78.960 13 Br 0.40550670137579 0.61551544810796 0.60739155218472 79.904 14 Br 0.59449329862421 0.11551544810796 0.89260844781528 79.904 15 Br 0.59449329862421 0.38448455189204 0.39260844781528 79.904 16 Br 0.40550670137579 0.88448455189204 0.10739155218472 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.584307463971216 0.000000000000000 0.000000000000000 b 0.000000000000000 14.223048089999997 0.000000000000000 c -5.045659068667811 0.000000000000000 10.625457989839987 Atomic positions (fractional): 1 Cu 0.15681735255268 0.21196260567114 0.25048896217247 63.546 > 1 2 Cu 0.65681735255268 0.21196260567114 0.25048896217247 63.546 > 1 3 Cu 0.15681735255268 0.54529593900447 0.25048896217247 63.546 > 1 4 Cu 0.65681735255268 0.54529593900447 0.25048896217247 63.546 > 1 5 Cu 0.15681735255268 0.87862927233781 0.25048896217247 63.546 > 1 6 Cu 0.65681735255268 0.87862927233781 0.25048896217247 63.546 > 1 7 Cu 0.34318264744732 0.04529593900447 0.24951103782753 63.546 > 7 8 Cu 0.84318264744732 0.04529593900447 0.24951103782753 63.546 > 7 9 Cu 0.34318264744732 0.37862927233781 0.24951103782753 63.546 > 7 10 Cu 0.84318264744732 0.37862927233781 0.24951103782753 63.546 > 7 11 Cu 0.34318264744732 0.71196260567114 0.24951103782753 63.546 > 7 12 Cu 0.84318264744732 0.71196260567114 0.24951103782753 63.546 > 7 13 Cu 0.34318264744732 0.12137072766219 0.74951103782753 63.546 > 13 14 Cu 0.84318264744732 0.12137072766219 0.74951103782753 63.546 > 13 15 Cu 0.34318264744732 0.45470406099553 0.74951103782753 63.546 > 13 16 Cu 0.84318264744732 0.45470406099553 0.74951103782753 63.546 > 13 17 Cu 0.34318264744732 0.78803739432886 0.74951103782753 63.546 > 13 18 Cu 0.84318264744732 0.78803739432886 0.74951103782753 63.546 > 13 19 Cu 0.15681735255268 0.28803739432886 0.75048896217247 63.546 > 19 20 Cu 0.65681735255268 0.28803739432886 0.75048896217247 63.546 > 19 21 Cu 0.15681735255268 0.62137072766219 0.75048896217247 63.546 > 19 22 Cu 0.65681735255268 0.62137072766219 0.75048896217247 63.546 > 19 23 Cu 0.15681735255268 0.95470406099553 0.75048896217247 63.546 > 19 24 Cu 0.65681735255268 0.95470406099553 0.75048896217247 63.546 > 19 25 Se 0.39959549670192 0.00772079931483 0.65360830181409 78.960 > 25 26 Se 0.89959549670192 0.00772079931483 0.65360830181409 78.960 > 25 27 Se 0.39959549670192 0.34105413264816 0.65360830181409 78.960 > 25 28 Se 0.89959549670192 0.34105413264816 0.65360830181409 78.960 > 25 29 Se 0.39959549670192 0.67438746598149 0.65360830181409 78.960 > 25 30 Se 0.89959549670192 0.67438746598149 0.65360830181409 78.960 > 25 31 Se 0.10040450329808 0.17438746598149 0.84639169818591 78.960 > 31 32 Se 0.60040450329808 0.17438746598149 0.84639169818591 78.960 > 31 33 Se 0.10040450329808 0.50772079931483 0.84639169818591 78.960 > 31 34 Se 0.60040450329808 0.50772079931483 0.84639169818591 78.960 > 31 35 Se 0.10040450329808 0.84105413264816 0.84639169818591 78.960 > 31 36 Se 0.60040450329808 0.84105413264816 0.84639169818591 78.960 > 31 37 Se 0.10040450329808 0.32561253401851 0.34639169818591 78.960 > 37 38 Se 0.60040450329808 0.32561253401851 0.34639169818591 78.960 > 37 39 Se 0.10040450329808 0.65894586735184 0.34639169818591 78.960 > 37 40 Se 0.60040450329808 0.65894586735184 0.34639169818591 78.960 > 37 41 Se 0.10040450329808 0.99227920068517 0.34639169818591 78.960 > 37 42 Se 0.60040450329808 0.99227920068517 0.34639169818591 78.960 > 37 43 Se 0.39959549670192 0.15894586735184 0.15360830181409 78.960 > 43 44 Se 0.89959549670192 0.15894586735184 0.15360830181409 78.960 > 43 45 Se 0.39959549670192 0.49227920068517 0.15360830181409 78.960 > 43 46 Se 0.89959549670192 0.49227920068517 0.15360830181409 78.960 > 43 47 Se 0.39959549670192 0.82561253401851 0.15360830181409 78.960 > 43 48 Se 0.89959549670192 0.82561253401851 0.15360830181409 78.960 > 43 49 Se 0.46025737786292 0.26397780009994 0.34252453115553 78.960 > 49 50 Se 0.96025737786292 0.26397780009994 0.34252453115553 78.960 > 49 51 Se 0.46025737786292 0.59731113343327 0.34252453115553 78.960 > 49 52 Se 0.96025737786292 0.59731113343327 0.34252453115553 78.960 > 49 53 Se 0.46025737786292 0.93064446676661 0.34252453115553 78.960 > 49 54 Se 0.96025737786292 0.93064446676661 0.34252453115553 78.960 > 49 55 Se 0.03974262213708 0.09731113343327 0.15747546884447 78.960 > 55 56 Se 0.53974262213708 0.09731113343327 0.15747546884447 78.960 > 55 57 Se 0.03974262213708 0.43064446676661 0.15747546884447 78.960 > 55 58 Se 0.53974262213708 0.43064446676661 0.15747546884447 78.960 > 55 59 Se 0.03974262213708 0.76397780009994 0.15747546884447 78.960 > 55 60 Se 0.53974262213708 0.76397780009994 0.15747546884447 78.960 > 55 61 Se 0.03974262213708 0.06935553323339 0.65747546884447 78.960 > 61 62 Se 0.53974262213708 0.06935553323339 0.65747546884447 78.960 > 61 63 Se 0.03974262213708 0.40268886656673 0.65747546884447 78.960 > 61 64 Se 0.53974262213708 0.40268886656673 0.65747546884447 78.960 > 61 65 Se 0.03974262213708 0.73602219990006 0.65747546884447 78.960 > 61 66 Se 0.53974262213708 0.73602219990006 0.65747546884447 78.960 > 61 67 Se 0.46025737786292 0.23602219990006 0.84252453115553 78.960 > 67 68 Se 0.96025737786292 0.23602219990006 0.84252453115553 78.960 > 67 69 Se 0.46025737786292 0.56935553323339 0.84252453115553 78.960 > 67 70 Se 0.96025737786292 0.56935553323339 0.84252453115553 78.960 > 67 71 Se 0.46025737786292 0.90268886656673 0.84252453115553 78.960 > 67 72 Se 0.96025737786292 0.90268886656673 0.84252453115553 78.960 > 67 73 Br 0.20275335068789 0.20517181603599 0.60739155218472 79.904 > 73 74 Br 0.70275335068789 0.20517181603599 0.60739155218472 79.904 > 73 75 Br 0.20275335068789 0.53850514936932 0.60739155218472 79.904 > 73 76 Br 0.70275335068789 0.53850514936932 0.60739155218472 79.904 > 73 77 Br 0.20275335068789 0.87183848270265 0.60739155218472 79.904 > 73 78 Br 0.70275335068789 0.87183848270265 0.60739155218472 79.904 > 73 79 Br 0.29724664931211 0.03850514936932 0.89260844781528 79.904 > 79 80 Br 0.79724664931211 0.03850514936932 0.89260844781528 79.904 > 79 81 Br 0.29724664931211 0.37183848270265 0.89260844781528 79.904 > 79 82 Br 0.79724664931211 0.37183848270265 0.89260844781528 79.904 > 79 83 Br 0.29724664931211 0.70517181603599 0.89260844781528 79.904 > 79 84 Br 0.79724664931211 0.70517181603599 0.89260844781528 79.904 > 79 85 Br 0.29724664931211 0.12816151729735 0.39260844781528 79.904 > 85 86 Br 0.79724664931211 0.12816151729735 0.39260844781528 79.904 > 85 87 Br 0.29724664931211 0.46149485063068 0.39260844781528 79.904 > 85 88 Br 0.79724664931211 0.46149485063068 0.39260844781528 79.904 > 85 89 Br 0.29724664931211 0.79482818396401 0.39260844781528 79.904 > 85 90 Br 0.79724664931211 0.79482818396401 0.39260844781528 79.904 > 85 91 Br 0.20275335068789 0.29482818396401 0.10739155218472 79.904 > 91 92 Br 0.70275335068789 0.29482818396401 0.10739155218472 79.904 > 91 93 Br 0.20275335068789 0.62816151729735 0.10739155218472 79.904 > 91 94 Br 0.70275335068789 0.62816151729735 0.10739155218472 79.904 > 91 95 Br 0.20275335068789 0.96149485063068 0.10739155218472 79.904 > 91 96 Br 0.70275335068789 0.96149485063068 0.10739155218472 79.904 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.1696194 0.0000000 0.6060266 0.0000000 9.6842585 0.0000000 0.6060246 0.0000000 8.0511951 -------------------------- Born effective charges -------------------------- 1 Cu 0.9720685 -0.0799891 0.0720680 0.0171911 0.3312037 -0.8827819 -0.0135084 -0.4703904 0.7490692 2 Cu 0.9720685 0.0799891 0.0720680 -0.0171911 0.3312037 0.8827819 -0.0135084 0.4703904 0.7490692 3 Cu 0.9720685 -0.0799891 0.0720680 0.0171911 0.3312037 -0.8827819 -0.0135084 -0.4703904 0.7490692 4 Cu 0.9720685 0.0799891 0.0720680 -0.0171911 0.3312037 0.8827819 -0.0135084 0.4703904 0.7490692 5 Se 0.4908919 -0.0697607 0.0358856 -0.0290070 0.8818476 -0.4511522 0.2729867 -0.8196234 1.0791456 6 Se 0.4908919 0.0697607 0.0358856 0.0290070 0.8818476 0.4511522 0.2729867 0.8196234 1.0791456 7 Se 0.4908919 -0.0697607 0.0358856 -0.0290070 0.8818476 -0.4511522 0.2729867 -0.8196234 1.0791456 8 Se 0.4908919 0.0697607 0.0358856 0.0290070 0.8818476 0.4511522 0.2729867 0.8196234 1.0791456 9 Se 0.3695735 0.0222686 0.2106704 0.2664414 0.2726937 -0.4284818 -0.1591306 -0.3533689 -0.2245435 10 Se 0.3695735 -0.0222686 0.2106704 -0.2664414 0.2726937 0.4284818 -0.1591306 0.3533689 -0.2245435 11 Se 0.3695735 0.0222686 0.2106704 0.2664414 0.2726937 -0.4284818 -0.1591306 -0.3533689 -0.2245435 12 Se 0.3695735 -0.0222686 0.2106704 -0.2664414 0.2726937 0.4284818 -0.1591306 0.3533689 -0.2245435 13 Br -1.8325338 -0.0964482 -0.3186241 0.2155939 -1.4857450 0.2075578 -0.1003477 0.3317271 -1.6036713 14 Br -1.8325338 0.0964482 -0.3186241 -0.2155939 -1.4857450 -0.2075578 -0.1003477 -0.3317271 -1.6036713 15 Br -1.8325338 -0.0964482 -0.3186241 0.2155939 -1.4857450 0.2075578 -0.1003477 0.3317271 -1.6036713 16 Br -1.8325338 0.0964482 -0.3186241 -0.2155939 -1.4857450 -0.2075578 -0.1003477 -0.3317271 -1.6036713 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 11 5 ] 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: 0.57, Number of G-points: 303, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.633 ( 0.000 0.000 0.000) 0.000 0.789 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.509 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 7.956 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( 13.805 0.000 0.371) 13.810 0.418 ( 20.212 0.000 3.077) 20.445 0.633 ( 29.899 0.000 4.712) 30.268 0.731 ( 10.217 0.000 1.007) 10.267 0.942 ( 13.253 0.000 1.529) 13.341 1.110 ( -3.235 0.000 -4.295) 5.377 1.228 ( -0.309 0.000 -0.240) 0.391 1.321 ( 1.574 0.000 -2.544) 2.992 1.549 ( -6.536 0.000 1.671) 6.747 1.568 ( -6.083 0.000 -0.167) 6.085 1.832 ( 2.963 0.000 0.535) 3.011 1.978 ( -2.071 0.000 -0.814) 2.225 2.027 ( 1.226 0.000 3.497) 3.706 2.089 ( 2.348 0.000 -8.038) 8.374 2.279 ( 4.323 0.000 3.537) 5.585 2.281 ( 1.559 0.000 -2.382) 2.847 2.484 ( -0.214 0.000 0.383) 0.439 2.502 ( -1.089 0.000 0.268) 1.122 2.954 ( -6.871 0.000 -0.670) 6.904 2.989 ( -8.749 0.000 1.203) 8.831 3.305 ( 1.591 0.000 -1.913) 2.489 3.321 ( 1.584 0.000 1.677) 2.307 3.882 ( 2.775 0.000 0.314) 2.792 3.918 ( 1.961 0.000 0.156) 1.968 4.186 ( 4.229 0.000 2.851) 5.100 4.339 ( 0.414 0.000 -5.721) 5.736 4.789 ( -3.303 0.000 1.653) 3.693 4.964 ( -3.708 0.000 -0.141) 3.711 5.014 ( -4.335 0.000 6.723) 8.000 5.091 ( -0.344 0.000 -1.050) 1.105 5.175 ( -1.224 0.000 1.693) 2.089 5.231 ( 3.111 0.000 -0.442) 3.142 5.375 ( 0.190 0.000 0.095) 0.213 5.423 ( -2.841 0.000 -1.066) 3.035 5.591 ( -0.359 0.000 0.810) 0.886 5.601 ( 0.737 0.000 -1.759) 1.907 5.711 ( 1.247 0.000 0.214) 1.266 5.752 ( 1.272 0.000 -0.718) 1.460 5.866 ( -1.363 0.000 1.079) 1.738 5.894 ( -1.797 0.000 0.216) 1.810 6.096 ( 1.125 0.000 0.408) 1.197 6.125 ( 2.196 0.000 -0.505) 2.254 6.407 ( -0.481 0.000 0.349) 0.594 6.432 ( -1.019 0.000 0.397) 1.094 7.286 ( 1.111 0.000 0.208) 1.130 7.298 ( 0.605 0.000 -0.256) 0.657 7.949 ( -0.661 0.000 -0.144) 0.676 7.950 ( -0.362 0.000 0.159) 0.396 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 13.967 0.000 0.121) 13.968 0.755 ( 12.353 0.000 -0.866) 12.383 0.917 ( 11.576 0.000 -1.415) 11.662 0.974 ( -2.582 0.000 -0.960) 2.755 1.149 ( 5.240 0.000 2.154) 5.666 1.244 ( 11.572 0.000 2.413) 11.821 1.255 ( 14.572 0.000 -1.753) 14.677 1.331 ( 2.652 0.000 -2.386) 3.567 1.441 ( -6.802 0.000 0.488) 6.820 1.453 ( -1.057 0.000 1.960) 2.226 1.886 ( 2.237 0.000 0.136) 2.241 1.929 ( -1.761 0.000 -1.857) 2.559 2.067 ( 0.389 0.000 -3.177) 3.201 2.087 ( 0.856 0.000 4.165) 4.252 2.290 ( 1.739 0.000 -2.467) 3.018 2.382 ( 3.230 0.000 3.019) 4.421 2.482 ( -0.655 0.000 -0.557) 0.860 2.483 ( -0.174 0.000 0.384) 0.421 2.786 ( -13.461 0.000 0.171) 13.462 2.806 ( -8.137 0.000 -0.011) 8.137 3.320 ( 1.503 0.000 -1.318) 1.999 3.353 ( 0.316 0.000 1.285) 1.323 3.930 ( 2.299 0.000 -0.500) 2.353 3.959 ( 2.040 0.000 -0.142) 2.045 4.298 ( 1.410 0.000 -6.429) 6.582 4.333 ( 7.518 0.000 5.183) 9.132 4.727 ( -4.543 0.000 1.258) 4.714 4.862 ( -5.699 0.000 -2.487) 6.218 5.007 ( -1.692 0.000 3.809) 4.168 5.075 ( -0.825 0.000 0.284) 0.873 5.169 ( -0.627 0.000 0.626) 0.886 5.285 ( 2.795 0.000 -0.382) 2.821 5.358 ( -2.825 0.000 -1.184) 3.063 5.379 ( 0.043 0.000 0.246) 0.250 5.583 ( -1.081 0.000 -0.840) 1.369 5.591 ( -0.436 0.000 0.838) 0.944 5.743 ( 1.800 0.000 0.338) 1.832 5.767 ( 0.248 0.000 -0.264) 0.362 5.854 ( -0.289 0.000 0.272) 0.397 5.858 ( -2.215 0.000 0.307) 2.236 6.129 ( 1.754 0.000 0.679) 1.881 6.162 ( 2.165 0.000 -0.645) 2.259 6.401 ( -0.554 0.000 0.477) 0.731 6.411 ( -1.224 0.000 -0.386) 1.284 7.309 ( 0.768 0.000 -0.308) 0.827 7.312 ( 1.356 0.000 0.249) 1.379 7.933 ( -0.827 0.000 -0.186) 0.848 7.943 ( -0.464 0.000 0.198) 0.505 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 11.940 0.000 -0.443) 11.948 0.758 ( -2.020 0.000 -3.341) 3.905 1.011 ( -7.082 0.000 1.217) 7.186 1.093 ( 7.467 0.000 1.892) 7.703 1.122 ( 4.703 0.000 -0.753) 4.763 1.292 ( -2.922 0.000 -0.481) 2.962 1.297 ( -1.469 0.000 -0.364) 1.513 1.318 ( -3.038 0.000 -1.486) 3.382 1.514 ( 7.032 0.000 0.161) 7.034 1.742 ( 15.903 0.000 2.863) 16.159 1.891 ( -0.784 0.000 -0.597) 0.986 1.916 ( 1.207 0.000 -0.187) 1.221 2.039 ( -1.733 0.000 -1.023) 2.012 2.110 ( -1.029 0.000 1.764) 2.043 2.302 ( 0.928 0.000 -0.859) 1.264 2.434 ( 0.225 0.000 1.878) 1.892 2.477 ( 0.343 0.000 -0.813) 0.883 2.485 ( 0.087 0.000 0.174) 0.194 2.540 ( -10.180 0.000 -0.902) 10.220 2.687 ( -3.951 0.000 0.232) 3.958 3.333 ( 0.599 0.000 -0.405) 0.723 3.359 ( -0.154 0.000 0.398) 0.427 3.955 ( 0.854 0.000 -0.338) 0.918 3.982 ( 0.718 0.000 -0.278) 0.769 4.284 ( 1.076 0.000 -2.595) 2.809 4.527 ( 8.059 0.000 5.227) 9.606 4.666 ( -2.253 0.000 0.388) 2.286 4.716 ( -7.050 0.000 -3.883) 8.049 5.011 ( -0.369 0.000 1.256) 1.310 5.068 ( -0.396 0.000 0.582) 0.704 5.164 ( -0.107 0.000 -0.138) 0.175 5.307 ( -1.451 0.000 0.692) 1.607 5.322 ( 1.292 0.000 -1.439) 1.934 5.381 ( -0.008 0.000 0.138) 0.138 5.562 ( -0.486 0.000 -0.342) 0.594 5.589 ( -0.216 0.000 0.322) 0.388 5.758 ( -0.530 0.000 -0.065) 0.534 5.779 ( 1.785 0.000 0.153) 1.792 5.821 ( -1.934 0.000 0.151) 1.940 5.858 ( 0.250 0.000 0.090) 0.266 6.162 ( 0.992 0.000 0.418) 1.077 6.187 ( 0.848 0.000 -0.297) 0.899 6.387 ( -0.711 0.000 -0.331) 0.784 6.397 ( -0.232 0.000 0.232) 0.328 7.318 ( 0.346 0.000 -0.133) 0.371 7.333 ( 0.595 0.000 0.107) 0.605 7.920 ( -0.371 0.000 -0.082) 0.380 7.938 ( -0.211 0.000 0.088) 0.229 ======================= Grid point 7 (5/108) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.142 ( 0.000 8.640 0.000) 8.640 0.392 ( 0.000 19.917 0.000) 19.917 0.400 ( 0.000 19.976 0.000) 19.976 0.742 ( 0.000 9.956 0.000) 9.956 0.867 ( 0.000 7.370 0.000) 7.370 1.161 ( 0.000 -0.660 0.000) 0.660 1.260 ( 0.000 2.911 0.000) 2.911 1.543 ( 0.000 0.677 0.000) 0.677 1.619 ( 0.000 1.129 0.000) 1.129 1.686 ( 0.000 1.990 0.000) 1.990 1.773 ( 0.000 -2.387 0.000) 2.387 1.821 ( 0.000 -1.239 0.000) 1.239 2.015 ( 0.000 0.589 0.000) 0.589 2.101 ( 0.000 1.711 0.000) 1.711 2.160 ( 0.000 -4.216 0.000) 4.216 2.292 ( 0.000 -1.594 0.000) 1.594 2.471 ( 0.000 -0.892 0.000) 0.892 2.521 ( 0.000 1.103 0.000) 1.103 3.014 ( 0.000 -1.790 0.000) 1.790 3.051 ( 0.000 -1.644 0.000) 1.644 3.297 ( 0.000 1.549 0.000) 1.549 3.325 ( 0.000 2.676 0.000) 2.676 3.819 ( 0.000 -2.744 0.000) 2.744 3.877 ( 0.000 -2.861 0.000) 2.861 4.137 ( 0.000 1.350 0.000) 1.350 4.433 ( 0.000 5.184 0.000) 5.184 4.800 ( 0.000 -0.818 0.000) 0.818 4.811 ( 0.000 -0.311 0.000) 0.311 5.055 ( 0.000 1.869 0.000) 1.869 5.176 ( 0.000 -2.206 0.000) 2.206 5.177 ( 0.000 -0.379 0.000) 0.379 5.190 ( 0.000 -1.858 0.000) 1.858 5.392 ( 0.000 -2.295 0.000) 2.295 5.450 ( 0.000 -1.137 0.000) 1.137 5.558 ( 0.000 -1.007 0.000) 1.007 5.608 ( 0.000 0.901 0.000) 0.901 5.731 ( 0.000 2.654 0.000) 2.654 5.772 ( 0.000 2.528 0.000) 2.528 5.867 ( 0.000 0.065 0.000) 0.065 5.928 ( 0.000 1.403 0.000) 1.403 6.089 ( 0.000 0.615 0.000) 0.615 6.117 ( 0.000 1.117 0.000) 1.117 6.385 ( 0.000 -1.802 0.000) 1.802 6.417 ( 0.000 -0.250 0.000) 0.250 7.283 ( 0.000 0.808 0.000) 0.808 7.308 ( 0.000 1.447 0.000) 1.447 7.936 ( 0.000 -1.686 0.000) 1.686 7.941 ( 0.000 -1.560 0.000) 1.560 ======================= Grid point 8 (6/108) ======================= q-point: ( 0.14 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 11.968 5.598 2.938) 13.536 0.380 ( 14.849 4.212 2.416) 15.622 0.771 ( 5.967 5.289 -0.951) 8.030 0.821 ( 21.853 11.924 3.912) 25.200 1.013 ( 10.813 6.301 1.163) 12.569 1.116 ( -1.626 0.721 -3.809) 4.204 1.253 ( -0.700 2.776 -0.195) 2.869 1.430 ( -3.821 7.021 -3.595) 8.765 1.516 ( -7.109 -1.454 0.782) 7.298 1.602 ( -5.724 2.018 -0.358) 6.080 1.829 ( 2.980 -0.290 0.455) 3.029 1.906 ( 4.615 -4.657 0.372) 6.567 2.011 ( -4.199 -1.467 -1.579) 4.719 2.093 ( 3.624 -0.825 -1.206) 3.908 2.256 ( 4.747 -1.617 -0.381) 5.029 2.285 ( 1.195 -0.605 1.196) 1.795 2.476 ( -0.143 -0.466 0.973) 1.088 2.514 ( -0.601 1.274 -0.083) 1.411 2.941 ( -6.573 -1.295 -0.529) 6.720 2.988 ( -7.185 -0.269 0.886) 7.244 3.323 ( 1.767 2.049 -1.271) 2.989 3.336 ( 1.179 1.548 1.293) 2.336 3.841 ( 1.928 -3.647 0.212) 4.131 3.889 ( 1.314 -3.377 -0.275) 3.634 4.194 ( 4.707 1.723 2.897) 5.789 4.405 ( -0.028 5.523 -5.159) 7.558 4.779 ( -3.331 -1.097 1.400) 3.776 4.881 ( 1.359 -4.345 4.126) 6.144 5.020 ( -2.940 1.798 0.226) 3.454 5.112 ( -3.475 -0.313 -0.764) 3.572 5.196 ( -1.003 0.505 1.786) 2.110 5.215 ( 3.555 -1.492 -1.020) 3.988 5.369 ( -1.272 -0.788 0.612) 1.617 5.426 ( -1.390 -0.161 -1.553) 2.090 5.565 ( 0.368 -1.667 0.136) 1.712 5.607 ( -0.729 0.218 0.023) 0.761 5.741 ( 0.766 2.550 0.187) 2.669 5.770 ( 0.399 1.916 -0.407) 1.999 5.864 ( -0.276 0.435 0.224) 0.562 5.912 ( -1.789 1.413 0.199) 2.288 6.102 ( 1.209 0.668 0.257) 1.405 6.130 ( 1.508 0.480 -0.391) 1.630 6.391 ( 0.092 -1.674 0.313) 1.706 6.418 ( -0.488 -0.864 0.258) 1.025 7.295 ( 1.080 0.896 0.221) 1.420 7.312 ( 0.557 1.405 -0.257) 1.533 7.934 ( -0.349 -1.652 0.147) 1.695 7.934 ( -0.653 -1.577 -0.141) 1.713 ======================= Grid point 9 (7/108) ======================= q-point: ( 0.29 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 12.578 4.455 0.798) 13.368 0.720 ( 15.174 -2.310 0.765) 15.367 0.918 ( 8.526 0.403 -1.331) 8.639 0.981 ( 0.346 1.161 -2.183) 2.496 1.169 ( -0.158 1.546 1.719) 2.317 1.263 ( 9.223 1.354 -1.478) 9.439 1.271 ( 9.265 2.245 0.901) 9.575 1.383 ( 0.891 4.036 -1.427) 4.373 1.403 ( -4.196 -1.843 0.193) 4.587 1.489 ( -3.964 1.884 0.800) 4.462 1.871 ( 1.041 -1.163 -0.850) 1.777 1.950 ( 1.150 1.116 -0.140) 1.609 1.991 ( 2.345 -4.223 0.629) 4.872 2.109 ( -0.693 -0.526 0.596) 1.055 2.281 ( 1.979 -1.078 -2.290) 3.213 2.377 ( 3.536 -0.663 2.718) 4.509 2.473 ( -0.754 -0.194 -0.165) 0.796 2.511 ( 0.426 2.452 0.339) 2.511 2.796 ( -8.684 -0.606 -0.393) 8.714 2.819 ( -10.630 2.472 0.483) 10.924 3.337 ( 1.134 1.791 -0.862) 2.288 3.373 ( 1.027 2.037 0.933) 2.464 3.874 ( 1.660 -5.131 -0.907) 5.469 3.919 ( 1.882 -3.951 0.169) 4.379 4.340 ( 5.952 2.956 0.585) 6.671 4.365 ( 2.285 3.851 -1.578) 4.748 4.718 ( -4.102 -0.870 1.083) 4.331 4.858 ( -4.905 -0.740 -1.093) 5.079 4.993 ( -1.164 -0.364 2.347) 2.645 5.069 ( -1.004 -0.601 0.237) 1.193 5.186 ( -1.079 1.120 0.787) 1.743 5.273 ( 3.105 -1.229 -0.646) 3.401 5.353 ( -1.449 0.066 0.020) 1.451 5.393 ( -0.377 0.602 -0.940) 1.178 5.568 ( -0.518 -1.614 -0.165) 1.703 5.583 ( -1.340 -0.506 0.342) 1.472 5.761 ( 1.182 1.733 0.291) 2.118 5.772 ( -0.296 0.736 -0.102) 0.800 5.867 ( 0.401 1.395 0.144) 1.459 5.873 ( -2.363 1.344 0.106) 2.720 6.130 ( 1.157 0.111 0.530) 1.277 6.161 ( 2.215 -0.068 -0.521) 2.276 6.394 ( -0.034 -0.919 0.208) 0.943 6.402 ( -1.175 -0.711 -0.088) 1.376 7.317 ( 0.916 0.931 -0.138) 1.314 7.326 ( 1.180 1.325 0.098) 1.777 7.918 ( -0.833 -1.577 -0.196) 1.794 7.928 ( -0.437 -1.609 0.203) 1.680 ======================= Grid point 10 (8/108) ======================= q-point: ( 0.43 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 2.570 0.860 -1.024) 2.897 0.811 ( 8.058 4.317 -2.472) 9.470 1.024 ( -7.522 1.307 1.438) 7.769 1.100 ( 9.147 0.500 2.548) 9.508 1.135 ( 6.465 0.973 -1.046) 6.620 1.282 ( -3.089 -0.520 0.155) 3.136 1.299 ( -2.891 -0.539 -0.630) 3.008 1.318 ( -3.606 0.412 -2.451) 4.379 1.448 ( 3.535 -5.224 0.388) 6.319 1.594 ( 4.948 -10.226 1.039) 11.408 1.892 ( 2.554 1.996 -0.040) 3.241 1.981 ( 0.642 -3.355 -0.198) 3.421 2.062 ( 4.837 5.031 0.840) 7.030 2.090 ( -1.800 -2.099 1.078) 2.968 2.285 ( -0.231 -1.834 -1.282) 2.249 2.442 ( 1.214 0.808 2.072) 2.533 2.459 ( 0.309 -0.163 -1.154) 1.206 2.523 ( -0.424 3.082 0.389) 3.135 2.610 ( -7.115 5.397 -0.991) 8.986 2.686 ( -4.423 0.183 0.433) 4.448 3.348 ( 0.444 1.724 -0.179) 1.789 3.388 ( 0.250 2.809 0.224) 2.829 3.887 ( 0.582 -5.946 -0.626) 6.007 3.948 ( 0.866 -3.897 0.114) 3.994 4.330 ( 0.573 4.203 -2.481) 4.914 4.540 ( 8.194 1.144 4.844) 9.587 4.664 ( -2.076 -0.142 0.533) 2.148 4.723 ( -7.111 0.704 -3.610) 8.006 4.995 ( -0.413 -1.103 1.030) 1.565 5.067 ( 0.036 -0.399 0.482) 0.626 5.175 ( -0.426 0.941 0.050) 1.034 5.309 ( 0.741 -0.943 0.605) 1.343 5.324 ( -0.533 1.326 -1.295) 1.928 5.393 ( 0.327 0.915 0.002) 0.971 5.544 ( -0.872 -1.570 -0.260) 1.815 5.578 ( -0.143 -1.320 0.270) 1.355 5.761 ( -0.478 0.592 -0.058) 0.763 5.788 ( 1.371 0.944 0.229) 1.681 5.833 ( -1.811 1.307 -0.021) 2.233 5.876 ( 0.297 1.623 0.084) 1.652 6.148 ( 0.419 -1.039 0.173) 1.133 6.194 ( 1.244 0.385 -0.066) 1.304 6.378 ( -0.760 -0.859 -0.248) 1.173 6.397 ( -0.015 -0.122 0.180) 0.219 7.327 ( 0.334 0.954 -0.139) 1.020 7.346 ( 0.600 1.282 0.121) 1.421 7.904 ( -0.373 -1.582 -0.086) 1.627 7.923 ( -0.200 -1.571 0.090) 1.586 ======================= Grid point 14 (9/108) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 0.000 11.237 0.000) 11.237 0.748 ( 0.000 16.617 0.000) 16.617 0.751 ( 0.000 16.241 0.000) 16.241 0.957 ( 0.000 11.507 0.000) 11.507 1.031 ( 0.000 8.609 0.000) 8.609 1.148 ( 0.000 -0.341 0.000) 0.341 1.327 ( 0.000 3.534 0.000) 3.534 1.563 ( 0.000 1.255 0.000) 1.255 1.642 ( 0.000 0.852 0.000) 0.852 1.721 ( 0.000 -2.282 0.000) 2.282 1.741 ( 0.000 3.859 0.000) 3.859 1.807 ( 0.000 -0.450 0.000) 0.450 2.006 ( 0.000 -1.470 0.000) 1.470 2.054 ( 0.000 -6.403 0.000) 6.403 2.132 ( 0.000 0.893 0.000) 0.893 2.243 ( 0.000 -3.447 0.000) 3.447 2.470 ( 0.000 1.291 0.000) 1.291 2.553 ( 0.000 2.399 0.000) 2.399 2.970 ( 0.000 -2.700 0.000) 2.700 3.009 ( 0.000 -2.551 0.000) 2.551 3.345 ( 0.000 3.175 0.000) 3.175 3.388 ( 0.000 3.760 0.000) 3.760 3.750 ( 0.000 -4.293 0.000) 4.293 3.799 ( 0.000 -4.709 0.000) 4.709 4.202 ( 0.000 5.110 0.000) 5.110 4.536 ( 0.000 4.984 0.000) 4.984 4.775 ( 0.000 -1.829 0.000) 1.829 4.799 ( 0.000 -1.084 0.000) 1.084 5.101 ( 0.000 2.474 0.000) 2.474 5.126 ( 0.000 -2.589 0.000) 2.589 5.150 ( 0.000 -1.839 0.000) 1.839 5.170 ( 0.000 -0.102 0.000) 0.102 5.343 ( 0.000 -2.656 0.000) 2.656 5.425 ( 0.000 -1.188 0.000) 1.188 5.542 ( 0.000 -0.669 0.000) 0.669 5.614 ( 0.000 -0.341 0.000) 0.341 5.800 ( 0.000 4.204 0.000) 4.204 5.829 ( 0.000 3.241 0.000) 3.241 5.880 ( 0.000 1.321 0.000) 1.321 5.957 ( 0.000 1.602 0.000) 1.602 6.105 ( 0.000 0.979 0.000) 0.979 6.141 ( 0.000 1.241 0.000) 1.241 6.344 ( 0.000 -2.457 0.000) 2.457 6.401 ( 0.000 -1.491 0.000) 1.491 7.310 ( 0.000 1.955 0.000) 1.955 7.346 ( 0.000 2.400 0.000) 2.400 7.889 ( 0.000 -3.217 0.000) 3.217 7.897 ( 0.000 -3.062 0.000) 3.062 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.14 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 9.331 9.068 3.913) 13.587 0.589 ( -0.706 14.601 0.508) 14.627 0.904 ( 0.031 7.620 -1.641) 7.795 1.005 ( 7.824 6.308 -0.940) 10.094 1.140 ( 4.939 6.195 2.189) 8.220 1.163 ( 6.919 4.868 -2.049) 8.704 1.322 ( -0.776 3.806 0.522) 3.919 1.475 ( -7.310 -0.349 0.588) 7.342 1.560 ( -4.867 3.994 -2.533) 6.786 1.641 ( -5.484 2.241 -1.354) 6.077 1.818 ( 1.120 -1.480 -0.269) 1.875 1.843 ( 6.226 -1.364 0.383) 6.385 1.967 ( -4.369 -3.022 -0.442) 5.331 2.054 ( 2.550 -2.721 0.541) 3.768 2.215 ( 3.648 -2.864 -0.864) 4.717 2.258 ( 2.751 -2.142 1.422) 3.765 2.484 ( 0.424 1.713 1.422) 2.267 2.551 ( 0.247 2.591 -0.412) 2.635 2.907 ( -5.810 -2.108 -0.429) 6.195 2.972 ( -4.371 -1.419 0.465) 4.619 3.376 ( 2.351 2.947 0.863) 3.868 3.384 ( 0.170 3.633 -0.705) 3.705 3.757 ( 0.535 -4.887 -0.073) 4.917 3.802 ( 0.617 -5.075 -0.303) 5.121 4.258 ( 4.452 4.714 2.886) 7.098 4.515 ( -0.122 5.451 -4.403) 7.008 4.749 ( -3.126 -1.966 0.867) 3.793 4.822 ( 0.791 -2.371 2.381) 3.452 5.065 ( -3.171 2.334 1.037) 4.072 5.097 ( -2.285 -0.761 -1.920) 3.080 5.174 ( 2.971 -1.718 0.284) 3.444 5.195 ( 0.876 -0.831 0.739) 1.415 5.347 ( 0.127 -1.404 0.770) 1.606 5.413 ( -0.274 -0.945 -1.720) 1.982 5.539 ( -0.547 -1.091 0.332) 1.264 5.605 ( -1.224 -0.596 0.172) 1.372 5.800 ( -0.155 3.616 0.455) 3.648 5.821 ( -0.542 3.093 -0.521) 3.183 5.887 ( 0.645 1.772 0.162) 1.893 5.942 ( -1.495 1.715 -0.157) 2.281 6.119 ( 1.309 0.902 -0.069) 1.591 6.141 ( 0.096 0.546 -0.078) 0.560 6.353 ( 0.728 -2.172 0.266) 2.306 6.397 ( -0.468 -1.525 -0.031) 1.596 7.322 ( 1.102 1.970 0.287) 2.275 7.349 ( 0.490 2.372 -0.284) 2.439 7.887 ( -0.293 -3.191 0.156) 3.208 7.890 ( -0.623 -3.019 -0.159) 3.087 ======================= Grid point 16 (11/108) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 9.277 7.481 2.090) 12.100 0.722 ( 11.950 3.239 1.430) 12.464 0.939 ( 4.019 1.796 -1.944) 4.812 1.025 ( 3.551 3.403 -3.004) 5.763 1.203 ( -3.604 2.148 1.813) 4.571 1.297 ( 5.015 2.005 -1.030) 5.498 1.325 ( -0.158 2.530 0.507) 2.585 1.369 ( -2.571 -0.680 0.258) 2.672 1.458 ( -4.420 3.017 -2.609) 5.954 1.519 ( -5.721 1.316 -0.519) 5.893 1.844 ( 2.324 -2.012 -0.363) 3.096 1.889 ( -0.787 -4.199 1.067) 4.404 1.991 ( 5.780 1.045 1.297) 6.015 2.069 ( -1.090 -3.141 0.231) 3.333 2.243 ( 1.565 -2.890 -1.487) 3.607 2.346 ( 3.564 -2.704 2.039) 4.917 2.494 ( 0.112 2.597 0.084) 2.601 2.569 ( 1.852 3.340 0.123) 3.821 2.777 ( -7.520 -1.171 -0.256) 7.615 2.863 ( -7.246 1.514 0.131) 7.404 3.388 ( 0.770 3.322 -0.305) 3.424 3.427 ( 2.138 3.487 0.535) 4.125 3.761 ( 0.342 -6.177 -0.913) 6.254 3.820 ( 1.179 -5.931 0.395) 6.060 4.398 ( 6.922 3.520 4.231) 8.843 4.464 ( -0.496 5.524 -5.237) 7.628 4.696 ( -2.965 -1.260 0.740) 3.306 4.828 ( -2.470 -2.049 0.803) 3.308 5.015 ( -2.686 2.329 0.809) 3.645 5.056 ( -0.844 -0.502 -0.439) 1.075 5.196 ( -0.864 -0.231 1.601) 1.833 5.242 ( 3.562 -1.784 -1.189) 4.157 5.360 ( 0.313 0.447 1.100) 1.228 5.392 ( 0.080 -0.545 -2.038) 2.111 5.529 ( -0.823 -2.132 0.333) 2.309 5.572 ( -2.189 -0.875 -0.096) 2.360 5.804 ( 0.017 2.650 -0.182) 2.656 5.805 ( -0.482 2.962 0.375) 3.024 5.902 ( 0.613 2.003 -0.023) 2.095 5.906 ( -2.015 2.042 -0.093) 2.871 6.132 ( -0.123 0.044 0.267) 0.298 6.161 ( 2.210 -0.004 -0.251) 2.224 6.367 ( 0.215 -1.725 0.082) 1.741 6.385 ( -0.410 -1.119 0.027) 1.192 7.345 ( 0.941 1.962 -0.061) 2.177 7.361 ( 1.081 2.301 0.056) 2.543 7.874 ( -0.793 -2.953 -0.203) 3.065 7.882 ( -0.374 -3.099 0.201) 3.128 ======================= Grid point 17 (12/108) ======================= q-point: ( 0.43 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 2.030 3.653 -0.702) 4.238 0.908 ( 9.617 5.024 -1.811) 11.000 1.050 ( 0.091 0.703 2.061) 2.180 1.115 ( 1.849 1.339 3.351) 4.054 1.146 ( 8.986 0.608 -2.144) 9.258 1.270 ( -3.904 -1.532 0.032) 4.194 1.288 ( -5.645 0.331 -0.366) 5.667 1.338 ( -5.793 1.778 -2.836) 6.690 1.366 ( 0.562 -2.516 -0.414) 2.611 1.455 ( -1.493 -3.196 0.614) 3.580 1.879 ( 0.569 -5.846 0.104) 5.875 1.922 ( 3.185 -0.060 1.137) 3.383 2.028 ( -2.616 -3.969 -0.435) 4.774 2.119 ( 5.395 0.671 1.623) 5.674 2.235 ( -1.417 -3.229 -1.220) 3.732 2.408 ( 1.321 -3.353 1.082) 3.763 2.515 ( 2.844 3.962 -0.196) 4.880 2.591 ( -1.788 3.641 -0.740) 4.124 2.662 ( -2.082 0.221 0.393) 2.130 2.739 ( -5.357 4.508 -0.059) 7.002 3.399 ( 0.468 3.489 -0.031) 3.520 3.458 ( 0.801 4.152 0.171) 4.232 3.757 ( 0.110 -7.012 -0.535) 7.034 3.842 ( 0.595 -6.770 0.284) 6.802 4.421 ( -0.279 4.867 -2.190) 5.345 4.564 ( 6.597 1.239 3.310) 7.484 4.662 ( -1.144 -0.024 0.593) 1.289 4.744 ( -5.291 1.431 -2.058) 5.854 4.990 ( -0.859 0.847 0.620) 1.356 5.052 ( 0.164 -0.849 0.126) 0.874 5.190 ( -0.498 0.432 0.464) 0.806 5.280 ( 1.235 -1.749 -0.400) 2.178 5.361 ( -0.256 2.083 -0.447) 2.146 5.400 ( 1.259 -0.350 0.056) 1.308 5.507 ( -1.512 -2.307 -0.028) 2.758 5.543 ( -0.574 -2.071 -0.022) 2.149 5.793 ( -0.302 2.725 -0.160) 2.746 5.816 ( 0.418 2.164 0.368) 2.235 5.870 ( -1.217 2.385 -0.247) 2.688 5.912 ( 0.242 1.983 0.093) 2.000 6.130 ( -0.093 -0.687 0.085) 0.699 6.196 ( 1.254 -0.264 0.010) 1.282 6.357 ( -0.611 -1.374 -0.158) 1.512 6.390 ( 0.263 -0.668 0.140) 0.731 7.354 ( 0.302 1.924 -0.151) 1.954 7.380 ( 0.604 2.270 0.145) 2.354 7.861 ( -0.355 -2.880 -0.090) 2.903 7.878 ( -0.174 -3.049 0.089) 3.056 ======================= Grid point 21 (13/108) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 12.398 0.000) 12.398 0.998 ( 0.000 8.212 0.000) 8.212 1.012 ( 0.000 10.773 0.000) 10.773 1.138 ( 0.000 4.182 0.000) 4.182 1.164 ( 0.000 9.784 0.000) 9.784 1.205 ( 0.000 5.815 0.000) 5.815 1.374 ( 0.000 0.941 0.000) 0.941 1.566 ( 0.000 -2.420 0.000) 2.420 1.651 ( 0.000 1.053 0.000) 1.053 1.696 ( 0.000 -0.393 0.000) 0.393 1.802 ( 0.000 0.013 0.000) 0.013 1.829 ( 0.000 4.825 0.000) 4.825 1.936 ( 0.000 -5.156 0.000) 5.156 1.965 ( 0.000 -2.446 0.000) 2.446 2.127 ( 0.000 -1.220 0.000) 1.220 2.166 ( 0.000 -4.477 0.000) 4.477 2.528 ( 0.000 4.525 0.000) 4.525 2.614 ( 0.000 3.922 0.000) 3.922 2.916 ( 0.000 -2.862 0.000) 2.862 2.963 ( 0.000 -2.059 0.000) 2.059 3.410 ( 0.000 3.379 0.000) 3.379 3.466 ( 0.000 4.280 0.000) 4.280 3.663 ( 0.000 -4.528 0.000) 4.528 3.712 ( 0.000 -4.114 0.000) 4.114 4.318 ( 0.000 6.571 0.000) 6.571 4.606 ( 0.000 2.095 0.000) 2.095 4.730 ( 0.000 -2.822 0.000) 2.822 4.766 ( 0.000 -2.396 0.000) 2.396 5.087 ( 0.000 -1.393 0.000) 1.393 5.122 ( 0.000 -0.356 0.000) 0.356 5.135 ( 0.000 0.621 0.000) 0.621 5.195 ( 0.000 2.594 0.000) 2.594 5.299 ( 0.000 -1.575 0.000) 1.575 5.413 ( 0.000 0.057 0.000) 0.057 5.528 ( 0.000 -0.999 0.000) 0.999 5.594 ( 0.000 -1.718 0.000) 1.718 5.884 ( 0.000 4.404 0.000) 4.404 5.892 ( 0.000 3.285 0.000) 3.285 5.915 ( 0.000 2.171 0.000) 2.171 5.988 ( 0.000 1.547 0.000) 1.547 6.123 ( 0.000 0.803 0.000) 0.803 6.161 ( 0.000 0.727 0.000) 0.727 6.293 ( 0.000 -2.763 0.000) 2.763 6.360 ( 0.000 -2.765 0.000) 2.765 7.358 ( 0.000 3.115 0.000) 3.115 7.399 ( 0.000 3.160 0.000) 3.160 7.815 ( 0.000 -4.454 0.000) 4.454 7.826 ( 0.000 -4.292 0.000) 4.292 ======================= Grid point 22 (14/108) ======================= q-point: ( 0.14 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 6.677 10.668 3.565) 13.080 0.869 ( -5.473 13.425 -0.755) 14.517 1.003 ( -0.718 2.893 -3.382) 4.508 1.125 ( -1.879 7.237 -0.427) 7.489 1.251 ( 5.469 4.902 1.987) 7.609 1.260 ( 3.364 4.375 -1.098) 5.627 1.370 ( -0.858 0.649 0.742) 1.307 1.486 ( -5.961 0.801 -0.367) 6.025 1.597 ( -3.806 0.536 0.436) 3.868 1.689 ( -5.829 2.199 -2.138) 6.586 1.777 ( 0.847 -2.412 0.155) 2.561 1.844 ( 0.739 1.123 -1.070) 1.718 1.914 ( 0.223 -2.047 1.311) 2.441 2.003 ( 1.615 -2.389 0.648) 2.956 2.145 ( 1.163 -4.204 0.441) 4.384 2.203 ( 3.566 -3.590 0.244) 5.066 2.544 ( 0.792 4.248 1.113) 4.462 2.613 ( 0.425 3.702 -0.672) 3.787 2.865 ( -4.813 -2.251 -0.453) 5.333 2.939 ( -2.756 -1.812 0.262) 3.309 3.434 ( 1.688 2.917 0.476) 3.404 3.461 ( 0.284 4.029 -0.385) 4.057 3.664 ( -0.166 -4.444 0.073) 4.448 3.708 ( -0.104 -4.490 -0.393) 4.509 4.364 ( 3.644 6.016 2.348) 7.415 4.597 ( 0.309 2.762 -3.224) 4.256 4.708 ( -2.253 -2.160 0.118) 3.123 4.777 ( 0.534 -2.508 1.397) 2.920 5.077 ( -1.802 -0.490 -0.976) 2.107 5.097 ( -0.662 -0.014 1.065) 1.254 5.167 ( 2.318 0.885 -1.550) 2.926 5.189 ( -0.950 0.942 2.069) 2.463 5.319 ( 1.544 -1.322 0.772) 2.174 5.402 ( -0.406 -0.054 -1.496) 1.551 5.519 ( -1.191 -1.203 0.296) 1.719 5.582 ( -1.334 -1.807 -0.065) 2.247 5.878 ( -0.618 4.226 0.183) 4.275 5.883 ( -0.540 3.439 -0.340) 3.498 5.926 ( 0.755 2.173 0.308) 2.321 5.976 ( -1.006 1.794 -0.397) 2.095 6.133 ( 1.189 0.605 -0.240) 1.356 6.150 ( -1.027 0.382 0.176) 1.110 6.308 ( 1.205 -2.441 0.368) 2.747 6.357 ( -0.123 -2.601 -0.261) 2.616 7.370 ( 1.038 3.050 0.310) 3.236 7.401 ( 0.424 3.125 -0.281) 3.167 7.813 ( -0.212 -4.409 0.125) 4.416 7.820 ( -0.484 -4.181 -0.135) 4.211 ======================= Grid point 23 (15/108) ======================= q-point: ( 0.29 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 8.278 7.543 3.179) 11.641 0.836 ( 2.505 8.425 -0.720) 8.819 0.990 ( 2.164 3.742 -1.517) 4.581 1.104 ( 1.404 4.592 -1.993) 5.199 1.253 ( -3.591 2.480 0.144) 4.366 1.307 ( -1.026 -1.443 -0.304) 1.796 1.340 ( -1.506 1.533 0.410) 2.187 1.414 ( -2.889 3.032 0.366) 4.204 1.512 ( -4.906 3.451 -1.206) 6.118 1.547 ( -6.666 1.832 -1.392) 7.052 1.769 ( -1.462 -5.073 0.620) 5.316 1.844 ( 0.701 -1.373 1.119) 1.905 1.990 ( 4.003 -1.375 0.399) 4.251 2.010 ( -0.128 -2.497 0.708) 2.598 2.170 ( 1.114 -4.658 -0.345) 4.802 2.273 ( 2.977 -4.922 0.974) 5.834 2.560 ( 0.508 3.835 0.130) 3.871 2.631 ( 1.942 3.035 -0.151) 3.606 2.755 ( -6.142 -0.999 -0.303) 6.230 2.871 ( -4.329 -0.508 -0.032) 4.359 3.451 ( 0.824 2.899 -0.153) 3.018 3.495 ( 2.368 3.189 0.397) 3.992 3.652 ( -0.939 -4.858 -0.326) 4.959 3.706 ( -0.041 -5.605 0.032) 5.606 4.476 ( 5.354 4.493 3.272) 7.718 4.556 ( -0.814 3.820 -4.485) 5.948 4.674 ( -1.249 -0.923 0.317) 1.585 4.794 ( -0.440 -1.421 1.212) 1.919 5.037 ( -2.157 0.020 0.513) 2.217 5.081 ( -0.947 2.574 -0.948) 2.902 5.178 ( -0.729 -1.119 1.965) 2.376 5.219 ( 2.737 -0.394 -0.738) 2.862 5.360 ( 1.717 -0.523 1.361) 2.253 5.380 ( 0.044 -0.559 -2.147) 2.219 5.491 ( -2.110 -1.927 0.452) 2.893 5.546 ( -2.200 -1.782 -0.434) 2.864 5.861 ( -0.720 3.229 -0.521) 3.349 5.881 ( -0.066 4.567 0.587) 4.605 5.938 ( 0.204 1.825 -0.374) 1.874 5.949 ( -1.209 2.370 0.005) 2.660 6.133 ( -0.824 0.202 0.258) 0.887 6.160 ( 1.683 -0.082 -0.140) 1.691 6.329 ( 0.293 -2.245 0.214) 2.274 6.356 ( 0.520 -1.938 -0.160) 2.013 7.392 ( 0.858 2.901 -0.043) 3.025 7.413 ( 0.988 3.042 0.059) 3.199 7.807 ( -0.579 -4.004 -0.143) 4.048 7.811 ( -0.318 -4.239 0.131) 4.253 ======================= Grid point 24 (16/108) ======================= q-point: ( 0.43 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 2.995 6.184 -1.044) 6.950 0.980 ( 5.660 2.884 0.210) 6.356 1.050 ( 3.873 0.705 1.498) 4.212 1.137 ( -1.965 0.835 1.137) 2.419 1.193 ( 3.398 2.454 -2.522) 4.892 1.251 ( -3.093 1.605 0.309) 3.499 1.312 ( -6.025 1.758 -0.451) 6.292 1.344 ( -1.005 0.531 0.787) 1.383 1.408 ( -3.643 5.070 -2.022) 6.563 1.465 ( -2.090 3.467 0.478) 4.076 1.753 ( -0.609 -6.938 0.476) 6.981 1.888 ( 2.133 -3.826 1.726) 4.708 1.960 ( -2.270 -2.526 -1.425) 3.683 2.098 ( 4.154 -2.716 1.588) 5.211 2.163 ( -1.531 -4.285 -0.929) 4.644 2.318 ( 1.097 -6.008 0.483) 6.126 2.581 ( 2.019 2.697 -0.116) 3.371 2.648 ( -3.577 1.946 -0.958) 4.183 2.670 ( 0.632 1.121 0.796) 1.513 2.800 ( -2.676 1.598 -0.139) 3.120 3.467 ( 0.664 3.074 0.025) 3.145 3.532 ( 1.145 3.094 0.094) 3.300 3.633 ( -0.622 -5.647 -0.142) 5.683 3.705 ( -0.133 -7.007 0.103) 7.009 4.508 ( -0.731 4.155 -1.720) 4.556 4.593 ( 3.717 1.992 1.611) 4.514 4.666 ( -0.030 0.447 0.247) 0.512 4.774 ( -1.723 1.628 -0.244) 2.383 5.009 ( -1.149 0.291 0.393) 1.249 5.064 ( -0.160 2.823 -0.394) 2.854 5.180 ( -0.436 -1.693 0.935) 1.982 5.254 ( 1.297 -0.730 -0.486) 1.565 5.369 ( 0.573 -1.236 -1.126) 1.768 5.404 ( 1.350 0.693 0.991) 1.812 5.457 ( -1.632 -2.796 0.352) 3.257 5.503 ( -1.551 -2.104 -0.588) 2.679 5.849 ( -0.218 3.015 -0.209) 3.030 5.885 ( 0.037 4.796 0.316) 4.806 5.918 ( -0.717 2.508 -0.394) 2.638 5.949 ( 0.087 1.868 0.150) 1.876 6.125 ( -0.283 0.165 0.120) 0.349 6.185 ( 0.863 -0.729 -0.005) 1.130 6.326 ( -0.281 -1.861 -0.072) 1.884 6.369 ( 0.472 -1.560 0.068) 1.632 7.400 ( 0.258 2.818 -0.152) 2.834 7.431 ( 0.574 2.938 0.153) 2.997 7.797 ( -0.279 -3.760 -0.078) 3.771 7.808 ( -0.132 -4.210 0.074) 4.213 ======================= Grid point 28 (17/108) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 12.329 0.000) 12.329 1.076 ( 0.000 2.687 0.000) 2.687 1.169 ( 0.000 6.040 0.000) 6.040 1.258 ( 0.000 5.419 0.000) 5.419 1.300 ( 0.000 4.574 0.000) 4.574 1.311 ( 0.000 3.619 0.000) 3.619 1.360 ( 0.000 -0.800 0.000) 0.800 1.454 ( 0.000 -8.390 0.000) 8.390 1.689 ( 0.000 2.219 0.000) 2.219 1.699 ( 0.000 0.475 0.000) 0.475 1.805 ( 0.000 0.083 0.000) 0.083 1.841 ( 0.000 -2.882 0.000) 2.882 1.927 ( 0.000 -1.030 0.000) 1.030 1.936 ( 0.000 3.999 0.000) 3.999 2.078 ( 0.000 -4.494 0.000) 4.494 2.095 ( 0.000 -1.965 0.000) 1.965 2.631 ( 0.000 5.882 0.000) 5.882 2.698 ( 0.000 4.635 0.000) 4.635 2.862 ( 0.000 -2.649 0.000) 2.649 2.928 ( 0.000 -1.928 0.000) 1.928 3.470 ( 0.000 2.809 0.000) 2.809 3.543 ( 0.000 3.479 0.000) 3.479 3.589 ( 0.000 -2.901 0.000) 2.901 3.646 ( 0.000 -2.651 0.000) 2.651 4.440 ( 0.000 5.829 0.000) 5.829 4.620 ( 0.000 -0.232 0.000) 0.232 4.671 ( 0.000 -3.287 0.000) 3.287 4.709 ( 0.000 -3.388 0.000) 3.388 5.072 ( 0.000 -0.203 0.000) 0.203 5.107 ( 0.000 -0.986 0.000) 0.986 5.173 ( 0.000 2.775 0.000) 2.775 5.242 ( 0.000 1.904 0.000) 1.904 5.297 ( 0.000 1.649 0.000) 1.649 5.425 ( 0.000 1.068 0.000) 1.068 5.498 ( 0.000 -2.260 0.000) 2.260 5.551 ( 0.000 -2.710 0.000) 2.710 5.950 ( 0.000 2.677 0.000) 2.677 5.956 ( 0.000 2.007 0.000) 2.007 5.966 ( 0.000 4.010 0.000) 4.010 6.017 ( 0.000 1.543 0.000) 1.543 6.137 ( 0.000 0.718 0.000) 0.718 6.169 ( 0.000 0.127 0.000) 0.127 6.240 ( 0.000 -2.656 0.000) 2.656 6.296 ( 0.000 -3.809 0.000) 3.809 7.428 ( 0.000 4.177 0.000) 4.177 7.466 ( 0.000 3.867 0.000) 3.867 7.721 ( 0.000 -5.228 0.000) 5.228 7.736 ( 0.000 -4.978 0.000) 4.978 ======================= Grid point 29 (18/108) ======================= q-point: ( 0.14 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 4.137 10.724 2.694) 11.805 1.035 ( -2.159 3.866 -4.366) 6.219 1.113 ( -2.645 9.079 1.052) 9.515 1.235 ( -3.654 2.236 -0.056) 4.284 1.298 ( -0.865 0.916 -0.597) 1.394 1.344 ( 0.630 3.717 1.201) 3.956 1.365 ( 1.016 -0.109 1.000) 1.430 1.446 ( -0.738 -4.603 -0.432) 4.682 1.632 ( -3.420 2.900 2.207) 4.998 1.717 ( -2.869 0.257 -1.780) 3.386 1.736 ( -3.215 -0.864 -0.781) 3.420 1.854 ( -2.507 -1.415 1.709) 3.348 1.898 ( 2.337 0.669 -1.822) 3.037 1.977 ( 0.655 0.101 1.344) 1.498 2.064 ( -0.642 -4.166 0.760) 4.284 2.126 ( 2.511 -4.091 -0.640) 4.843 2.635 ( -0.124 4.932 0.666) 4.979 2.689 ( -0.277 4.142 -0.901) 4.248 2.823 ( -3.793 -2.134 -0.350) 4.366 2.904 ( -2.466 -1.975 0.035) 3.160 3.483 ( 0.784 2.181 0.343) 2.343 3.525 ( -0.708 2.366 -0.142) 2.474 3.599 ( 0.101 -2.021 0.239) 2.038 3.636 ( -0.718 -3.036 -0.618) 3.181 4.476 ( 3.062 5.429 1.485) 6.408 4.622 ( 0.881 0.302 -1.638) 1.884 4.668 ( -0.407 -1.992 -0.506) 2.095 4.723 ( 1.636 -3.040 0.710) 3.524 5.070 ( -0.026 -0.096 -1.351) 1.355 5.093 ( -1.564 -0.388 1.829) 2.438 5.192 ( 1.841 1.763 -0.497) 2.597 5.224 ( -1.918 1.800 0.571) 2.692 5.312 ( 1.056 1.076 0.898) 1.755 5.410 ( -1.045 0.849 -0.961) 1.654 5.486 ( -1.402 -2.257 0.211) 2.665 5.539 ( -1.247 -2.619 -0.102) 2.902 5.942 ( -0.689 2.735 -0.494) 2.864 5.956 ( -0.114 2.776 0.387) 2.805 5.971 ( 0.394 3.055 0.081) 3.082 6.010 ( -0.514 1.723 -0.486) 1.863 6.143 ( 0.784 0.535 -0.235) 0.978 6.156 ( -1.012 0.382 0.221) 1.104 6.260 ( 1.322 -2.597 0.550) 2.966 6.298 ( 0.466 -3.547 -0.461) 3.607 7.438 ( 0.845 4.026 0.267) 4.122 7.468 ( 0.327 3.824 -0.238) 3.845 7.721 ( -0.051 -5.123 0.098) 5.125 7.733 ( -0.257 -4.845 -0.111) 4.853 ======================= Grid point 30 (19/108) ======================= q-point: ( 0.29 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 1.847 5.163 -0.459) 5.503 1.005 ( 3.871 8.508 0.634) 9.368 1.095 ( -0.380 7.230 0.548) 7.261 1.169 ( -2.918 0.118 -0.104) 2.922 1.258 ( -2.358 1.234 -1.070) 2.868 1.323 ( -1.855 1.045 -0.073) 2.130 1.370 ( -2.146 1.295 0.576) 2.572 1.450 ( 1.329 1.017 0.392) 1.719 1.587 ( -6.121 3.082 -2.531) 7.305 1.605 ( -3.179 4.752 2.244) 6.142 1.677 ( -3.764 -3.872 0.300) 5.408 1.812 ( -2.403 -1.674 1.386) 3.240 1.953 ( 3.351 -2.770 -0.622) 4.392 1.969 ( -1.580 -1.343 0.317) 2.098 2.072 ( 0.485 -5.322 0.284) 5.352 2.162 ( 1.604 -6.355 -0.208) 6.558 2.629 ( -0.661 3.155 -0.123) 3.226 2.687 ( 0.590 2.960 0.038) 3.019 2.738 ( -4.503 -0.931 -0.342) 4.611 2.849 ( -3.115 -1.716 -0.069) 3.557 3.489 ( 0.326 1.176 -0.116) 1.226 3.536 ( 1.213 0.970 0.164) 1.562 3.585 ( -1.636 -2.084 0.274) 2.663 3.617 ( -0.831 -3.520 -0.439) 3.644 4.563 ( 4.327 4.338 1.829) 6.395 4.609 ( -0.267 1.865 -2.885) 3.446 4.665 ( 0.696 -0.027 -0.208) 0.727 4.769 ( 1.954 -1.494 0.962) 2.641 5.042 ( -1.820 0.533 -0.155) 1.903 5.097 ( 0.647 -0.865 0.412) 1.156 5.187 ( -2.476 1.911 0.755) 3.218 5.224 ( 1.727 0.631 -0.231) 1.853 5.347 ( 1.583 -0.427 1.210) 2.038 5.378 ( -1.085 0.444 -1.287) 1.741 5.452 ( -2.501 -2.198 0.428) 3.357 5.506 ( -1.949 -2.305 -0.415) 3.047 5.922 ( -0.781 2.878 -0.578) 3.038 5.959 ( 0.018 2.274 0.316) 2.295 5.977 ( 0.246 3.112 -0.158) 3.126 5.993 ( -0.772 2.174 -0.196) 2.315 6.144 ( -0.541 1.135 0.388) 1.316 6.159 ( 1.033 0.079 -0.197) 1.054 6.281 ( 0.389 -2.747 0.259) 2.786 6.310 ( 1.248 -2.871 -0.288) 3.144 7.456 ( 0.675 3.740 -0.036) 3.800 7.477 ( 0.807 3.670 0.051) 3.758 7.721 ( -0.075 -4.882 0.124) 4.884 7.726 ( -0.340 -4.551 -0.138) 4.566 ======================= Grid point 31 (20/108) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 2.317 2.347 -0.998) 3.446 1.075 ( 1.459 6.493 -0.171) 6.657 1.101 ( -0.405 2.668 1.401) 3.041 1.133 ( -1.850 1.489 0.114) 2.378 1.245 ( 3.646 3.445 -0.238) 5.022 1.294 ( -1.605 1.054 1.094) 2.210 1.335 ( -1.700 0.871 -0.206) 1.921 1.415 ( -5.107 6.343 -1.851) 8.351 1.510 ( 1.226 4.344 -0.925) 4.608 1.570 ( -2.298 6.773 1.456) 7.299 1.622 ( -2.379 -5.886 0.595) 6.377 1.805 ( -0.009 -3.777 1.358) 4.013 1.922 ( -1.541 -1.723 -1.449) 2.728 2.015 ( 2.033 -5.882 0.914) 6.291 2.072 ( -0.466 -5.174 -0.375) 5.208 2.179 ( 0.425 -8.310 -0.077) 8.321 2.619 ( 0.005 1.567 -0.412) 1.620 2.670 ( -2.351 0.591 0.338) 2.447 2.702 ( 0.563 1.729 -0.025) 1.819 2.804 ( -1.435 -0.953 -0.057) 1.723 3.503 ( 0.892 0.515 0.113) 1.036 3.545 ( -0.417 -2.714 -0.672) 2.827 3.569 ( 0.099 -0.098 0.617) 0.633 3.596 ( -1.040 -3.720 -0.064) 3.863 4.580 ( -0.372 3.363 -1.273) 3.615 4.644 ( 2.418 3.187 0.900) 4.100 4.678 ( 0.615 0.845 -0.215) 1.066 4.798 ( 0.493 0.554 0.325) 0.810 5.013 ( -1.033 0.468 0.108) 1.140 5.118 ( 1.756 -0.682 -0.748) 2.027 5.149 ( -2.495 1.548 1.232) 3.184 5.250 ( 1.092 0.021 -0.236) 1.117 5.349 ( -0.537 -0.518 -0.483) 0.888 5.393 ( 1.494 -1.817 0.236) 2.364 5.416 ( -1.130 -1.202 0.997) 1.927 5.463 ( -2.001 -2.058 -0.790) 2.978 5.908 ( -0.263 2.958 -0.206) 2.977 5.956 ( -0.236 1.376 -0.274) 1.423 5.978 ( 0.018 4.235 0.173) 4.238 5.986 ( -0.125 2.019 0.044) 2.024 6.141 ( -0.129 1.705 0.168) 1.718 6.173 ( 0.477 -0.328 -0.031) 0.580 6.285 ( 0.062 -2.430 -0.041) 2.431 6.328 ( 0.582 -2.725 -0.004) 2.786 7.462 ( 0.194 3.619 -0.130) 3.627 7.492 ( 0.476 3.434 0.130) 3.470 7.720 ( -0.159 -4.408 -0.057) 4.411 7.720 ( -0.039 -4.593 0.051) 4.593 ======================= Grid point 35 (21/108) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 11.597 0.000) 11.597 1.147 ( 0.000 4.910 0.000) 4.910 1.229 ( 0.000 -5.663 0.000) 5.663 1.247 ( 0.000 -3.777 0.000) 3.777 1.295 ( 0.000 -3.910 0.000) 3.910 1.300 ( 0.000 -0.040 0.000) 0.040 1.387 ( 0.000 3.264 0.000) 3.264 1.405 ( 0.000 1.448 0.000) 1.448 1.711 ( 0.000 0.710 0.000) 0.710 1.717 ( 0.000 0.443 0.000) 0.443 1.799 ( 0.000 -0.506 0.000) 0.506 1.801 ( 0.000 -1.017 0.000) 1.017 1.937 ( 0.000 1.939 0.000) 1.939 1.989 ( 0.000 -1.812 0.000) 1.812 2.012 ( 0.000 0.930 0.000) 0.930 2.055 ( 0.000 -2.204 0.000) 2.204 2.738 ( 0.000 4.859 0.000) 4.859 2.788 ( 0.000 4.743 0.000) 4.743 2.811 ( 0.000 -2.944 0.000) 2.944 2.874 ( 0.000 -3.861 0.000) 3.861 3.516 ( 0.000 2.017 0.000) 2.017 3.549 ( 0.000 -1.620 0.000) 1.620 3.592 ( 0.000 1.568 0.000) 1.568 3.612 ( 0.000 -1.029 0.000) 1.029 4.535 ( 0.000 4.186 0.000) 4.186 4.606 ( 0.000 -3.409 0.000) 3.409 4.618 ( 0.000 0.486 0.000) 0.486 4.648 ( 0.000 -2.592 0.000) 2.592 5.076 ( 0.000 0.472 0.000) 0.472 5.089 ( 0.000 -0.851 0.000) 0.851 5.225 ( 0.000 2.447 0.000) 2.447 5.257 ( 0.000 -0.572 0.000) 0.572 5.360 ( 0.000 4.416 0.000) 4.416 5.441 ( 0.000 -3.642 0.000) 3.642 5.451 ( 0.000 1.718 0.000) 1.718 5.495 ( 0.000 -2.855 0.000) 2.855 5.986 ( 0.000 0.949 0.000) 0.949 5.987 ( 0.000 0.962 0.000) 0.962 6.030 ( 0.000 2.222 0.000) 2.222 6.042 ( 0.000 0.725 0.000) 0.725 6.160 ( 0.000 1.979 0.000) 1.979 6.172 ( 0.000 0.554 0.000) 0.554 6.195 ( 0.000 -1.965 0.000) 1.965 6.220 ( 0.000 -3.880 0.000) 3.880 7.517 ( 0.000 5.012 0.000) 5.012 7.547 ( 0.000 4.533 0.000) 4.533 7.618 ( 0.000 -5.417 0.000) 5.417 7.639 ( 0.000 -4.997 0.000) 4.997 ======================= Grid point 36 (22/108) ======================= q-point: ( 0.14 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.615 9.227 1.157) 9.319 1.119 ( -0.326 5.231 -2.198) 5.684 1.190 ( -3.744 -4.735 -1.229) 6.160 1.246 ( 0.044 -5.885 0.377) 5.897 1.266 ( -0.447 5.473 1.116) 5.603 1.362 ( 1.510 -4.036 1.494) 4.561 1.386 ( -1.713 2.243 0.642) 2.894 1.401 ( 0.232 1.077 1.966) 2.253 1.677 ( -2.815 1.556 0.883) 3.336 1.700 ( -2.147 -1.019 -0.643) 2.462 1.757 ( -3.033 2.220 -0.701) 3.823 1.809 ( -0.902 -2.811 1.232) 3.199 1.922 ( -0.549 2.137 -1.684) 2.776 1.984 ( -0.634 -3.915 -0.330) 3.980 2.005 ( -0.883 2.205 0.542) 2.436 2.057 ( 0.062 -3.094 -0.078) 3.096 2.721 ( -1.807 3.760 -0.044) 4.172 2.768 ( -1.145 2.618 -1.793) 3.373 2.784 ( -2.980 -0.592 0.952) 3.184 2.853 ( -2.113 -3.543 -0.113) 4.127 3.520 ( -0.065 1.762 0.463) 1.823 3.544 ( -0.650 -0.333 0.642) 0.972 3.585 ( -0.477 0.006 -0.487) 0.682 3.593 ( -1.528 -1.255 -0.780) 2.125 4.566 ( 2.735 3.874 0.661) 4.788 4.622 ( 1.183 -1.389 -0.749) 1.972 4.635 ( 2.104 -0.157 -0.141) 2.115 4.666 ( 2.283 -2.690 -0.064) 3.529 5.074 ( -0.216 0.396 -0.248) 0.515 5.083 ( -0.907 -0.554 0.786) 1.322 5.225 ( 0.039 1.555 0.086) 1.557 5.243 ( -1.302 -0.049 0.093) 1.306 5.361 ( -0.219 3.570 0.438) 3.604 5.424 ( -1.503 -1.509 -0.230) 2.142 5.443 ( -1.015 0.082 0.085) 1.022 5.484 ( -1.113 -2.854 0.048) 3.064 5.980 ( -0.594 1.129 -0.276) 1.305 5.984 ( -0.306 0.655 0.122) 0.734 6.028 ( -0.006 1.936 -0.075) 1.937 6.037 ( -0.304 0.759 -0.387) 0.905 6.163 ( 0.549 1.808 -0.335) 1.919 6.172 ( 0.202 1.418 0.032) 1.433 6.211 ( 0.787 -2.376 0.801) 2.628 6.227 ( 1.079 -3.586 -0.514) 3.780 7.524 ( 0.543 4.811 0.183) 4.845 7.548 ( 0.187 4.472 -0.176) 4.479 7.621 ( 0.211 -5.236 0.118) 5.241 7.638 ( -0.013 -4.900 -0.118) 4.902 ======================= Grid point 37 (23/108) ======================= q-point: ( 0.29 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -1.330 4.101 -0.788) 4.382 1.111 ( -2.902 -3.362 -0.610) 4.483 1.160 ( 3.256 6.495 1.138) 7.355 1.236 ( -0.824 4.524 0.565) 4.633 1.277 ( -0.238 -0.441 1.693) 1.766 1.342 ( -2.081 0.319 -0.301) 2.126 1.374 ( -2.039 0.593 0.466) 2.174 1.432 ( 1.280 -3.003 1.229) 3.488 1.639 ( -2.665 1.182 -0.450) 2.950 1.640 ( -3.389 -0.114 0.128) 3.394 1.696 ( -2.138 5.300 1.328) 5.867 1.786 ( -2.872 -2.504 1.651) 4.152 1.901 ( 0.230 -0.262 -1.862) 1.895 1.957 ( -0.995 -3.051 -2.215) 3.899 1.988 ( -1.578 -0.288 0.665) 1.737 2.047 ( -1.214 -5.003 0.088) 5.149 2.680 ( -2.063 2.221 -0.401) 3.058 2.715 ( -2.980 -1.456 -0.575) 3.366 2.748 ( -1.397 3.213 0.423) 3.529 2.806 ( -2.511 -2.746 0.045) 3.722 3.510 ( -0.871 1.407 -0.151) 1.661 3.546 ( -0.427 -1.358 0.627) 1.556 3.550 ( -1.594 0.027 -0.683) 1.734 3.573 ( -0.633 -1.449 -0.073) 1.583 4.628 ( 2.476 1.798 0.146) 3.064 4.634 ( 1.443 0.755 -0.916) 1.868 4.679 ( 2.977 1.868 -0.407) 3.539 4.728 ( 3.772 -2.664 0.319) 4.629 5.056 ( -1.437 0.917 -0.052) 1.706 5.076 ( -0.608 -1.099 0.688) 1.432 5.218 ( -1.341 1.080 0.341) 1.755 5.231 ( 0.477 -0.141 0.032) 0.498 5.358 ( -0.504 1.608 0.413) 1.735 5.392 ( -1.594 -0.487 -0.236) 1.684 5.417 ( -1.776 0.200 0.314) 1.815 5.458 ( -1.715 -2.666 -0.031) 3.170 5.964 ( -0.668 1.420 -0.428) 1.626 5.976 ( -0.455 0.072 -0.185) 0.497 6.027 ( -0.335 1.253 -0.165) 1.307 6.030 ( 0.036 1.300 0.105) 1.305 6.174 ( 0.728 1.674 -0.052) 1.826 6.181 ( 0.553 2.507 0.251) 2.579 6.227 ( 0.575 -2.627 0.054) 2.690 6.249 ( 1.371 -3.389 -0.247) 3.665 7.535 ( 0.423 4.469 -0.010) 4.489 7.553 ( 0.495 4.216 0.001) 4.245 7.625 ( 0.157 -4.938 0.066) 4.940 7.638 ( 0.072 -4.564 -0.068) 4.565 ======================= Grid point 38 (24/108) ======================= q-point: ( 0.43 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.087 2.283 -0.336) 2.310 1.066 ( -1.373 -2.677 -0.040) 3.009 1.204 ( 0.274 6.418 0.116) 6.424 1.260 ( 1.977 6.486 1.473) 6.938 1.289 ( 0.333 -1.314 1.277) 1.862 1.306 ( -0.904 2.662 -1.300) 3.097 1.331 ( -2.021 -0.935 0.244) 2.240 1.447 ( -0.192 -7.779 0.092) 7.782 1.552 ( -3.429 6.962 -1.100) 7.838 1.616 ( 0.125 1.379 -0.357) 1.430 1.702 ( -1.263 5.551 2.357) 6.161 1.766 ( 0.394 -1.033 1.569) 1.919 1.898 ( 0.807 -2.080 -3.135) 3.848 1.912 ( -1.962 -0.778 0.635) 2.204 1.970 ( 0.036 -4.673 -0.835) 4.747 2.017 ( -1.794 -7.568 0.362) 7.786 2.648 ( -0.882 1.429 -0.293) 1.705 2.669 ( -1.368 -0.642 -0.057) 1.512 2.735 ( -0.379 1.857 0.281) 1.916 2.773 ( -1.006 -1.982 0.120) 2.226 3.499 ( -0.073 -0.076 -0.149) 0.183 3.512 ( -1.210 -1.151 -0.402) 1.717 3.552 ( 0.008 -0.216 0.105) 0.241 3.564 ( -0.318 -1.069 0.296) 1.154 4.637 ( 0.385 2.401 -0.616) 2.508 4.668 ( 1.006 -0.689 -0.063) 1.222 4.728 ( 1.897 3.738 -0.028) 4.192 4.786 ( 1.767 -1.932 0.138) 2.622 5.031 ( -0.996 1.472 0.060) 1.779 5.071 ( -0.336 -2.598 0.229) 2.629 5.203 ( -0.492 2.577 0.171) 2.630 5.241 ( 0.451 -1.224 0.037) 1.305 5.352 ( -0.340 0.709 0.071) 0.789 5.368 ( -0.675 -0.674 -0.059) 0.956 5.399 ( -0.143 -0.043 0.539) 0.559 5.423 ( -1.689 -1.981 -0.324) 2.624 5.953 ( -0.220 1.552 -0.158) 1.576 5.968 ( -0.209 -0.073 -0.162) 0.275 6.021 ( -0.184 1.460 -0.024) 1.472 6.031 ( -0.025 0.888 0.049) 0.889 6.185 ( 0.398 1.785 0.004) 1.829 6.192 ( 0.272 3.414 0.306) 3.438 6.234 ( 0.272 -2.719 -0.191) 2.739 6.265 ( 0.522 -3.699 -0.076) 3.736 7.538 ( 0.109 4.333 -0.086) 4.335 7.562 ( 0.305 3.862 0.077) 3.875 7.627 ( 0.008 -4.818 -0.022) 4.818 7.639 ( 0.085 -4.164 0.021) 4.165 ======================= Grid point 77 (25/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.164 ( 4.567 0.000 8.312) 9.485 0.279 ( 10.968 0.000 12.557) 16.673 0.319 ( -11.821 0.000 15.365) 19.386 0.642 ( 0.425 0.000 2.081) 2.124 0.777 ( 1.810 0.000 -1.480) 2.338 1.124 ( -1.414 0.000 -4.660) 4.869 1.216 ( -0.887 0.000 -1.312) 1.584 1.284 ( -1.610 0.000 -3.408) 3.769 1.611 ( 0.407 0.000 0.305) 0.509 1.624 ( 0.356 0.000 -0.665) 0.754 1.804 ( 0.240 0.000 0.982) 1.010 1.862 ( 6.798 0.000 -0.388) 6.809 1.994 ( 3.618 0.000 -0.388) 3.639 2.088 ( -8.930 0.000 -4.006) 9.787 2.250 ( 3.223 0.000 3.023) 4.418 2.293 ( -3.330 0.000 1.379) 3.604 2.487 ( 0.396 0.000 0.336) 0.520 2.533 ( -0.932 0.000 -0.533) 1.074 3.033 ( -1.619 0.000 0.237) 1.636 3.063 ( 2.181 0.000 -0.474) 2.232 3.291 ( 2.511 0.000 0.178) 2.517 3.294 ( -2.642 0.000 0.096) 2.644 3.856 ( 0.347 0.000 0.774) 0.848 3.894 ( 0.417 0.000 -0.365) 0.555 4.143 ( 2.364 0.000 0.977) 2.558 4.323 ( -4.038 0.000 -3.750) 5.511 4.846 ( -0.142 0.000 2.918) 2.922 4.899 ( 8.015 0.000 0.655) 8.041 5.096 ( -1.389 0.000 -0.126) 1.395 5.153 ( 1.887 0.000 -0.283) 1.908 5.182 ( 2.207 0.000 0.017) 2.207 5.188 ( -1.148 0.000 -0.905) 1.461 5.382 ( -0.356 0.000 0.962) 1.025 5.453 ( -0.173 0.000 -0.770) 0.789 5.596 ( 0.708 0.000 0.523) 0.881 5.619 ( -4.619 0.000 0.003) 4.619 5.701 ( 0.043 0.000 0.342) 0.345 5.738 ( -0.417 0.000 -0.604) 0.734 5.914 ( 0.123 0.000 0.322) 0.345 5.938 ( -2.388 0.000 -0.214) 2.397 6.082 ( 0.533 0.000 -0.078) 0.539 6.099 ( -0.332 0.000 -0.457) 0.565 6.413 ( 0.212 0.000 0.261) 0.336 6.430 ( 1.675 0.000 -0.138) 1.680 7.276 ( 0.160 0.000 0.165) 0.230 7.291 ( -0.177 0.000 -0.210) 0.275 7.953 ( 0.153 0.000 0.045) 0.159 7.956 ( -0.149 0.000 -0.038) 0.154 ======================= Grid point 78 (26/108) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 4.067 0.000 10.197) 10.978 0.478 ( 16.871 0.000 2.763) 17.096 0.642 ( 15.927 0.000 -2.346) 16.098 0.861 ( 18.162 0.000 10.235) 20.847 0.933 ( 13.015 0.000 -3.772) 13.550 1.021 ( -1.933 0.000 -4.008) 4.450 1.213 ( 1.139 0.000 -0.781) 1.381 1.262 ( 2.262 0.000 -3.085) 3.825 1.561 ( -5.853 0.000 -0.557) 5.880 1.564 ( -5.812 0.000 -0.033) 5.812 1.842 ( 2.549 0.000 0.413) 2.582 1.936 ( -1.178 0.000 -2.945) 3.171 1.982 ( 3.318 0.000 -3.112) 4.549 2.081 ( 4.302 0.000 2.070) 4.774 2.253 ( -1.029 0.000 -0.619) 1.201 2.346 ( 3.955 0.000 3.131) 5.045 2.494 ( -0.181 0.000 0.710) 0.733 2.502 ( -1.670 0.000 -0.463) 1.733 2.945 ( -6.855 0.000 -0.282) 6.861 3.005 ( -8.651 0.000 0.431) 8.662 3.272 ( 1.327 0.000 -1.371) 1.908 3.348 ( 1.994 0.000 1.141) 2.297 3.886 ( 1.960 0.000 0.114) 1.963 3.916 ( 2.058 0.000 -0.403) 2.097 4.228 ( -1.233 0.000 -5.445) 5.583 4.250 ( 6.612 0.000 3.957) 7.706 4.823 ( -4.108 0.000 1.391) 4.337 4.927 ( -2.922 0.000 -1.433) 3.254 5.079 ( -0.275 0.000 -0.080) 0.286 5.102 ( -4.323 0.000 1.605) 4.611 5.202 ( -0.626 0.000 0.998) 1.178 5.210 ( 3.324 0.000 -1.801) 3.781 5.383 ( -0.273 0.000 0.768) 0.815 5.408 ( -3.143 0.000 -0.577) 3.195 5.592 ( -0.532 0.000 -0.057) 0.535 5.608 ( -0.141 0.000 1.023) 1.033 5.719 ( 1.269 0.000 0.607) 1.407 5.739 ( 1.369 0.000 -0.648) 1.515 5.888 ( -2.484 0.000 0.832) 2.619 5.901 ( -1.826 0.000 0.601) 1.922 6.104 ( 1.593 0.000 0.447) 1.655 6.112 ( 2.039 0.000 -0.843) 2.207 6.415 ( -0.333 0.000 0.362) 0.492 6.428 ( -0.877 0.000 -0.620) 1.074 7.291 ( 1.153 0.000 0.279) 1.186 7.292 ( 0.552 0.000 -0.327) 0.641 7.947 ( -0.744 0.000 -0.115) 0.753 7.952 ( -0.283 0.000 0.127) 0.310 ======================= Grid point 79 (27/108) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 8.960 0.000 6.012) 10.790 0.701 ( 5.197 0.000 -4.497) 6.873 0.880 ( 13.075 0.000 -2.216) 13.261 0.955 ( 6.910 0.000 -0.656) 6.941 1.204 ( -2.491 0.000 3.735) 4.490 1.235 ( 12.398 0.000 -0.837) 12.427 1.273 ( 9.489 0.000 0.680) 9.513 1.289 ( 2.206 0.000 -1.958) 2.949 1.446 ( -3.412 0.000 -0.017) 3.412 1.486 ( 5.446 0.000 1.271) 5.592 1.885 ( 1.681 0.000 -0.079) 1.683 1.898 ( -0.655 0.000 -1.298) 1.454 2.014 ( 2.153 0.000 -2.252) 3.115 2.149 ( -0.078 0.000 2.271) 2.273 2.256 ( 2.371 0.000 -1.075) 2.604 2.436 ( 2.711 0.000 2.511) 3.695 2.467 ( -1.213 0.000 -1.173) 1.687 2.494 ( -0.453 0.000 0.661) 0.802 2.786 ( -14.330 0.000 -0.115) 14.330 2.803 ( -7.780 0.000 -0.268) 7.784 3.299 ( 2.143 0.000 -0.815) 2.292 3.371 ( -0.206 0.000 0.628) 0.661 3.924 ( 2.110 0.000 -0.077) 2.112 3.951 ( 2.063 0.000 -0.658) 2.165 4.202 ( 2.737 0.000 -3.557) 4.488 4.432 ( 8.213 0.000 5.050) 9.641 4.744 ( -4.589 0.000 0.583) 4.626 4.813 ( -7.017 0.000 -2.601) 7.483 5.050 ( -2.601 0.000 0.683) 2.689 5.079 ( -0.134 0.000 0.156) 0.206 5.184 ( -1.721 0.000 0.923) 1.953 5.258 ( 3.308 0.000 -2.172) 3.957 5.350 ( -2.545 0.000 0.273) 2.560 5.385 ( -0.128 0.000 0.439) 0.457 5.572 ( -0.974 0.000 -0.447) 1.072 5.607 ( -0.866 0.000 0.867) 1.225 5.750 ( 1.505 0.000 0.450) 1.570 5.759 ( 0.745 0.000 -0.507) 0.901 5.861 ( -0.940 0.000 0.335) 0.997 5.865 ( -2.447 0.000 0.399) 2.479 6.143 ( 1.797 0.000 0.821) 1.976 6.147 ( 2.420 0.000 -0.906) 2.584 6.401 ( -1.207 0.000 -0.590) 1.344 6.409 ( -0.565 0.000 0.348) 0.663 7.304 ( 0.879 0.000 -0.194) 0.900 7.317 ( 1.260 0.000 0.175) 1.272 7.931 ( -0.804 0.000 -0.053) 0.805 7.946 ( -0.492 0.000 0.059) 0.496 ======================= Grid point 80 (28/108) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 3.409 0.000 0.532) 3.450 0.785 ( 9.055 0.000 3.367) 9.661 1.030 ( -3.971 0.000 0.334) 3.985 1.114 ( 5.395 0.000 0.030) 5.395 1.115 ( 1.034 0.000 0.236) 1.060 1.261 ( -0.549 0.000 -3.795) 3.835 1.291 ( -1.563 0.000 0.734) 1.727 1.293 ( -0.161 0.000 -0.101) 0.190 1.548 ( 6.019 0.000 2.670) 6.585 1.764 ( 12.325 0.000 -0.696) 12.345 1.887 ( 0.260 0.000 0.118) 0.285 1.904 ( 1.245 0.000 -0.867) 1.517 2.016 ( -0.380 0.000 -1.399) 1.449 2.118 ( -3.193 0.000 -0.841) 3.301 2.300 ( 1.880 0.000 0.711) 2.010 2.432 ( -1.292 0.000 -1.706) 2.140 2.487 ( 0.745 0.000 1.240) 1.447 2.491 ( -0.334 0.000 0.394) 0.517 2.540 ( -9.427 0.000 1.177) 9.501 2.681 ( -4.038 0.000 -0.932) 4.144 3.327 ( 1.253 0.000 -0.170) 1.265 3.363 ( -0.702 0.000 -0.036) 0.703 3.957 ( 1.139 0.000 0.465) 1.230 3.979 ( 1.235 0.000 0.005) 1.235 4.255 ( 4.538 0.000 -0.379) 4.554 4.609 ( 2.005 0.000 1.319) 2.400 4.648 ( -3.120 0.000 -1.486) 3.456 4.685 ( -2.768 0.000 1.582) 3.188 5.012 ( -1.567 0.000 -1.007) 1.863 5.065 ( -0.878 0.000 -0.956) 1.298 5.172 ( -0.474 0.000 1.025) 1.130 5.275 ( 0.903 0.000 -2.185) 2.365 5.340 ( 0.351 0.000 1.438) 1.480 5.384 ( -0.291 0.000 0.211) 0.359 5.560 ( -0.027 0.000 0.166) 0.169 5.595 ( -0.842 0.000 0.245) 0.877 5.757 ( -0.263 0.000 -0.019) 0.263 5.779 ( 1.335 0.000 -0.176) 1.347 5.825 ( -2.047 0.000 0.276) 2.065 5.856 ( 0.100 0.000 -0.393) 0.405 6.170 ( 0.217 0.000 0.445) 0.495 6.178 ( 1.520 0.000 -0.600) 1.634 6.383 ( -0.155 0.000 -0.103) 0.186 6.401 ( -0.589 0.000 0.150) 0.608 7.317 ( 0.525 0.000 0.070) 0.529 7.334 ( 0.441 0.000 -0.045) 0.444 7.920 ( -0.289 0.000 0.103) 0.307 7.938 ( -0.300 0.000 -0.108) 0.319 ======================= Grid point 81 (29/108) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -13.849 0.000 3.325) 14.243 0.837 ( 4.446 0.000 4.549) 6.361 0.988 ( 6.434 0.000 -1.142) 6.534 1.048 ( -9.308 0.000 -2.773) 9.713 1.141 ( -3.465 0.000 1.243) 3.681 1.266 ( 4.788 0.000 -3.597) 5.988 1.301 ( 2.641 0.000 0.418) 2.674 1.346 ( 3.634 0.000 1.629) 3.982 1.553 ( -9.048 0.000 3.905) 9.855 1.671 ( -17.700 0.000 -4.148) 18.180 1.909 ( 1.718 0.000 1.153) 2.069 1.911 ( -0.412 0.000 -0.585) 0.715 2.051 ( 3.983 0.000 0.176) 3.986 2.057 ( -0.825 0.000 -3.465) 3.562 2.328 ( 0.131 0.000 1.789) 1.794 2.394 ( -1.041 0.000 -2.061) 2.308 2.485 ( -0.488 0.000 0.157) 0.512 2.492 ( -0.524 0.000 0.570) 0.774 2.568 ( 8.765 0.000 1.942) 8.978 2.672 ( 4.538 0.000 -1.401) 4.749 3.341 ( 0.202 0.000 0.492) 0.532 3.349 ( -0.552 0.000 -0.682) 0.877 3.967 ( -0.768 0.000 0.756) 1.078 3.987 ( -0.702 0.000 0.074) 0.706 4.350 ( 3.478 0.000 4.338) 5.560 4.427 ( -8.652 0.000 -5.282) 10.137 4.670 ( -0.005 0.000 0.783) 0.783 4.778 ( 5.973 0.000 2.150) 6.348 4.975 ( -0.945 0.000 -1.765) 2.002 5.046 ( 0.510 0.000 -1.621) 1.699 5.174 ( -0.447 0.000 0.958) 1.057 5.279 ( 1.438 0.000 -1.781) 2.290 5.359 ( -0.038 0.000 1.727) 1.727 5.379 ( -0.297 0.000 -0.092) 0.311 5.573 ( 0.886 0.000 0.763) 1.169 5.584 ( -0.367 0.000 -0.329) 0.493 5.760 ( 0.484 0.000 0.133) 0.502 5.773 ( -1.579 0.000 -0.430) 1.637 5.821 ( 1.380 0.000 0.216) 1.396 5.853 ( 0.054 0.000 -0.442) 0.445 6.156 ( -1.652 0.000 -0.150) 1.659 6.189 ( -0.126 0.000 -0.077) 0.147 6.392 ( -0.178 0.000 -0.249) 0.306 6.394 ( 0.990 0.000 0.351) 1.050 7.322 ( -0.217 0.000 0.270) 0.346 7.330 ( -0.706 0.000 -0.228) 0.742 7.923 ( 0.424 0.000 0.240) 0.487 7.935 ( 0.155 0.000 -0.248) 0.293 ======================= Grid point 82 (30/108) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -15.137 0.000 3.020) 15.435 0.748 ( -17.281 0.000 -0.925) 17.305 0.929 ( -10.272 0.000 0.064) 10.272 0.968 ( 3.742 0.000 -1.838) 4.169 1.129 ( -17.631 0.000 0.154) 17.631 1.198 ( -3.489 0.000 -1.641) 3.855 1.295 ( -9.219 0.000 1.356) 9.318 1.370 ( -3.663 0.000 2.175) 4.260 1.425 ( 2.759 0.000 -0.787) 2.869 1.435 ( 5.437 0.000 -0.232) 5.442 1.880 ( -2.347 0.000 -0.367) 2.376 1.957 ( 1.876 0.000 0.574) 1.962 2.008 ( -1.250 0.000 -3.631) 3.840 2.119 ( 2.562 0.000 2.019) 3.262 2.329 ( -3.748 0.000 -2.456) 4.481 2.342 ( -0.921 0.000 2.856) 3.001 2.480 ( -0.224 0.000 0.038) 0.227 2.494 ( 0.313 0.000 0.814) 0.872 2.782 ( 11.780 0.000 -0.088) 11.780 2.802 ( 9.438 0.000 -0.372) 9.445 3.326 ( -1.035 0.000 -1.458) 1.788 3.345 ( -0.602 0.000 1.257) 1.394 3.937 ( -2.930 0.000 0.137) 2.933 3.956 ( -2.229 0.000 -0.462) 2.276 4.244 ( -6.193 0.000 -4.102) 7.428 4.430 ( -1.129 0.000 7.025) 7.115 4.702 ( 3.899 0.000 -1.214) 4.083 4.858 ( 2.448 0.000 -4.320) 4.966 4.971 ( 1.627 0.000 2.216) 2.749 5.064 ( 2.610 0.000 -0.858) 2.747 5.166 ( -1.244 0.000 0.423) 1.314 5.274 ( -1.000 0.000 -1.357) 1.686 5.375 ( 0.081 0.000 -0.230) 0.244 5.386 ( 1.897 0.000 1.370) 2.340 5.577 ( 0.128 0.000 -0.620) 0.633 5.603 ( 1.433 0.000 1.170) 1.850 5.739 ( -1.769 0.000 -0.051) 1.769 5.768 ( 0.067 0.000 -0.122) 0.139 5.855 ( 2.073 0.000 0.067) 2.075 5.856 ( 0.421 0.000 0.446) 0.614 6.119 ( -1.905 0.000 -0.279) 1.925 6.170 ( -1.890 0.000 0.166) 1.897 6.393 ( 0.541 0.000 -0.377) 0.659 6.414 ( 0.791 0.000 0.021) 0.791 7.308 ( -1.346 0.000 -0.248) 1.368 7.314 ( -0.777 0.000 0.259) 0.819 7.937 ( 0.783 0.000 0.256) 0.823 7.939 ( 0.508 0.000 -0.256) 0.569 ======================= Grid point 83 (31/108) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -14.248 0.000 3.842) 14.757 0.386 ( -20.528 0.000 0.187) 20.529 0.626 ( -29.188 0.000 6.030) 29.804 0.734 ( -9.808 0.000 0.122) 9.809 0.894 ( -8.872 0.000 -3.521) 9.546 1.158 ( -2.000 0.000 0.412) 2.042 1.230 ( 0.605 0.000 0.596) 0.849 1.346 ( -2.643 0.000 0.101) 2.645 1.523 ( 6.941 0.000 -0.309) 6.948 1.557 ( 7.047 0.000 -1.525) 7.210 1.827 ( -2.836 0.000 0.168) 2.841 1.935 ( -4.433 0.000 -4.549) 6.352 1.970 ( 0.358 0.000 -2.175) 2.204 2.181 ( 2.364 0.000 1.752) 2.943 2.241 ( -3.340 0.000 -2.145) 3.969 2.335 ( -2.881 0.000 3.007) 4.164 2.479 ( 0.287 0.000 -0.197) 0.348 2.517 ( 1.237 0.000 1.393) 1.863 2.966 ( 8.477 0.000 -0.992) 8.535 2.969 ( 7.250 0.000 0.938) 7.311 3.289 ( -1.074 0.000 -1.627) 1.949 3.335 ( -2.054 0.000 1.348) 2.457 3.876 ( -2.859 0.000 -0.101) 2.861 3.911 ( -1.710 0.000 -0.578) 1.805 4.144 ( -1.978 0.000 -1.566) 2.523 4.415 ( -4.298 0.000 1.661) 4.608 4.784 ( 4.076 0.000 1.608) 4.381 4.810 ( -1.264 0.000 -4.273) 4.456 5.058 ( 4.105 0.000 3.569) 5.440 5.112 ( 1.127 0.000 1.012) 1.515 5.144 ( 0.517 0.000 -1.412) 1.504 5.230 ( -2.391 0.000 -0.493) 2.441 5.378 ( 0.118 0.000 0.357) 0.376 5.436 ( 2.226 0.000 -0.006) 2.226 5.580 ( 0.705 0.000 -0.284) 0.760 5.648 ( 2.140 0.000 1.267) 2.487 5.711 ( -1.240 0.000 0.200) 1.256 5.757 ( -0.983 0.000 -0.356) 1.045 5.886 ( 2.149 0.000 2.877) 3.591 5.893 ( 1.779 0.000 0.125) 1.784 6.089 ( -0.985 0.000 -0.310) 1.033 6.129 ( -2.314 0.000 -0.061) 2.315 6.403 ( 0.708 0.000 -0.063) 0.711 6.417 ( -0.314 0.000 -0.493) 0.584 7.283 ( -0.973 0.000 -0.078) 0.976 7.301 ( -0.748 0.000 0.043) 0.750 7.947 ( 0.499 0.000 -0.126) 0.515 7.952 ( 0.521 0.000 0.140) 0.540 ======================= Grid point 84 (32/108) ======================= q-point: ( 0.00 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( -2.402 6.885 9.021) 11.600 0.440 ( -11.090 14.052 6.857) 19.170 0.500 ( 11.828 16.063 7.146) 21.190 0.736 ( 0.574 8.846 0.450) 8.877 0.859 ( 1.148 7.328 -1.322) 7.535 1.124 ( -1.608 0.059 -4.101) 4.405 1.253 ( -0.307 3.570 -0.526) 3.621 1.436 ( -1.974 8.097 -8.592) 11.970 1.604 ( -0.446 0.153 -0.145) 0.493 1.651 ( 0.056 2.087 -1.247) 2.432 1.791 ( 2.473 -2.195 1.075) 3.477 1.830 ( 0.665 -1.162 0.675) 1.500 2.002 ( 1.949 0.016 -0.915) 2.153 2.079 ( -4.268 0.262 -2.524) 4.965 2.201 ( 1.878 -3.841 3.396) 5.460 2.290 ( -1.091 -1.663 -0.009) 1.989 2.482 ( 0.682 -0.361 0.853) 1.150 2.530 ( -0.604 0.370 0.192) 0.734 3.017 ( -1.365 -1.636 0.328) 2.156 3.047 ( 1.602 -1.560 -0.385) 2.269 3.302 ( 0.606 1.672 0.459) 1.837 3.326 ( -0.635 2.527 -0.058) 2.606 3.824 ( 0.309 -2.965 0.451) 3.015 3.869 ( 0.023 -2.937 -0.728) 3.025 4.156 ( 2.130 2.126 2.010) 3.619 4.388 ( -3.373 5.326 -4.130) 7.537 4.836 ( -0.491 -1.054 2.563) 2.815 4.855 ( 4.756 -2.710 3.049) 6.266 5.063 ( -0.775 0.201 0.416) 0.903 5.138 ( 1.329 -2.231 -2.258) 3.441 5.187 ( -2.700 -0.616 0.337) 2.789 5.200 ( 2.216 0.246 0.485) 2.282 5.378 ( 0.807 -1.099 -0.416) 1.425 5.433 ( -0.665 -1.696 -1.158) 2.158 5.587 ( -1.289 -1.400 1.467) 2.403 5.611 ( -0.087 0.331 0.194) 0.393 5.733 ( 0.135 2.904 0.276) 2.921 5.767 ( -0.472 2.645 -0.496) 2.732 5.893 ( -1.194 -1.383 1.544) 2.392 5.930 ( 0.380 0.769 0.071) 0.861 6.089 ( 0.045 0.735 0.059) 0.739 6.112 ( 0.032 1.149 -0.505) 1.255 6.392 ( 0.194 -1.834 0.561) 1.928 6.420 ( 0.454 -0.749 0.023) 0.876 7.285 ( 0.177 0.930 0.196) 0.966 7.305 ( -0.181 1.402 -0.283) 1.442 7.937 ( 0.153 -1.678 0.055) 1.685 7.941 ( -0.152 -1.584 -0.045) 1.592 ======================= Grid point 85 (33/108) ======================= q-point: ( 0.14 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 3.207 6.653 9.154) 11.762 0.458 ( 13.035 2.327 4.403) 13.954 0.732 ( 7.832 6.082 -2.739) 10.288 0.904 ( 11.037 3.824 2.019) 11.854 1.011 ( 13.602 6.326 -0.226) 15.003 1.052 ( 2.223 4.015 -2.168) 5.076 1.251 ( 0.157 3.890 0.322) 3.907 1.340 ( 0.109 6.492 -4.518) 7.911 1.532 ( -6.799 -1.556 0.631) 7.003 1.591 ( -5.535 1.414 -1.059) 5.810 1.835 ( 1.951 -0.753 0.025) 2.092 1.904 ( 4.048 -2.560 -0.526) 4.818 1.969 ( -0.892 -0.576 -1.741) 2.039 2.095 ( 3.272 0.223 0.589) 3.332 2.230 ( 0.349 -2.157 -0.920) 2.370 2.330 ( 3.991 -1.743 2.181) 4.871 2.490 ( -0.910 0.049 0.276) 0.953 2.516 ( -0.335 1.191 0.255) 1.264 2.934 ( -6.679 -1.093 -0.159) 6.770 3.000 ( -7.041 -0.609 0.350) 7.076 3.299 ( 0.971 2.752 -1.056) 3.104 3.360 ( 1.877 1.221 1.044) 2.471 3.841 ( 1.026 -4.038 -0.210) 4.172 3.882 ( 1.892 -3.405 -0.353) 3.911 4.256 ( 4.426 2.919 2.208) 5.743 4.308 ( 0.726 5.127 -3.232) 6.104 4.807 ( -4.052 -1.565 1.231) 4.514 4.915 ( -1.166 -1.876 -0.081) 2.210 5.035 ( -1.308 -1.024 0.719) 1.811 5.112 ( -3.340 -0.521 0.604) 3.434 5.187 ( 3.133 -1.337 -1.615) 3.770 5.223 ( -0.030 0.679 0.867) 1.102 5.380 ( -0.284 -0.545 0.506) 0.797 5.397 ( -1.847 -1.139 -1.215) 2.487 5.577 ( -0.600 -1.203 0.713) 1.521 5.610 ( -0.843 0.085 0.242) 0.881 5.747 ( 0.643 2.625 0.375) 2.728 5.763 ( 0.806 2.159 -0.306) 2.325 5.878 ( -1.185 -0.041 0.949) 1.519 5.916 ( -1.788 0.936 0.162) 2.024 6.106 ( 1.782 0.372 0.066) 1.822 6.122 ( 1.206 0.835 -0.391) 1.518 6.398 ( -0.075 -1.606 0.391) 1.655 6.417 ( -0.585 -0.928 -0.341) 1.149 7.299 ( 0.933 0.976 0.186) 1.363 7.306 ( 0.731 1.353 -0.233) 1.555 7.931 ( -0.741 -1.593 -0.132) 1.762 7.936 ( -0.262 -1.648 0.138) 1.674 ======================= Grid point 86 (34/108) ======================= q-point: ( 0.29 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 8.301 4.652 5.606) 11.045 0.695 ( 7.054 -0.163 -3.521) 7.885 0.885 ( 11.493 0.610 -1.928) 11.669 0.951 ( 7.014 0.208 -0.417) 7.029 1.221 ( 0.845 0.719 2.619) 2.844 1.242 ( 4.967 2.132 0.530) 5.431 1.276 ( 4.868 1.561 -0.512) 5.137 1.344 ( 0.706 3.318 -1.667) 3.779 1.421 ( -2.403 -1.949 0.714) 3.175 1.496 ( 1.125 0.523 -0.256) 1.266 1.859 ( 1.058 -1.113 -0.309) 1.567 1.943 ( 2.148 2.190 -0.743) 3.157 1.990 ( 2.905 -1.730 -0.505) 3.419 2.130 ( -0.704 -2.045 1.256) 2.501 2.247 ( 2.491 -0.932 -1.117) 2.885 2.420 ( 3.400 -1.777 1.586) 4.151 2.459 ( -1.471 0.164 -1.007) 1.790 2.525 ( 0.354 2.495 0.879) 2.669 2.784 ( -9.703 -0.359 -0.719) 9.736 2.827 ( -10.192 2.172 0.300) 10.425 3.322 ( 1.877 2.380 -0.551) 3.081 3.387 ( 0.328 1.673 0.507) 1.779 3.859 ( 1.477 -5.368 -0.548) 5.594 3.921 ( 2.088 -3.464 0.057) 4.045 4.260 ( 2.245 5.113 -3.813) 6.762 4.448 ( 7.624 1.589 5.057) 9.285 4.733 ( -4.195 -1.097 0.461) 4.361 4.823 ( -6.572 0.617 -2.374) 7.015 5.027 ( -1.401 -1.454 0.886) 2.204 5.073 ( -0.967 -0.718 0.126) 1.211 5.199 ( -1.234 1.080 0.575) 1.738 5.249 ( 3.075 -0.814 -1.593) 3.558 5.354 ( -1.850 0.346 0.036) 1.882 5.386 ( 0.424 -0.152 0.255) 0.518 5.564 ( -1.230 -0.780 -0.160) 1.465 5.592 ( -1.017 -1.301 0.480) 1.720 5.761 ( 0.654 1.133 -0.205) 1.324 5.776 ( 0.341 1.613 0.409) 1.698 5.869 ( -0.805 0.944 0.108) 1.245 5.878 ( -1.820 1.256 0.334) 2.237 6.141 ( 0.901 -0.136 0.405) 0.997 6.151 ( 2.740 0.254 -0.402) 2.781 6.391 ( -0.832 -0.948 -0.361) 1.312 6.403 ( -0.450 -0.634 0.165) 0.795 7.313 ( 0.839 1.001 -0.191) 1.320 7.329 ( 1.270 1.273 0.172) 1.807 7.915 ( -0.802 -1.594 -0.062) 1.785 7.930 ( -0.470 -1.599 0.066) 1.668 ======================= Grid point 87 (35/108) ======================= q-point: ( 0.43 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 3.473 1.356 0.126) 3.731 0.822 ( 9.012 3.515 3.195) 10.187 1.043 ( -3.104 1.307 0.004) 3.368 1.111 ( 3.970 0.254 -0.446) 4.003 1.147 ( 4.241 2.410 1.479) 5.097 1.257 ( -0.800 -0.088 -3.120) 3.222 1.288 ( -1.248 -0.654 -0.116) 1.413 1.299 ( -2.832 0.718 1.162) 3.144 1.469 ( 2.839 -6.451 1.379) 7.181 1.601 ( 3.393 -10.671 -0.320) 11.202 1.898 ( 2.779 2.080 0.779) 3.557 1.970 ( 1.139 -1.962 -0.945) 2.458 2.040 ( 2.228 2.273 -2.522) 4.061 2.110 ( -1.234 0.325 0.323) 1.317 2.279 ( 1.147 -2.087 0.714) 2.486 2.430 ( -0.415 0.761 -1.510) 1.741 2.476 ( 1.768 -0.577 0.919) 2.074 2.540 ( -0.864 2.547 1.554) 3.106 2.590 ( -6.689 5.198 -1.042) 8.535 2.687 ( -5.001 0.816 -0.399) 5.083 3.347 ( 0.827 2.067 0.100) 2.228 3.388 ( -0.137 2.567 -0.239) 2.582 3.886 ( 1.312 -5.930 0.513) 6.095 3.948 ( 0.729 -3.803 -0.042) 3.873 4.300 ( 4.121 4.099 -0.598) 5.843 4.623 ( 5.930 0.761 3.323) 6.840 4.647 ( -6.972 0.320 -3.636) 7.869 4.689 ( -2.686 0.562 1.650) 3.202 4.997 ( -1.553 -0.960 -0.607) 1.924 5.062 ( -0.322 -0.597 -1.116) 1.306 5.184 ( -0.876 1.098 0.984) 1.715 5.275 ( 1.459 -0.153 -2.178) 2.626 5.344 ( 0.061 0.593 1.513) 1.627 5.395 ( 0.203 0.826 0.188) 0.871 5.544 ( -0.547 -1.472 0.207) 1.584 5.580 ( -0.593 -1.532 0.015) 1.643 5.761 ( -0.225 0.651 0.083) 0.694 5.790 ( 0.785 1.073 -0.099) 1.333 5.836 ( -1.725 1.183 0.289) 2.112 5.873 ( 0.152 1.644 -0.363) 1.690 6.154 ( 0.090 -0.971 0.454) 1.075 6.189 ( 1.436 0.421 -0.487) 1.573 6.376 ( -0.305 -0.743 -0.007) 0.803 6.398 ( -0.299 -0.276 -0.014) 0.407 7.326 ( 0.522 0.961 0.084) 1.096 7.346 ( 0.433 1.270 -0.069) 1.344 7.905 ( -0.285 -1.585 0.105) 1.614 7.923 ( -0.292 -1.568 -0.108) 1.599 ======================= Grid point 88 (36/108) ======================= q-point: (-0.43 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -7.134 0.271 2.825) 7.678 0.881 ( -3.683 3.409 3.900) 6.356 1.001 ( 7.048 1.417 -0.742) 7.228 1.045 ( -10.886 -0.328 -2.966) 11.288 1.160 ( -4.854 1.701 1.408) 5.332 1.265 ( 3.714 -0.188 -2.114) 4.278 1.299 ( 4.832 -0.151 -0.223) 4.840 1.364 ( 4.701 1.705 2.188) 5.459 1.467 ( -5.235 -6.597 2.289) 8.727 1.562 ( -7.152 -8.293 -2.195) 11.169 1.900 ( -2.279 1.315 0.785) 2.746 1.978 ( -0.536 -4.295 -0.473) 4.354 2.027 ( -2.582 4.233 -1.939) 5.324 2.069 ( 1.313 -0.580 -1.471) 2.055 2.319 ( 0.663 -1.731 2.104) 2.804 2.398 ( -1.713 -0.120 -2.389) 2.942 2.478 ( -1.799 0.707 0.605) 2.025 2.523 ( 0.139 3.555 0.499) 3.593 2.627 ( 7.619 4.380 0.823) 8.827 2.670 ( 4.591 0.249 -1.252) 4.765 3.353 ( -0.305 1.670 0.358) 1.735 3.381 ( -0.370 2.824 -0.516) 2.894 3.906 ( -0.275 -5.650 1.248) 5.793 3.943 ( -1.032 -4.398 -0.458) 4.541 4.390 ( 3.600 3.557 3.628) 6.227 4.448 ( -8.485 2.123 -4.670) 9.915 4.667 ( 0.044 -0.245 0.816) 0.853 4.776 ( 5.438 -0.289 1.543) 5.660 4.969 ( -0.516 -0.279 -1.040) 1.194 5.046 ( 0.390 -0.239 -1.710) 1.770 5.182 ( -0.458 0.608 0.778) 1.088 5.280 ( 1.068 0.073 -1.702) 2.011 5.360 ( -0.485 0.290 1.699) 1.790 5.394 ( -0.035 1.146 0.060) 1.148 5.553 ( 1.069 -1.701 0.664) 2.116 5.571 ( -0.228 -1.344 -0.442) 1.433 5.764 ( 0.281 0.685 0.215) 0.771 5.782 ( -1.092 0.902 -0.358) 1.461 5.837 ( 1.347 1.584 0.379) 2.114 5.871 ( -0.025 1.624 -0.475) 1.692 6.149 ( -1.071 -0.651 0.259) 1.280 6.191 ( -0.580 0.134 -0.354) 0.693 6.384 ( 0.837 -0.844 0.302) 1.227 6.392 ( -0.164 -0.253 -0.287) 0.416 7.331 ( -0.249 0.980 0.287) 1.051 7.342 ( -0.672 1.233 -0.261) 1.428 7.908 ( 0.429 -1.574 0.247) 1.650 7.919 ( 0.142 -1.573 -0.253) 1.600 ======================= Grid point 89 (37/108) ======================= q-point: (-0.29 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -14.544 2.271 1.240) 14.772 0.703 ( -18.151 -2.588 0.109) 18.335 0.927 ( -7.644 0.617 -0.383) 7.679 1.004 ( 0.679 3.018 -0.146) 3.097 1.161 ( -4.072 1.922 0.752) 4.565 1.233 ( -7.528 3.468 -2.095) 8.549 1.306 ( -9.325 0.590 2.181) 9.595 1.375 ( 1.608 -0.083 -0.007) 1.611 1.424 ( 3.163 1.765 0.078) 3.623 1.482 ( 5.207 3.355 0.198) 6.197 1.884 ( -2.476 -0.031 0.391) 2.507 1.945 ( 1.413 -1.708 -1.048) 2.452 1.971 ( -2.707 -2.390 -0.952) 3.734 2.113 ( 2.179 -1.197 0.778) 2.605 2.317 ( -2.850 -1.215 -1.039) 3.268 2.335 ( -2.559 -1.143 0.916) 2.949 2.464 ( -0.088 -0.646 -0.705) 0.960 2.519 ( -0.424 2.315 0.959) 2.541 2.795 ( 8.867 -0.413 -0.588) 8.896 2.815 ( 10.338 2.468 0.194) 10.630 3.342 ( -0.908 1.782 -0.677) 2.112 3.365 ( -1.160 2.020 0.573) 2.399 3.883 ( -2.595 -4.823 -0.193) 5.480 3.917 ( -1.411 -4.073 0.136) 4.312 4.266 ( -6.646 2.309 -3.622) 7.913 4.475 ( -0.361 4.124 6.245) 7.492 4.696 ( 3.607 -0.601 -1.116) 3.824 4.836 ( 1.462 -1.865 -3.316) 4.076 4.981 ( 1.922 0.956 1.513) 2.626 5.061 ( 2.619 -0.263 -0.693) 2.722 5.176 ( -0.554 0.521 -0.073) 0.764 5.271 ( -1.294 -0.255 -0.758) 1.521 5.354 ( -0.355 -1.075 0.072) 1.134 5.412 ( 1.333 1.319 0.756) 2.021 5.566 ( 0.143 -1.299 -0.233) 1.327 5.585 ( 1.566 -1.195 0.498) 2.032 5.755 ( -0.919 1.372 -0.249) 1.670 5.777 ( 0.107 1.262 0.342) 1.311 5.866 ( 0.445 1.078 0.104) 1.171 5.875 ( 1.693 1.744 0.233) 2.442 6.123 ( -1.528 0.381 -0.146) 1.582 6.168 ( -1.765 -0.210 0.145) 1.783 6.387 ( 0.106 -0.615 -0.334) 0.708 6.403 ( 0.815 -0.984 0.039) 1.278 7.316 ( -1.334 0.917 -0.197) 1.630 7.327 ( -0.763 1.311 0.199) 1.530 7.922 ( 0.787 -1.570 0.253) 1.775 7.923 ( 0.484 -1.611 -0.254) 1.701 ======================= Grid point 90 (38/108) ======================= q-point: (-0.14 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( -10.405 5.087 3.631) 12.138 0.416 ( -13.594 4.746 4.886) 15.205 0.771 ( -6.236 5.073 -0.196) 8.041 0.796 ( -22.762 12.431 1.261) 25.966 0.970 ( -6.249 6.197 -3.363) 9.422 1.168 ( -3.718 1.062 1.283) 4.074 1.256 ( 0.846 2.551 0.316) 2.706 1.444 ( 3.507 4.912 -1.033) 6.123 1.513 ( 7.515 0.545 -0.233) 7.538 1.597 ( 6.445 3.101 -1.423) 7.292 1.823 ( -3.538 -0.155 -0.044) 3.542 1.894 ( -4.942 -2.533 -0.822) 5.614 1.984 ( 2.916 -0.317 -3.362) 4.462 2.141 ( -0.888 -3.380 2.693) 4.412 2.218 ( -4.716 -1.138 -2.265) 5.355 2.314 ( -2.102 -2.453 2.099) 3.852 2.464 ( 0.623 -0.929 -0.177) 1.132 2.526 ( 0.146 1.176 1.015) 1.560 2.949 ( 7.327 -1.338 -0.051) 7.448 2.977 ( 6.602 0.054 0.091) 6.603 3.309 ( -1.263 2.013 -1.261) 2.691 3.350 ( -1.645 1.630 1.237) 2.625 3.835 ( -1.741 -3.522 -0.303) 3.941 3.889 ( -1.482 -2.949 -0.257) 3.311 4.157 ( -2.731 2.045 -0.960) 3.544 4.469 ( -3.337 4.573 0.959) 5.741 4.774 ( 3.644 -1.000 1.113) 3.940 4.807 ( -0.076 -0.342 -1.601) 1.639 5.037 ( 2.043 -0.170 1.474) 2.525 5.125 ( 3.890 -0.129 -0.197) 3.897 5.161 ( -0.166 0.210 -1.115) 1.147 5.229 ( -2.544 -0.238 0.437) 2.593 5.359 ( 1.040 -1.423 -0.288) 1.786 5.438 ( 0.904 -0.280 -0.363) 1.014 5.576 ( 0.669 -0.876 0.731) 1.322 5.612 ( 0.632 -1.628 0.493) 1.814 5.740 ( -0.654 2.170 -0.001) 2.267 5.776 ( -0.368 2.179 0.116) 2.213 5.880 ( 0.473 -0.082 1.685) 1.752 5.909 ( 1.608 1.440 -0.124) 2.162 6.098 ( -0.908 0.931 -0.184) 1.314 6.133 ( -1.826 0.364 -0.088) 1.864 6.388 ( -0.024 -1.454 0.096) 1.457 6.412 ( 0.356 -0.528 -0.240) 0.680 7.292 ( -0.955 0.889 -0.075) 1.307 7.315 ( -0.684 1.400 0.038) 1.559 7.931 ( 0.477 -1.663 -0.124) 1.734 7.937 ( 0.523 -1.566 0.130) 1.656 ======================= Grid point 91 (39/108) ======================= q-point: ( 0.00 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 0.615 8.483 8.311) 11.892 0.741 ( -7.757 14.933 -0.268) 16.829 0.794 ( 5.494 13.802 3.322) 15.222 0.934 ( 0.893 10.740 -1.238) 10.848 1.020 ( 2.180 8.688 -1.345) 9.058 1.137 ( -2.112 1.887 -1.605) 3.255 1.332 ( 0.115 3.997 0.707) 4.060 1.535 ( -0.900 2.597 -4.037) 4.883 1.620 ( 0.830 1.276 -0.657) 1.658 1.704 ( -3.263 3.751 -2.371) 5.508 1.742 ( 2.710 -1.983 1.830) 3.824 1.825 ( -1.464 -0.050 0.938) 1.740 1.981 ( 1.457 -2.190 -0.982) 2.808 2.083 ( -4.408 -1.970 -0.244) 4.834 2.126 ( 3.935 -2.257 1.156) 4.682 2.231 ( 0.539 -4.131 -1.065) 4.300 2.488 ( 1.003 1.330 1.539) 2.268 2.554 ( -0.700 2.101 -0.099) 2.216 2.974 ( -0.946 -2.632 0.488) 2.839 3.007 ( 0.821 -2.544 -0.284) 2.688 3.351 ( 0.839 3.172 0.571) 3.330 3.386 ( -0.776 3.604 -0.244) 3.695 3.753 ( 0.143 -4.305 0.247) 4.315 3.792 ( -0.247 -4.606 -0.699) 4.665 4.230 ( 1.765 5.283 2.863) 6.263 4.494 ( -2.353 5.246 -4.026) 7.019 4.800 ( -0.151 -2.523 2.130) 3.305 4.816 ( 1.507 -1.831 1.555) 2.836 5.084 ( 2.550 0.551 -1.253) 2.894 5.094 ( -1.035 -1.146 -2.444) 2.891 5.169 ( -3.172 -0.760 1.870) 3.760 5.196 ( 1.906 -0.259 1.440) 2.403 5.342 ( 0.859 -2.338 -0.005) 2.491 5.403 ( -0.738 -1.151 -1.822) 2.278 5.562 ( -0.683 -1.103 1.568) 2.035 5.612 ( 0.421 -0.451 -0.246) 0.665 5.803 ( 0.362 4.138 0.300) 4.165 5.826 ( -0.501 3.332 -0.285) 3.382 5.891 ( -0.423 0.987 1.035) 1.491 5.951 ( 0.214 1.365 -0.631) 1.519 6.108 ( -0.404 1.093 0.280) 1.198 6.137 ( 0.295 1.307 -0.447) 1.413 6.350 ( -0.010 -2.444 0.662) 2.532 6.397 ( 0.176 -1.701 -0.427) 1.763 7.313 ( 0.198 2.014 0.340) 2.053 7.342 ( -0.182 2.372 -0.366) 2.407 7.889 ( 0.147 -3.205 0.077) 3.209 7.896 ( -0.148 -3.081 -0.081) 3.086 ======================= Grid point 92 (40/108) ======================= q-point: ( 0.14 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 6.267 8.170 6.677) 12.272 0.626 ( -0.928 11.767 3.242) 12.240 0.851 ( 1.594 5.993 -3.238) 6.996 0.975 ( -0.120 4.527 -2.364) 5.108 1.131 ( 9.189 6.062 -1.282) 11.083 1.174 ( 7.416 7.166 1.437) 10.412 1.339 ( -0.497 4.374 1.578) 4.676 1.454 ( -2.110 3.445 -3.954) 5.653 1.521 ( -7.975 1.922 0.641) 8.229 1.617 ( -5.482 1.392 -1.588) 5.875 1.816 ( 0.438 -0.909 -0.241) 1.037 1.864 ( 5.818 -1.856 1.580) 6.308 1.957 ( -1.718 -0.681 -0.153) 1.854 2.072 ( 1.011 -2.406 0.779) 2.724 2.184 ( 2.555 -2.570 -1.843) 4.066 2.279 ( 4.675 -3.551 0.474) 5.890 2.507 ( -0.780 1.820 0.529) 2.050 2.549 ( 0.850 2.254 0.299) 2.428 2.904 ( -6.108 -1.982 0.074) 6.422 2.977 ( -4.282 -1.743 0.102) 4.625 3.369 ( 0.473 4.201 -0.665) 4.279 3.395 ( 1.986 2.386 0.864) 3.223 3.752 ( -0.234 -4.800 -0.290) 4.814 3.798 ( 1.352 -5.010 -0.122) 5.191 4.331 ( 5.045 4.644 4.456) 8.178 4.419 ( -0.819 5.945 -5.149) 7.907 4.767 ( -3.598 -2.562 0.804) 4.490 4.862 ( 0.276 -3.060 1.428) 3.388 5.047 ( -1.350 1.062 -1.757) 2.457 5.099 ( -2.490 -0.022 0.781) 2.610 5.158 ( 2.873 -1.419 -0.683) 3.277 5.228 ( -0.008 -0.086 1.658) 1.660 5.362 ( 0.841 -1.272 0.853) 1.748 5.371 ( -0.501 -1.236 -2.385) 2.733 5.555 ( -1.258 -1.076 1.066) 1.969 5.604 ( -1.193 -0.869 -0.257) 1.498 5.807 ( -0.490 3.385 -0.127) 3.423 5.815 ( -0.038 3.351 0.369) 3.371 5.895 ( 0.058 1.620 0.622) 1.736 5.937 ( -1.240 1.342 -0.363) 1.863 6.118 ( 1.402 0.769 0.010) 1.599 6.139 ( 0.139 0.873 -0.094) 0.889 6.361 ( 0.455 -2.101 0.580) 2.227 6.392 ( -0.302 -1.807 -0.526) 1.906 7.328 ( 0.887 2.047 0.307) 2.252 7.342 ( 0.716 2.332 -0.329) 2.461 7.886 ( -0.696 -3.059 -0.158) 3.141 7.890 ( -0.219 -3.160 0.155) 3.172 ======================= Grid point 93 (41/108) ======================= q-point: ( 0.29 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 6.131 3.374 -0.744) 7.038 0.746 ( 7.095 7.185 3.033) 10.543 0.911 ( 7.601 2.405 -0.697) 8.002 0.981 ( 5.569 3.035 -0.919) 6.409 1.236 ( 0.143 1.106 0.614) 1.273 1.293 ( 3.217 2.106 0.897) 3.949 1.335 ( -1.526 3.248 1.122) 3.760 1.376 ( -7.404 0.510 0.867) 7.472 1.409 ( -1.890 1.890 -1.977) 3.324 1.503 ( -3.680 0.334 -1.586) 4.021 1.841 ( 2.364 -1.153 0.025) 2.630 1.915 ( -0.239 -3.321 1.399) 3.612 2.003 ( 5.236 0.984 -0.530) 5.354 2.076 ( -0.627 -3.060 0.643) 3.189 2.217 ( 2.115 -2.362 -1.088) 3.352 2.365 ( 3.935 -3.853 -0.176) 5.510 2.488 ( -0.248 2.759 -0.624) 2.839 2.578 ( 1.363 2.893 0.696) 3.273 2.773 ( -7.639 -0.740 -0.146) 7.676 2.863 ( -7.411 1.136 -0.081) 7.498 3.384 ( 1.278 3.718 -0.055) 3.932 3.434 ( 1.611 3.141 0.153) 3.533 3.748 ( 0.259 -5.709 -0.280) 5.722 3.826 ( 1.359 -6.008 0.227) 6.164 4.371 ( 1.342 6.007 -4.107) 7.399 4.489 ( 6.102 2.657 4.826) 8.221 4.707 ( -3.029 -1.520 0.324) 3.405 4.823 ( -4.508 -0.719 -1.308) 4.749 5.023 ( -0.980 1.195 -0.057) 1.546 5.056 ( -1.855 -0.821 0.303) 2.051 5.211 ( 2.180 -0.245 -0.936) 2.385 5.232 ( 0.071 -0.672 1.018) 1.222 5.351 ( 0.501 -0.887 -1.754) 2.029 5.385 ( 0.722 0.336 1.217) 1.454 5.539 ( -1.308 -1.721 0.607) 2.245 5.567 ( -2.144 -1.386 -0.388) 2.582 5.796 ( -0.311 2.578 -0.330) 2.618 5.820 ( -0.175 3.013 0.762) 3.113 5.893 ( -0.934 1.503 -0.458) 1.828 5.913 ( -0.726 2.170 0.425) 2.328 6.139 ( -0.223 0.005 0.492) 0.540 6.155 ( 2.459 0.174 -0.302) 2.484 6.367 ( -0.415 -1.548 -0.080) 1.605 6.384 ( 0.191 -1.345 -0.117) 1.363 7.342 ( 0.747 1.999 -0.178) 2.142 7.364 ( 1.281 2.277 0.155) 2.617 7.871 ( -0.749 -2.961 -0.083) 3.056 7.885 ( -0.416 -3.097 0.084) 3.126 ======================= Grid point 94 (42/108) ======================= q-point: ( 0.43 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 3.847 3.888 0.150) 5.472 0.902 ( 7.571 4.438 1.461) 8.896 1.069 ( 3.624 0.973 -1.066) 3.901 1.125 ( 3.384 1.582 0.668) 3.795 1.181 ( 3.949 -0.151 3.022) 4.975 1.251 ( -7.209 -2.543 -1.557) 7.802 1.282 ( -2.483 2.711 -1.425) 3.942 1.319 ( -3.913 1.263 2.343) 4.733 1.370 ( 0.280 -1.867 0.558) 1.968 1.456 ( -1.306 -3.858 -0.405) 4.093 1.874 ( 0.811 -4.869 -0.502) 4.962 1.945 ( 1.556 -0.048 1.227) 1.982 2.002 ( -1.477 -4.362 -2.293) 5.145 2.134 ( 3.041 0.422 -0.452) 3.103 2.227 ( -0.012 -3.259 0.720) 3.338 2.401 ( 0.648 -3.694 -1.714) 4.124 2.517 ( 4.015 3.751 0.292) 5.503 2.587 ( -2.753 2.511 0.477) 3.757 2.666 ( -1.323 1.929 -0.047) 2.339 2.734 ( -5.674 3.966 -0.402) 6.934 3.403 ( 0.423 3.591 0.406) 3.639 3.454 ( 0.703 3.983 -0.566) 4.084 3.759 ( 0.638 -6.781 0.671) 6.844 3.842 ( 0.249 -6.859 -0.241) 6.867 4.391 ( 3.266 4.973 -0.877) 6.014 4.622 ( 2.385 -0.246 2.606) 3.541 4.661 ( -2.614 0.524 -1.502) 3.060 4.716 ( -2.668 2.277 0.045) 3.508 4.993 ( -1.585 0.824 -0.213) 1.799 5.043 ( 0.167 -1.053 -1.028) 1.481 5.205 ( -1.366 0.873 1.029) 1.921 5.261 ( 2.004 -1.261 -1.385) 2.743 5.360 ( 1.084 0.511 0.258) 1.226 5.407 ( 0.377 0.517 0.593) 0.872 5.511 ( -1.621 -1.923 0.385) 2.544 5.541 ( -0.430 -2.441 -0.199) 2.486 5.792 ( 0.025 2.555 0.054) 2.556 5.820 ( -0.314 2.315 0.045) 2.337 5.870 ( -0.805 2.263 0.272) 2.417 5.910 ( 0.034 2.084 -0.247) 2.099 6.139 ( -0.439 -0.602 0.736) 1.047 6.190 ( 1.395 -0.283 -0.589) 1.541 6.356 ( -0.364 -1.254 0.138) 1.313 6.388 ( 0.157 -0.815 -0.273) 0.874 7.354 ( 0.502 1.935 0.114) 2.002 7.381 ( 0.420 2.251 -0.125) 2.293 7.861 ( -0.256 -2.892 0.094) 2.905 7.878 ( -0.273 -3.036 -0.093) 3.050 ======================= Grid point 95 (43/108) ======================= q-point: (-0.43 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -4.777 3.318 2.150) 6.201 0.941 ( -9.227 2.418 0.945) 9.585 1.014 ( -3.239 -0.132 -1.692) 3.656 1.076 ( 1.748 3.734 -0.214) 4.129 1.190 ( -8.829 1.044 2.293) 9.182 1.251 ( 4.579 -0.745 -1.392) 4.843 1.304 ( 7.564 0.827 0.473) 7.624 1.374 ( 0.174 -2.658 1.468) 3.041 1.404 ( 6.287 2.370 2.732) 7.253 1.432 ( -0.536 -4.042 -1.587) 4.376 1.873 ( -0.268 -6.099 -0.242) 6.110 1.903 ( -3.330 -1.432 -0.992) 3.758 2.030 ( 2.861 -2.367 0.349) 3.729 2.082 ( -5.173 0.607 -2.286) 5.688 2.262 ( 1.017 -3.786 1.640) 4.249 2.368 ( -1.755 -2.881 -2.778) 4.370 2.522 ( -3.026 3.122 0.397) 4.366 2.611 ( 0.196 4.779 1.282) 4.952 2.651 ( 3.433 -0.370 -0.822) 3.550 2.736 ( 5.711 4.512 -0.362) 7.287 3.405 ( -0.616 3.473 0.515) 3.565 3.449 ( -0.687 4.002 -0.750) 4.129 3.777 ( 0.063 -7.239 1.390) 7.371 3.832 ( -0.725 -6.790 -0.808) 6.877 4.463 ( 1.593 3.710 1.331) 4.252 4.504 ( -5.355 3.555 -2.107) 6.764 4.664 ( 0.011 0.027 0.954) 0.955 4.768 ( 3.513 -0.378 0.225) 3.540 4.977 ( 0.453 1.254 -0.363) 1.382 5.038 ( 0.715 -0.245 -1.273) 1.480 5.190 ( -1.036 0.011 0.416) 1.116 5.276 ( 0.566 -0.688 -0.759) 1.170 5.373 ( -1.478 0.854 0.445) 1.764 5.405 ( 0.296 -0.213 0.579) 0.685 5.512 ( 0.876 -2.587 0.435) 2.765 5.541 ( 0.868 -1.521 -0.198) 1.762 5.797 ( 0.235 2.939 0.252) 2.959 5.809 ( -0.423 2.019 -0.253) 2.078 5.877 ( 1.073 2.540 0.536) 2.809 5.907 ( -0.077 2.001 -0.447) 2.052 6.136 ( -0.517 -0.592 0.646) 1.017 6.190 ( -0.731 -0.301 -0.552) 0.965 6.362 ( 0.565 -1.426 0.366) 1.577 6.383 ( -0.255 -0.697 -0.495) 0.892 7.359 ( -0.271 1.953 0.334) 2.000 7.376 ( -0.627 2.217 -0.341) 2.329 7.864 ( 0.419 -2.896 0.240) 2.936 7.875 ( 0.109 -3.025 -0.238) 3.037 ======================= Grid point 96 (44/108) ======================= q-point: (-0.29 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -12.566 5.410 -1.342) 13.747 0.715 ( -11.519 4.396 1.347) 12.403 0.963 ( -3.938 2.988 0.399) 4.959 1.071 ( -2.670 3.704 1.262) 4.737 1.191 ( 3.643 1.655 0.683) 4.059 1.298 ( -2.097 2.456 -1.486) 3.555 1.328 ( -4.476 2.223 1.201) 5.140 1.367 ( 0.786 -0.618 0.278) 1.038 1.466 ( 7.227 2.025 -1.412) 7.638 1.548 ( 5.930 2.997 1.692) 6.857 1.858 ( -1.899 -2.915 1.413) 3.755 1.879 ( 1.754 -3.675 -0.137) 4.075 1.963 ( -5.337 0.596 -1.748) 5.647 2.070 ( 1.007 -2.936 0.538) 3.150 2.268 ( -1.580 -4.387 1.239) 4.824 2.297 ( -3.178 -2.156 -2.917) 4.822 2.484 ( -1.170 2.633 -0.782) 2.986 2.575 ( -1.793 3.334 0.675) 3.845 2.781 ( 7.840 -0.799 0.130) 7.881 2.859 ( 7.041 1.526 -0.233) 7.208 3.393 ( -0.980 3.346 0.194) 3.492 3.418 ( -1.858 3.370 -0.232) 3.856 3.774 ( -1.150 -6.164 0.164) 6.272 3.816 ( -0.491 -5.989 0.092) 6.010 4.330 ( -6.376 4.304 -2.773) 8.178 4.565 ( 0.666 4.730 5.065) 6.962 4.680 ( 2.581 -0.876 -0.867) 2.860 4.798 ( 0.878 -2.013 -2.074) 3.021 5.004 ( 2.253 1.300 -0.134) 2.605 5.063 ( 2.827 0.847 0.080) 2.953 5.171 ( -0.939 -0.990 -0.691) 1.530 5.260 ( -2.419 -1.084 0.637) 2.726 5.340 ( -0.669 -0.314 -1.012) 1.253 5.423 ( 0.210 -0.161 1.026) 1.059 5.529 ( 0.784 -2.151 0.337) 2.314 5.570 ( 1.999 -0.703 -0.253) 2.134 5.794 ( -0.040 2.942 -0.392) 2.968 5.817 ( 0.530 2.731 0.703) 2.870 5.895 ( -0.010 1.868 -0.375) 1.905 5.914 ( 1.448 2.244 0.434) 2.706 6.130 ( -0.468 0.274 0.151) 0.562 6.164 ( -1.609 -0.187 0.035) 1.620 6.365 ( -0.601 -1.727 -0.116) 1.832 6.383 ( 0.747 -1.102 -0.151) 1.340 7.344 ( -1.373 1.958 -0.172) 2.397 7.362 ( -0.650 2.273 0.151) 2.369 7.877 ( 0.503 -3.075 -0.101) 3.118 7.879 ( 0.665 -2.969 0.103) 3.044 ======================= Grid point 97 (45/108) ======================= q-point: (-0.14 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -7.929 7.652 2.919) 11.399 0.613 ( 0.780 14.153 2.813) 14.451 0.910 ( -0.088 8.786 -0.838) 8.826 1.018 ( -11.766 8.706 0.882) 14.663 1.077 ( -3.588 5.060 -4.367) 7.586 1.214 ( -6.998 3.934 2.658) 8.457 1.316 ( 1.561 3.308 0.087) 3.658 1.476 ( 7.526 0.532 0.998) 7.610 1.555 ( 4.666 1.990 -2.599) 5.699 1.661 ( 5.051 3.322 -0.183) 6.049 1.832 ( -3.993 1.138 0.521) 4.185 1.850 ( -4.217 -1.957 1.177) 4.796 1.943 ( 4.451 -3.643 -2.342) 6.211 2.077 ( -1.009 -3.252 2.419) 4.177 2.195 ( -5.165 -2.050 -2.329) 6.025 2.246 ( -1.230 -4.004 -0.118) 4.190 2.468 ( 0.091 1.712 -0.073) 1.716 2.562 ( -0.607 2.557 0.692) 2.718 2.916 ( 5.998 -1.964 0.295) 6.318 2.965 ( 4.250 -1.361 -0.128) 4.465 3.362 ( -1.744 3.348 -0.576) 3.819 3.398 ( -0.791 3.237 0.694) 3.404 3.755 ( -0.538 -4.673 -0.231) 4.709 3.806 ( -0.754 -5.061 0.039) 5.117 4.228 ( -2.890 5.143 -0.201) 5.903 4.561 ( -2.592 4.480 -0.066) 5.176 4.748 ( 3.311 -1.544 0.985) 3.784 4.793 ( 0.633 -1.169 -0.133) 1.336 5.045 ( 2.555 0.653 -0.784) 2.751 5.129 ( 2.793 0.902 -0.712) 3.021 5.141 ( -0.754 -1.662 0.033) 1.825 5.213 ( -3.169 -1.303 1.430) 3.713 5.333 ( 0.482 -1.339 -0.738) 1.603 5.424 ( -0.387 -0.977 -0.503) 1.165 5.550 ( 0.523 -1.342 1.346) 1.972 5.599 ( 1.358 -0.517 -0.467) 1.526 5.795 ( 0.345 3.599 -0.085) 3.616 5.829 ( 0.166 3.150 0.330) 3.171 5.891 ( -0.361 1.196 0.566) 1.371 5.942 ( 1.196 1.885 -0.225) 2.243 6.120 ( -0.800 1.239 0.085) 1.477 6.141 ( -0.673 0.350 -0.084) 0.763 6.352 ( -0.620 -2.190 0.248) 2.290 6.394 ( 0.516 -1.425 -0.318) 1.549 7.319 ( -0.976 1.962 -0.025) 2.192 7.351 ( -0.606 2.364 -0.000) 2.440 7.884 ( 0.414 -3.163 -0.106) 3.191 7.892 ( 0.501 -3.045 0.105) 3.087 ======================= Grid point 98 (46/108) ======================= q-point: ( 0.00 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 1.766 10.636 5.020) 11.893 0.949 ( -0.500 6.255 -4.846) 7.929 1.026 ( -7.012 10.486 1.760) 12.736 1.123 ( 4.465 8.689 -0.633) 9.790 1.176 ( 5.803 7.857 0.278) 9.772 1.218 ( -4.980 6.040 0.768) 7.866 1.383 ( 0.284 0.839 0.916) 1.274 1.538 ( -1.127 -2.489 -3.017) 4.070 1.650 ( 2.167 2.047 0.589) 3.038 1.720 ( 0.973 -0.514 2.172) 2.435 1.783 ( -5.011 2.927 -2.652) 6.380 1.827 ( 0.123 0.715 0.414) 0.835 1.931 ( 1.850 -2.073 0.892) 2.919 2.008 ( -1.718 -3.887 2.717) 5.044 2.113 ( 2.665 -1.021 -1.373) 3.167 2.144 ( 0.105 -4.371 -2.094) 4.848 2.539 ( 0.991 3.940 1.122) 4.214 2.610 ( -0.743 3.694 -0.464) 3.797 2.921 ( -0.896 -2.849 0.528) 3.033 2.959 ( 0.667 -2.225 -0.428) 2.362 3.415 ( 0.574 3.412 0.589) 3.510 3.461 ( -0.559 4.117 -0.532) 4.188 3.666 ( 0.174 -4.440 0.347) 4.456 3.706 ( -0.330 -4.115 -0.605) 4.173 4.344 ( 1.283 6.279 2.700) 6.954 4.574 ( -1.435 2.868 -3.124) 4.477 4.744 ( -0.477 -3.336 1.166) 3.565 4.770 ( 0.781 -3.055 0.342) 3.172 5.064 ( 0.272 -0.553 -1.221) 1.368 5.113 ( 1.341 1.317 -1.496) 2.402 5.161 ( -2.300 -0.450 2.252) 3.250 5.206 ( 1.049 1.528 0.899) 2.060 5.303 ( 0.716 -1.363 0.425) 1.597 5.394 ( -0.676 0.301 -1.759) 1.908 5.541 ( -0.309 -1.305 1.143) 1.762 5.591 ( 0.154 -1.710 -0.333) 1.749 5.884 ( 0.315 4.193 0.022) 4.205 5.890 ( -0.473 3.313 -0.158) 3.351 5.922 ( 0.074 2.071 0.727) 2.196 5.980 ( -0.041 1.559 -0.793) 1.750 6.127 ( -0.512 0.840 0.418) 1.068 6.157 ( 0.338 0.778 -0.342) 0.915 6.300 ( 0.107 -2.794 0.657) 2.872 6.354 ( 0.019 -2.804 -0.644) 2.878 7.362 ( 0.201 3.124 0.404) 3.156 7.395 ( -0.172 3.160 -0.396) 3.190 7.816 ( 0.102 -4.439 0.103) 4.441 7.824 ( -0.107 -4.308 -0.113) 4.311 ======================= Grid point 99 (47/108) ======================= q-point: ( 0.14 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 5.634 9.220 5.558) 12.151 0.836 ( -3.394 8.427 -3.103) 9.600 0.968 ( -1.425 7.693 0.404) 7.834 1.102 ( -3.694 7.998 -1.940) 9.021 1.230 ( 4.302 3.875 -1.464) 5.972 1.296 ( 3.671 5.394 2.165) 6.874 1.386 ( -1.156 0.354 1.048) 1.600 1.466 ( -2.966 -0.739 -1.975) 3.639 1.600 ( -5.438 4.363 0.975) 7.039 1.646 ( -6.426 1.639 -2.419) 7.059 1.799 ( -0.017 -2.103 1.547) 2.611 1.834 ( 2.302 0.277 0.037) 2.319 1.943 ( 0.336 -1.110 1.748) 2.098 2.020 ( 0.218 -2.366 0.931) 2.552 2.128 ( 1.975 -3.369 -1.892) 4.339 2.199 ( 4.967 -4.536 -0.847) 6.779 2.561 ( -0.250 3.756 0.428) 3.789 2.602 ( 1.038 3.266 -0.137) 3.430 2.863 ( -5.166 -2.147 0.294) 5.602 2.939 ( -2.647 -2.119 -0.232) 3.398 3.440 ( 0.322 2.919 -0.044) 2.937 3.457 ( 1.753 3.919 0.132) 4.296 3.666 ( -0.675 -4.015 0.125) 4.073 3.701 ( 0.386 -4.817 -0.311) 4.842 4.426 ( 3.974 5.078 4.046) 7.612 4.520 ( -0.649 4.248 -4.490) 6.216 4.713 ( -2.492 -2.843 0.300) 3.793 4.802 ( 1.003 -3.362 0.954) 3.636 5.051 ( -0.442 -0.093 -1.081) 1.172 5.124 ( -1.968 1.708 0.125) 2.609 5.142 ( 1.767 0.034 -0.093) 1.770 5.227 ( -0.129 0.148 1.734) 1.745 5.336 ( 1.834 -1.063 0.905) 2.305 5.362 ( -0.568 0.287 -2.366) 2.450 5.533 ( -1.587 -1.365 1.035) 2.335 5.577 ( -1.389 -1.936 -0.466) 2.428 5.873 ( -1.000 3.415 -0.338) 3.575 5.888 ( -0.008 4.065 0.494) 4.095 5.932 ( 0.181 2.010 0.201) 2.028 5.967 ( -0.621 1.720 -0.455) 1.884 6.132 ( 0.813 0.604 0.072) 1.016 6.153 ( -0.589 0.570 0.129) 0.829 6.318 ( 1.049 -2.354 0.658) 2.660 6.347 ( 0.022 -2.813 -0.786) 2.921 7.377 ( 0.788 3.045 0.358) 3.166 7.395 ( 0.676 3.142 -0.361) 3.234 7.815 ( -0.372 -4.326 0.013) 4.342 7.818 ( -0.324 -4.268 -0.021) 4.281 ======================= Grid point 100 (48/108) ======================= q-point: ( 0.29 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 3.340 5.975 -2.046) 7.144 0.895 ( 5.088 7.891 3.035) 9.868 0.988 ( 2.990 5.729 1.294) 6.591 1.065 ( 2.596 5.478 -1.610) 6.272 1.248 ( -2.089 -0.681 -0.436) 2.240 1.323 ( -2.551 1.239 1.697) 3.305 1.343 ( -2.283 0.949 -0.235) 2.483 1.420 ( -2.648 1.358 0.261) 2.987 1.485 ( -6.326 4.170 -0.750) 7.613 1.527 ( -4.714 3.869 -0.813) 6.152 1.788 ( -1.771 -4.320 0.882) 4.751 1.869 ( 1.390 -1.459 1.614) 2.582 1.973 ( -0.391 -3.427 -1.883) 3.930 2.041 ( 3.060 -1.183 1.727) 3.708 2.155 ( 1.470 -4.106 -0.936) 4.460 2.273 ( 3.688 -5.694 -1.112) 6.875 2.553 ( 0.392 3.653 -0.721) 3.744 2.633 ( 1.475 2.825 0.319) 3.203 2.759 ( -5.986 -0.693 0.579) 6.054 2.866 ( -4.414 -0.663 -0.420) 4.483 3.451 ( 1.080 2.950 0.139) 3.144 3.497 ( 2.054 2.923 -0.219) 3.580 3.651 ( -0.898 -4.245 0.213) 4.344 3.707 ( 0.099 -6.012 0.041) 6.013 4.477 ( 0.652 4.902 -3.633) 6.136 4.546 ( 4.254 3.161 3.878) 6.567 4.679 ( -1.261 -1.246 0.227) 1.787 4.803 ( -1.350 -1.179 -0.375) 1.831 5.037 ( -0.407 -0.052 -0.428) 0.593 5.074 ( -2.784 2.625 0.033) 3.826 5.190 ( 3.040 -1.220 -0.634) 3.336 5.229 ( -1.168 0.003 1.661) 2.030 5.336 ( 0.631 -0.249 -2.272) 2.371 5.385 ( 1.972 -0.585 1.234) 2.399 5.505 ( -2.281 -1.840 0.960) 3.085 5.534 ( -2.450 -1.991 -0.760) 3.247 5.854 ( -0.650 3.319 -0.154) 3.385 5.892 ( -0.175 4.305 0.498) 4.337 5.926 ( -0.467 1.820 -0.673) 1.995 5.956 ( -0.558 2.205 0.434) 2.315 6.141 ( -0.763 0.219 0.555) 0.968 6.157 ( 1.601 0.003 -0.237) 1.619 6.332 ( -0.196 -2.178 0.028) 2.187 6.352 ( 1.105 -2.060 -0.276) 2.354 7.390 ( 0.625 2.930 -0.150) 3.000 7.415 ( 1.221 3.015 0.120) 3.255 7.804 ( -0.566 -3.948 -0.100) 3.989 7.813 ( -0.328 -4.297 0.102) 4.311 ======================= Grid point 101 (49/108) ======================= q-point: ( 0.43 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 5.108 5.610 0.134) 7.589 0.985 ( 3.388 4.299 0.310) 5.483 1.077 ( 3.729 0.462 0.808) 3.843 1.153 ( -0.146 0.035 -1.238) 1.247 1.164 ( -0.746 1.120 2.012) 2.421 1.250 ( -1.833 2.978 -0.517) 3.535 1.325 ( -0.736 0.468 -0.742) 1.145 1.344 ( -6.349 1.458 1.608) 6.710 1.408 ( -1.259 3.963 1.381) 4.381 1.458 ( -2.151 4.695 -0.621) 5.202 1.761 ( -1.365 -6.412 0.262) 6.561 1.903 ( -1.182 -5.380 -1.238) 5.646 1.933 ( 1.170 -1.468 -0.148) 1.883 2.115 ( 2.212 -2.336 -1.017) 3.374 2.153 ( -0.599 -4.460 1.098) 4.632 2.307 ( 1.279 -5.981 -1.641) 6.333 2.576 ( 2.612 2.248 -0.315) 3.460 2.632 ( -2.220 2.009 -0.491) 3.034 2.695 ( -1.050 1.475 1.565) 2.394 2.792 ( -2.460 1.619 -0.664) 3.018 3.471 ( 0.500 3.066 0.401) 3.132 3.523 ( 1.236 2.614 -0.926) 3.036 3.641 ( -0.605 -5.119 0.877) 5.229 3.703 ( -0.243 -7.111 -0.296) 7.122 4.484 ( 2.283 4.618 -0.718) 5.201 4.628 ( 0.495 0.985 1.777) 2.091 4.669 ( -0.415 0.527 0.123) 0.682 4.761 ( -1.021 2.119 -1.017) 2.562 5.014 ( -1.709 0.304 0.216) 1.749 5.047 ( 0.484 2.455 -1.272) 2.807 5.205 ( -1.985 -1.343 1.516) 2.836 5.241 ( 2.080 -0.378 -0.908) 2.301 5.351 ( 2.339 -1.087 -0.715) 2.677 5.418 ( -0.161 0.189 0.448) 0.512 5.470 ( -2.103 -2.246 0.975) 3.227 5.492 ( -0.643 -2.585 -0.518) 2.714 5.849 ( 0.001 3.206 0.174) 3.211 5.888 ( -0.435 4.549 -0.048) 4.570 5.916 ( -0.057 2.351 0.115) 2.355 5.950 ( -0.280 2.072 0.013) 2.091 6.133 ( -0.702 0.106 0.737) 1.023 6.180 ( 1.031 -0.711 -0.589) 1.384 6.327 ( -0.198 -1.766 0.271) 1.798 6.365 ( 0.523 -1.626 -0.421) 1.759 7.400 ( 0.451 2.833 0.141) 2.872 7.431 ( 0.397 2.918 -0.172) 2.949 7.796 ( -0.178 -3.781 0.051) 3.785 7.808 ( -0.232 -4.185 -0.040) 4.192 ======================= Grid point 102 (50/108) ======================= q-point: (-0.43 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -4.115 6.757 1.450) 8.043 0.975 ( -8.992 1.767 -0.167) 9.166 1.033 ( 0.434 2.038 -0.183) 2.092 1.124 ( 1.493 1.446 -0.053) 2.079 1.224 ( -1.119 1.188 0.546) 1.720 1.249 ( 1.430 1.029 0.033) 1.762 1.332 ( 1.747 -0.673 -0.033) 1.872 1.347 ( 5.625 3.610 2.405) 7.103 1.432 ( 1.104 2.942 -2.078) 3.767 1.459 ( 4.408 3.361 2.175) 5.954 1.752 ( 0.186 -6.351 0.565) 6.378 1.847 ( -1.365 -4.105 -2.548) 5.021 1.983 ( 1.995 -2.390 1.291) 3.371 2.066 ( -3.796 -2.079 -2.022) 4.777 2.179 ( 0.307 -4.976 0.965) 5.078 2.293 ( -0.929 -4.917 -2.002) 5.390 2.579 ( -1.899 2.700 -0.244) 3.310 2.645 ( 3.402 -0.043 -0.668) 3.468 2.687 ( -0.885 2.839 1.754) 3.452 2.796 ( 3.231 1.569 -0.548) 3.633 3.471 ( -0.829 2.909 0.408) 3.052 3.520 ( -0.729 3.043 -0.990) 3.282 3.646 ( 0.197 -6.031 1.077) 6.129 3.699 ( 0.306 -6.530 -0.488) 6.555 4.534 ( -0.319 3.934 0.274) 3.956 4.571 ( -1.836 3.134 -0.189) 3.637 4.671 ( -0.408 0.747 1.108) 1.397 4.768 ( 1.088 0.432 -0.948) 1.506 5.001 ( 0.527 0.818 -0.278) 1.012 5.058 ( 1.880 2.711 -0.960) 3.436 5.176 ( -1.963 -1.514 0.528) 2.535 5.259 ( 0.066 -0.850 -0.003) 0.853 5.376 ( -2.002 -0.918 -0.912) 2.384 5.396 ( 1.058 -0.282 0.679) 1.288 5.458 ( 0.294 -2.914 0.441) 2.962 5.511 ( 1.983 -1.790 0.178) 2.678 5.857 ( 0.455 3.165 0.587) 3.251 5.877 ( -0.354 4.719 -0.518) 4.760 5.929 ( 1.017 2.647 0.625) 2.903 5.944 ( -0.233 1.918 -0.350) 1.964 6.129 ( -0.329 -0.003 0.587) 0.673 6.180 ( -0.383 -0.643 -0.506) 0.903 6.330 ( 0.020 -1.890 0.363) 1.925 6.363 ( -0.220 -1.486 -0.514) 1.588 7.405 ( -0.257 2.817 0.366) 2.853 7.425 ( -0.569 2.929 -0.397) 3.010 7.799 ( 0.346 -3.822 0.174) 3.841 7.806 ( 0.067 -4.139 -0.161) 4.143 ======================= Grid point 103 (51/108) ======================= q-point: (-0.29 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -9.293 7.717 -2.087) 12.258 0.856 ( -3.025 9.300 1.248) 9.859 1.030 ( -1.133 3.622 2.039) 4.308 1.132 ( -1.469 2.667 0.854) 3.162 1.248 ( 3.209 4.338 -0.154) 5.398 1.320 ( 3.859 -1.753 0.333) 4.252 1.337 ( -1.475 0.647 0.602) 1.720 1.403 ( 1.090 3.773 -0.908) 4.031 1.495 ( 6.193 0.962 -2.109) 6.613 1.592 ( 6.983 2.042 2.348) 7.645 1.781 ( 1.355 -4.380 2.103) 5.043 1.825 ( 0.928 -2.415 -0.992) 2.771 1.970 ( -4.659 -0.143 -1.270) 4.831 2.014 ( 0.205 -2.675 0.706) 2.774 2.166 ( -1.780 -5.824 -0.483) 6.109 2.246 ( -2.230 -3.426 -1.692) 4.424 2.548 ( -1.053 3.697 -0.900) 3.948 2.638 ( -1.446 2.997 0.437) 3.356 2.768 ( 5.888 -0.590 0.814) 5.973 2.867 ( 4.327 -0.560 -0.480) 4.389 3.457 ( -0.995 2.852 0.429) 3.050 3.484 ( -1.941 3.145 -0.634) 3.750 3.660 ( 0.343 -5.338 0.402) 5.364 3.706 ( 0.535 -5.142 0.009) 5.169 4.426 ( -5.338 5.549 -1.916) 7.934 4.640 ( 1.111 2.739 4.190) 5.128 4.667 ( 0.788 -0.447 -0.490) 1.030 4.763 ( 0.097 -1.417 -1.816) 2.305 5.024 ( 2.138 0.902 -0.599) 2.396 5.100 ( 2.547 2.621 0.403) 3.677 5.145 ( -1.096 -1.485 -0.868) 2.039 5.236 ( -2.694 -0.970 0.907) 3.004 5.335 ( -1.146 -0.458 -1.329) 1.814 5.410 ( -0.145 -0.978 0.985) 1.396 5.490 ( 2.109 -1.988 0.338) 2.918 5.549 ( 2.016 -1.614 -0.131) 2.586 5.867 ( 0.225 4.353 -0.281) 4.368 5.877 ( 0.624 3.489 0.551) 3.587 5.933 ( -0.366 2.052 -0.542) 2.154 5.958 ( 1.268 2.331 0.571) 2.715 6.133 ( 0.374 0.046 0.216) 0.434 6.162 ( -1.235 -0.007 0.028) 1.236 6.325 ( -0.787 -2.354 -0.141) 2.486 6.357 ( -0.004 -1.781 -0.137) 1.787 7.391 ( -1.313 2.927 -0.142) 3.211 7.413 ( -0.537 3.003 0.102) 3.052 7.807 ( 0.296 -4.218 -0.130) 4.230 7.811 ( 0.600 -4.016 0.139) 4.063 ======================= Grid point 104 (52/108) ======================= q-point: (-0.14 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -5.350 10.133 0.765) 11.484 0.885 ( 4.668 13.299 1.101) 14.137 1.056 ( 2.122 4.162 1.655) 4.956 1.111 ( 0.036 5.539 -2.172) 5.950 1.204 ( -6.369 6.307 -2.008) 9.186 1.298 ( -4.423 4.035 2.458) 6.472 1.362 ( 1.483 0.846 0.011) 1.708 1.498 ( 7.260 1.406 1.285) 7.506 1.561 ( 3.858 -1.038 -3.205) 5.122 1.716 ( 3.339 2.292 0.648) 4.102 1.804 ( -0.507 -2.275 2.488) 3.409 1.870 ( 3.651 -2.770 -0.226) 4.589 1.881 ( -4.191 2.670 -0.543) 4.999 2.012 ( -0.891 -3.455 1.641) 3.928 2.118 ( -1.644 -4.987 -1.788) 5.548 2.189 ( -2.414 -2.503 -1.415) 3.754 2.528 ( -0.284 4.247 -0.388) 4.274 2.623 ( -0.707 3.700 0.412) 3.790 2.877 ( 4.619 -2.090 0.666) 5.114 2.931 ( 2.830 -1.902 -0.486) 3.444 3.427 ( -1.809 3.215 -0.183) 3.693 3.467 ( -0.084 3.719 0.218) 3.726 3.663 ( -0.005 -4.558 0.001) 4.558 3.713 ( 0.053 -4.407 0.009) 4.408 4.343 ( -2.525 6.457 0.153) 6.935 4.623 ( -1.971 1.666 -0.609) 2.652 4.719 ( 1.675 -1.448 1.010) 2.434 4.759 ( 0.668 -2.372 -0.089) 2.466 5.058 ( 1.944 0.721 -1.332) 2.464 5.111 ( -0.973 -1.108 0.447) 1.541 5.159 ( 2.492 1.739 -0.630) 3.103 5.196 ( -2.258 0.125 1.600) 2.771 5.307 ( -0.915 -1.252 -0.506) 1.631 5.412 ( -0.122 -0.180 -0.425) 0.477 5.525 ( 1.039 -1.419 0.888) 1.970 5.579 ( 1.394 -1.615 -0.331) 2.159 5.873 ( 0.738 4.378 -0.188) 4.443 5.892 ( 0.258 3.274 0.360) 3.304 5.923 ( -0.433 1.986 0.014) 2.033 5.979 ( 0.637 1.943 -0.135) 2.050 6.140 ( -1.223 0.679 0.454) 1.470 6.146 ( 0.957 0.342 -0.217) 1.039 6.306 ( -1.010 -2.640 0.120) 2.830 6.357 ( 0.107 -2.431 -0.311) 2.453 7.367 ( -0.921 3.066 0.003) 3.201 7.404 ( -0.520 3.102 -0.025) 3.145 7.811 ( 0.291 -4.349 -0.050) 4.359 7.822 ( 0.400 -4.236 0.048) 4.255 ======================= Grid point 105 (53/108) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 1.821 11.278 2.565) 11.709 1.034 ( -2.480 4.050 -3.567) 5.939 1.188 ( -2.874 6.509 1.502) 7.272 1.255 ( 2.636 4.168 -0.380) 4.947 1.310 ( 3.389 5.720 1.328) 6.780 1.333 ( -3.110 4.843 1.271) 5.894 1.360 ( 0.143 -2.459 0.214) 2.472 1.442 ( 0.307 -6.778 -1.213) 6.893 1.688 ( 3.263 1.490 0.381) 3.607 1.721 ( -2.550 0.567 1.967) 3.270 1.793 ( -3.291 -0.690 -1.935) 3.880 1.834 ( 2.758 -0.620 -0.147) 2.831 1.915 ( -2.117 -0.950 0.642) 2.407 1.978 ( 1.202 1.530 2.237) 2.965 2.044 ( 2.123 -4.384 -2.204) 5.346 2.104 ( -0.966 -1.302 -0.235) 1.638 2.631 ( 0.891 5.348 0.110) 5.422 2.689 ( -0.759 4.324 -0.889) 4.479 2.869 ( -0.732 -2.531 0.616) 2.706 2.921 ( 0.493 -2.044 -0.759) 2.236 3.477 ( 0.403 2.880 0.722) 2.996 3.536 ( -0.447 3.422 -0.748) 3.531 3.594 ( 0.363 -2.884 0.454) 2.942 3.640 ( -0.386 -2.684 -0.664) 2.792 4.457 ( 0.813 5.257 1.809) 5.619 4.603 ( -0.698 0.443 -1.689) 1.881 4.676 ( -0.411 -3.616 0.444) 3.666 4.703 ( 0.432 -3.705 -0.523) 3.766 5.067 ( -0.459 0.817 0.195) 0.957 5.131 ( 0.727 -0.458 1.309) 1.565 5.168 ( -0.880 2.166 -0.079) 2.340 5.238 ( 0.525 1.294 -0.520) 1.490 5.305 ( 0.743 1.816 0.922) 2.168 5.411 ( -0.431 1.322 -1.401) 1.974 5.506 ( -0.177 -2.411 0.807) 2.549 5.548 ( 0.060 -2.686 -0.286) 2.702 5.949 ( -0.279 2.741 -0.061) 2.756 5.962 ( 0.539 3.218 -0.156) 3.267 5.963 ( -0.208 2.511 0.333) 2.542 6.010 ( -0.236 1.606 -0.687) 1.762 6.140 ( -0.468 0.555 0.333) 0.799 6.165 ( 0.326 0.088 -0.307) 0.456 6.246 ( 0.369 -2.655 0.584) 2.743 6.291 ( -0.232 -3.630 -0.523) 3.675 7.432 ( 0.168 4.142 0.376) 4.162 7.463 ( -0.137 3.890 -0.370) 3.910 7.722 ( 0.041 -5.199 0.142) 5.201 7.734 ( -0.051 -4.998 -0.147) 5.000 ======================= Grid point 106 (54/108) ======================= q-point: ( 0.14 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 3.773 8.945 3.343) 10.268 0.960 ( -0.851 6.025 -3.232) 6.890 1.139 ( -2.916 8.734 1.732) 9.370 1.236 ( -4.316 2.377 0.244) 4.933 1.280 ( -1.335 3.913 -1.570) 4.422 1.356 ( -0.926 -1.088 0.901) 1.689 1.397 ( 0.925 2.651 1.214) 3.058 1.426 ( 0.684 -2.699 -1.222) 3.041 1.669 ( -2.857 2.482 0.476) 3.815 1.677 ( -5.728 1.543 -1.116) 6.036 1.749 ( -1.280 -2.155 1.953) 3.177 1.860 ( -0.216 1.420 -0.953) 1.724 1.899 ( 0.541 -3.343 1.334) 3.640 2.002 ( -1.042 0.257 1.279) 1.669 2.048 ( 1.382 -4.865 -1.878) 5.395 2.121 ( 2.364 -3.275 -0.362) 4.055 2.641 ( -0.683 4.195 -0.184) 4.254 2.671 ( 0.504 3.805 -0.592) 3.884 2.825 ( -4.138 -1.789 0.559) 4.543 2.898 ( -2.153 -2.200 -0.579) 3.133 3.490 ( -0.197 2.271 0.257) 2.294 3.522 ( 0.393 2.623 -0.164) 2.657 3.606 ( -0.158 -2.134 0.437) 2.184 3.622 ( -0.512 -3.287 -0.701) 3.399 4.516 ( 3.061 4.078 2.526) 5.691 4.578 ( 0.120 1.908 -2.714) 3.320 4.663 ( -0.677 -2.284 -0.170) 2.389 4.732 ( 2.431 -3.814 0.181) 4.526 5.059 ( -0.709 0.996 0.222) 1.243 5.132 ( -1.917 -0.482 2.121) 2.900 5.172 ( 1.638 2.466 -1.452) 3.297 5.233 ( -0.597 0.322 0.158) 0.696 5.335 ( 1.145 1.133 1.514) 2.211 5.381 ( -1.000 1.606 -2.065) 2.801 5.496 ( -1.642 -2.445 0.813) 3.055 5.533 ( -1.320 -2.513 -0.429) 2.871 5.934 ( -0.980 2.844 -0.251) 3.019 5.964 ( 0.027 3.064 0.429) 3.095 5.969 ( 0.188 2.385 -0.236) 2.404 6.000 ( -0.187 1.712 -0.417) 1.772 6.140 ( 0.354 0.278 -0.085) 0.458 6.163 ( -0.457 0.553 0.370) 0.807 6.272 ( 1.387 -2.492 0.655) 2.927 6.285 ( 0.330 -3.589 -0.845) 3.702 7.445 ( 0.607 3.954 0.330) 4.014 7.462 ( 0.566 3.879 -0.338) 3.935 7.724 ( -0.056 -5.096 0.196) 5.100 7.730 ( -0.256 -4.863 -0.199) 4.874 ======================= Grid point 107 (55/108) ======================= q-point: ( 0.29 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 1.485 6.058 -1.393) 6.391 1.040 ( 3.633 7.058 2.136) 8.220 1.120 ( -0.785 7.505 1.866) 7.773 1.175 ( -0.967 3.765 0.034) 3.888 1.222 ( -3.295 0.566 -1.598) 3.706 1.339 ( -1.908 -0.735 1.595) 2.594 1.366 ( -1.998 1.078 -0.982) 2.474 1.454 ( 0.680 2.278 0.054) 2.378 1.530 ( -6.324 2.308 -3.325) 7.508 1.634 ( -3.134 4.050 1.523) 5.343 1.713 ( -4.287 -1.765 2.260) 5.158 1.835 ( -1.634 -2.158 1.218) 2.968 1.913 ( -0.047 -2.620 -2.931) 3.931 2.000 ( 1.203 -3.345 1.440) 3.836 2.063 ( 0.558 -5.107 -0.449) 5.157 2.157 ( 1.832 -5.910 -0.574) 6.214 2.617 ( -0.635 2.962 -0.884) 3.156 2.685 ( 0.413 2.325 -0.178) 2.368 2.748 ( -4.220 -0.264 1.166) 4.386 2.843 ( -2.924 -1.646 -0.500) 3.393 3.490 ( 0.502 1.137 0.167) 1.254 3.532 ( 0.471 0.670 -0.560) 0.993 3.591 ( -1.147 -2.261 0.162) 2.541 3.614 ( -0.651 -3.169 0.267) 3.246 4.556 ( 0.829 3.434 -2.223) 4.174 4.605 ( 3.229 2.860 2.179) 4.833 4.662 ( 0.683 -0.429 0.076) 0.810 4.775 ( 1.893 -1.937 -0.342) 2.729 5.044 ( -1.322 0.850 0.462) 1.638 5.112 ( -1.417 0.739 0.729) 1.757 5.185 ( 0.542 0.991 -0.697) 1.327 5.226 ( -0.134 -0.251 0.307) 0.419 5.348 ( -0.522 1.242 -1.686) 2.158 5.370 ( 1.439 -0.388 1.200) 1.914 5.464 ( -2.481 -2.409 0.808) 3.551 5.495 ( -2.264 -2.129 -0.763) 3.200 5.917 ( -0.713 2.986 0.083) 3.071 5.957 ( -0.360 1.476 -0.381) 1.566 5.975 ( 0.283 3.828 -0.101) 3.840 5.996 ( -0.398 1.992 0.370) 2.064 6.147 ( 0.324 0.363 -0.141) 0.506 6.161 ( 0.059 0.812 0.445) 0.928 6.283 ( 0.235 -2.898 -0.106) 2.910 6.306 ( 1.537 -2.738 -0.123) 3.142 7.454 ( 0.461 3.785 -0.098) 3.814 7.478 ( 1.023 3.615 0.063) 3.757 7.723 ( -0.242 -4.464 -0.119) 4.472 7.724 ( -0.173 -4.962 0.129) 4.967 ======================= Grid point 108 (56/108) ======================= q-point: ( 0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 3.574 3.402 0.742) 4.989 1.073 ( 0.184 4.427 0.187) 4.434 1.132 ( -0.694 5.517 0.860) 5.627 1.144 ( -3.455 -0.061 1.469) 3.755 1.221 ( 3.824 3.558 -1.370) 5.400 1.312 ( -2.942 0.153 -1.438) 3.278 1.328 ( -0.730 2.317 1.227) 2.722 1.393 ( -2.544 4.362 -0.437) 5.069 1.481 ( 1.904 3.294 -2.094) 4.343 1.589 ( -3.267 6.557 1.015) 7.396 1.645 ( -3.632 -4.439 1.182) 5.856 1.809 ( -2.005 -3.735 -1.328) 4.442 1.896 ( 1.468 -2.246 -0.329) 2.703 2.044 ( 1.560 -5.029 -1.679) 5.526 2.055 ( -1.074 -5.724 2.311) 6.265 2.176 ( 0.787 -7.421 -0.480) 7.478 2.611 ( 0.674 1.622 -0.413) 1.804 2.661 ( -1.671 0.917 -0.732) 2.042 2.721 ( -0.782 1.132 1.485) 2.025 2.798 ( -1.162 -0.804 -0.578) 1.527 3.508 ( 0.698 0.576 0.391) 0.986 3.531 ( 0.355 -1.598 -0.729) 1.792 3.577 ( -0.260 -2.115 0.181) 2.139 3.598 ( -1.292 -2.869 0.232) 3.155 4.567 ( 1.655 4.082 -0.099) 4.406 4.661 ( 0.607 2.179 0.705) 2.369 4.682 ( 0.721 0.838 0.704) 1.310 4.789 ( 0.517 0.543 -1.231) 1.441 5.022 ( -1.407 0.763 0.817) 1.797 5.102 ( 0.689 1.948 -1.098) 2.340 5.172 ( -2.111 -1.025 1.245) 2.656 5.238 ( 1.443 -0.153 -0.948) 1.733 5.339 ( 0.706 0.173 -0.425) 0.842 5.400 ( 0.169 -1.861 0.394) 1.910 5.433 ( -1.567 -1.627 0.724) 2.372 5.446 ( -1.139 -2.147 -0.884) 2.586 5.911 ( -0.181 3.070 0.485) 3.113 5.954 ( 0.173 1.460 0.042) 1.471 5.974 ( -0.026 3.706 -0.458) 3.734 5.991 ( -0.398 2.352 0.324) 2.408 6.147 ( -0.403 1.403 0.360) 1.503 6.169 ( 0.516 -0.125 -0.372) 0.648 6.288 ( 0.093 -2.392 0.366) 2.421 6.324 ( 0.682 -2.666 -0.365) 2.776 7.462 ( 0.347 3.636 0.152) 3.656 7.491 ( 0.341 3.416 -0.186) 3.438 7.719 ( -0.047 -4.342 -0.031) 4.343 7.721 ( -0.153 -4.652 0.052) 4.655 ======================= Grid point 109 (57/108) ======================= q-point: (-0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -2.719 1.942 2.383) 4.104 1.071 ( -3.559 7.982 -0.629) 8.763 1.085 ( 1.546 2.971 -0.020) 3.349 1.149 ( -0.660 0.906 1.553) 1.915 1.222 ( 1.077 1.130 -1.639) 2.264 1.288 ( 1.941 1.669 -0.491) 2.606 1.333 ( 0.819 0.627 0.067) 1.034 1.445 ( 3.800 4.723 0.265) 6.067 1.517 ( 3.725 4.510 -0.882) 5.915 1.525 ( -1.331 3.913 -1.394) 4.362 1.642 ( 1.203 -4.044 2.343) 4.826 1.767 ( 0.167 -3.491 -2.442) 4.264 1.939 ( 1.919 -2.157 0.770) 2.988 2.009 ( -2.076 -3.600 -0.795) 4.231 2.073 ( -0.226 -5.782 0.783) 5.840 2.179 ( -0.151 -7.010 -0.389) 7.022 2.623 ( -0.080 1.806 -0.177) 1.817 2.652 ( 2.313 0.786 -0.894) 2.601 2.720 ( -0.425 0.884 1.467) 1.765 2.799 ( 1.809 -1.010 -0.556) 2.146 3.503 ( -0.928 0.494 0.157) 1.064 3.547 ( 1.605 -1.393 -0.638) 2.219 3.564 ( -1.557 -1.228 0.358) 2.015 3.599 ( 1.364 -3.635 0.204) 3.888 4.611 ( 1.621 3.471 1.639) 4.167 4.627 ( -3.246 3.084 -0.880) 4.563 4.690 ( -0.914 1.110 1.072) 1.793 4.779 ( -0.469 0.379 -1.576) 1.687 5.018 ( 0.425 1.086 0.616) 1.318 5.120 ( 2.418 1.609 -1.712) 3.371 5.139 ( -2.370 -0.536 1.400) 2.805 5.247 ( -0.033 -0.523 -0.546) 0.756 5.354 ( -0.097 -0.890 -0.055) 0.897 5.388 ( -0.945 -0.631 -0.414) 1.210 5.406 ( 0.967 -2.239 0.321) 2.460 5.471 ( 2.195 -2.372 0.002) 3.231 5.919 ( 0.350 2.982 0.820) 3.113 5.956 ( -0.046 2.237 -0.475) 2.287 5.977 ( 0.678 2.990 0.330) 3.084 5.986 ( -0.228 2.464 -0.122) 2.477 6.141 ( -0.379 1.400 0.160) 1.459 6.171 ( -0.037 -0.146 -0.245) 0.288 6.289 ( -0.437 -2.390 0.385) 2.460 6.324 ( -0.246 -2.559 -0.364) 2.597 7.467 ( -0.216 3.574 0.345) 3.597 7.487 ( -0.446 3.486 -0.379) 3.534 7.719 ( -0.050 -4.680 -0.040) 4.680 7.721 ( 0.245 -4.315 0.065) 4.322 ======================= Grid point 110 (58/108) ======================= q-point: (-0.29 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -5.986 7.892 -1.768) 10.062 1.031 ( 0.970 7.835 2.070) 8.162 1.104 ( -0.808 4.837 1.405) 5.101 1.180 ( 2.511 1.584 0.718) 3.054 1.267 ( 3.124 -2.257 0.520) 3.889 1.325 ( 1.756 2.545 -0.589) 3.148 1.356 ( 1.084 0.647 -0.319) 1.302 1.439 ( -0.633 -0.775 -0.699) 1.221 1.536 ( 3.831 3.999 -4.068) 6.871 1.639 ( 6.367 2.540 2.565) 7.320 1.707 ( 2.794 -2.924 2.702) 4.864 1.782 ( 3.035 -1.874 -1.700) 3.951 1.947 ( -1.205 -2.173 -0.299) 2.503 1.981 ( -0.689 -0.753 -0.005) 1.020 2.059 ( -1.321 -4.997 -0.219) 5.173 2.163 ( -1.122 -5.123 -0.372) 5.257 2.618 ( 0.387 3.475 -1.026) 3.644 2.688 ( 1.039 2.282 0.141) 2.511 2.757 ( 3.351 -0.650 1.288) 3.648 2.845 ( 3.301 -1.636 -0.545) 3.724 3.494 ( -0.370 1.107 0.349) 1.218 3.526 ( -1.192 1.046 -0.762) 1.759 3.584 ( 1.493 -2.391 0.107) 2.821 3.626 ( 1.060 -3.143 0.416) 3.343 4.533 ( -4.384 5.308 -1.262) 6.999 4.665 ( 1.095 0.183 2.644) 2.868 4.667 ( -1.980 0.450 0.218) 2.042 4.743 ( -1.634 -1.066 -1.690) 2.582 5.044 ( 1.818 1.186 0.184) 2.179 5.108 ( -1.877 -1.353 1.385) 2.696 5.162 ( 3.147 2.689 -1.571) 4.428 5.230 ( -1.434 0.013 0.252) 1.456 5.326 ( -1.393 0.019 -0.999) 1.714 5.396 ( 1.003 -0.359 0.608) 1.227 5.450 ( 2.559 -2.193 0.239) 3.379 5.508 ( 1.946 -2.584 -0.215) 3.242 5.936 ( 0.641 2.818 0.851) 3.013 5.949 ( 0.030 3.016 -0.639) 3.083 5.975 ( -0.371 2.670 -0.348) 2.718 6.001 ( 0.979 2.045 0.483) 2.319 6.139 ( 0.201 0.761 -0.160) 0.803 6.165 ( -0.625 0.417 0.339) 0.824 6.276 ( -1.032 -2.759 -0.215) 2.953 6.313 ( -0.682 -2.725 0.016) 2.809 7.455 ( -1.080 3.772 -0.085) 3.925 7.477 ( -0.403 3.646 0.041) 3.669 7.719 ( 0.050 -4.838 -0.049) 4.838 7.728 ( 0.359 -4.591 0.068) 4.605 ======================= Grid point 111 (59/108) ======================= q-point: (-0.14 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -2.951 10.993 -0.267) 11.386 1.089 ( -1.253 5.107 -0.755) 5.313 1.119 ( 5.085 6.761 3.319) 9.088 1.226 ( 2.457 4.694 -1.096) 5.410 1.299 ( -1.209 3.033 -1.239) 3.492 1.332 ( 0.876 -1.199 1.445) 2.072 1.367 ( -0.201 1.184 0.931) 1.520 1.440 ( 0.660 -6.422 -0.948) 6.525 1.596 ( 5.528 3.787 -1.406) 6.847 1.748 ( 0.610 0.563 1.724) 1.914 1.765 ( 3.105 -1.332 1.740) 3.800 1.822 ( 1.915 -2.026 -1.524) 3.178 1.940 ( 0.322 1.554 1.792) 2.394 1.953 ( -1.695 -1.371 -0.892) 2.356 2.035 ( -0.030 -3.306 -1.396) 3.589 2.135 ( -1.658 -3.103 -0.168) 3.522 2.619 ( 0.635 5.059 -0.783) 5.158 2.699 ( 0.082 3.987 0.134) 3.990 2.836 ( 3.328 -2.206 0.862) 4.084 2.897 ( 2.641 -1.802 -0.709) 3.275 3.480 ( -1.000 2.245 0.008) 2.458 3.526 ( 1.209 1.975 -0.030) 2.315 3.596 ( -0.176 -1.930 -0.064) 1.939 3.642 ( 0.436 -2.891 0.027) 2.924 4.463 ( -2.334 5.775 0.089) 6.229 4.632 ( -1.486 -0.157 -0.421) 1.553 4.685 ( -0.987 -2.329 0.877) 2.677 4.708 ( -0.315 -2.750 -0.707) 2.857 5.071 ( 0.534 0.584 -0.316) 0.852 5.103 ( 0.272 0.023 1.682) 1.704 5.189 ( -0.291 1.458 -0.631) 1.615 5.219 ( 1.086 1.479 0.034) 1.835 5.301 ( -0.579 1.241 -0.284) 1.399 5.416 ( 0.745 0.562 -0.329) 0.990 5.490 ( 1.302 -2.323 0.570) 2.724 5.537 ( 1.331 -2.702 -0.252) 3.023 5.949 ( 0.251 2.789 0.058) 2.800 5.951 ( 0.414 2.715 -0.023) 2.747 5.967 ( -0.181 3.077 -0.163) 3.086 6.015 ( 0.213 1.765 -0.036) 1.778 6.145 ( 0.220 0.170 -0.090) 0.293 6.158 ( -0.101 0.732 0.376) 0.829 6.253 ( -1.048 -2.844 -0.152) 3.035 6.301 ( -0.587 -3.286 -0.081) 3.339 7.436 ( -0.759 4.071 0.021) 4.141 7.470 ( -0.389 3.781 -0.047) 3.801 7.720 ( 0.084 -5.080 0.033) 5.080 7.733 ( 0.214 -4.884 -0.028) 4.889 ======================= Grid point 112 (60/108) ======================= q-point: ( 0.00 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 1.233 10.954 1.007) 11.069 1.126 ( -2.271 5.586 -1.659) 6.254 1.237 ( -1.829 -4.810 -0.593) 5.180 1.240 ( 0.349 -8.633 0.449) 8.652 1.292 ( -0.746 2.966 1.139) 3.263 1.337 ( 2.393 -1.853 1.531) 3.391 1.402 ( 1.500 3.124 1.502) 3.777 1.418 ( 0.276 1.615 1.486) 2.212 1.709 ( 1.142 0.966 0.110) 1.500 1.726 ( -1.286 -0.465 0.779) 1.574 1.787 ( -1.061 0.546 -1.000) 1.557 1.811 ( 1.088 -1.597 0.327) 1.960 1.914 ( -0.287 1.213 -1.396) 1.872 1.958 ( 1.396 -3.230 -2.564) 4.354 2.033 ( -0.604 2.321 1.817) 3.009 2.074 ( -0.801 -1.872 1.104) 2.316 2.729 ( 0.550 4.443 -0.785) 4.545 2.763 ( -0.371 2.413 -1.769) 3.015 2.828 ( -0.469 -0.991 1.062) 1.526 2.869 ( 0.085 -3.339 -0.480) 3.375 3.523 ( 0.407 1.895 0.693) 2.059 3.554 ( 0.686 -1.549 0.435) 1.749 3.585 ( -0.683 1.599 -0.703) 1.876 3.606 ( -0.407 -1.022 -0.677) 1.292 4.542 ( 0.453 3.717 0.725) 3.814 4.605 ( -0.024 -1.628 -0.305) 1.656 4.613 ( -0.198 -1.105 -0.362) 1.179 4.640 ( -0.002 -2.579 -0.748) 2.685 5.088 ( -0.632 1.214 1.442) 1.988 5.112 ( -0.489 -1.204 1.994) 2.380 5.217 ( 0.390 2.373 -0.787) 2.530 5.247 ( 0.524 -0.532 -0.985) 1.236 5.367 ( 0.214 4.265 0.748) 4.335 5.440 ( -0.404 0.356 -0.770) 0.939 5.450 ( 0.251 -2.029 0.539) 2.114 5.492 ( 0.182 -2.985 -0.348) 3.011 5.988 ( -0.160 1.145 0.182) 1.170 5.990 ( 0.049 0.817 0.385) 0.904 6.023 ( 0.070 2.182 -0.673) 2.284 6.035 ( -0.226 0.699 -0.647) 0.979 6.154 ( -0.313 1.046 -0.379) 1.156 6.165 ( 0.438 -0.029 -0.584) 0.730 6.205 ( 0.397 -1.327 0.768) 1.584 6.223 ( -0.511 -3.071 0.204) 3.120 7.520 ( 0.109 4.941 0.276) 4.950 7.544 ( -0.075 4.527 -0.321) 4.539 7.620 ( 0.030 -5.327 0.231) 5.332 7.637 ( -0.050 -5.013 -0.192) 5.017 ======================= Grid point 113 (61/108) ======================= q-point: ( 0.14 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -1.935 6.474 -0.290) 6.763 1.101 ( 2.619 8.065 0.718) 8.510 1.183 ( -3.163 -4.759 0.493) 5.736 1.253 ( 0.100 -4.984 0.290) 4.994 1.291 ( -0.299 4.058 1.340) 4.284 1.368 ( -0.042 -1.376 -0.569) 1.490 1.403 ( -1.702 3.027 0.548) 3.516 1.440 ( -0.123 0.327 1.659) 1.696 1.691 ( -3.209 0.294 -0.326) 3.239 1.696 ( -2.359 -0.034 0.644) 2.446 1.749 ( -1.886 2.704 0.317) 3.312 1.824 ( 0.154 -4.323 -0.027) 4.326 1.888 ( -1.172 1.962 -1.382) 2.670 1.948 ( -0.359 -4.295 -2.401) 4.933 2.031 ( -1.376 1.789 1.634) 2.786 2.070 ( -0.612 -2.247 0.900) 2.496 2.711 ( -1.820 2.965 -0.833) 3.578 2.735 ( -0.795 1.665 -1.393) 2.312 2.803 ( -2.804 0.332 0.965) 2.984 2.848 ( -1.843 -3.048 -0.283) 3.573 3.529 ( -0.835 1.935 0.327) 2.132 3.557 ( -0.517 0.907 0.490) 1.153 3.570 ( -0.496 -1.660 -0.841) 1.926 3.582 ( -0.883 -1.032 -0.212) 1.374 4.582 ( 2.660 2.859 1.012) 4.034 4.604 ( 0.779 0.930 -1.180) 1.692 4.629 ( 1.644 -1.062 -0.359) 1.990 4.660 ( 3.028 -3.459 -0.386) 4.613 5.085 ( -1.134 1.535 1.349) 2.337 5.113 ( -1.303 -1.371 2.097) 2.823 5.217 ( 0.473 1.841 -0.945) 2.123 5.236 ( -0.652 -0.189 -0.817) 1.062 5.375 ( -0.437 2.807 0.917) 2.985 5.416 ( -1.284 0.972 -0.819) 1.807 5.447 ( -1.073 -1.614 0.389) 1.976 5.481 ( -0.939 -2.855 -0.384) 3.030 5.977 ( -0.952 1.446 -0.056) 1.732 5.987 ( -0.717 0.337 0.159) 0.808 6.023 ( 0.437 1.728 -0.322) 1.811 6.028 ( 0.076 0.944 -0.417) 1.034 6.153 ( 0.653 1.462 -0.490) 1.675 6.176 ( 0.810 0.576 0.184) 1.011 6.218 ( 0.258 -2.735 -0.353) 2.770 6.226 ( 0.887 -2.159 0.680) 2.431 7.528 ( 0.380 4.701 0.257) 4.723 7.543 ( 0.365 4.494 -0.308) 4.520 7.624 ( 0.133 -5.140 0.259) 5.148 7.635 ( 0.046 -4.914 -0.221) 4.919 ======================= Grid point 114 (62/108) ======================= q-point: ( 0.29 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -1.185 5.131 0.405) 5.282 1.115 ( -2.654 -2.598 0.926) 3.828 1.186 ( 2.509 4.574 1.609) 5.459 1.249 ( -0.409 2.977 0.671) 3.079 1.303 ( -0.193 -0.573 0.596) 0.849 1.321 ( -2.348 4.665 -1.880) 5.551 1.372 ( -1.996 -0.141 -0.422) 2.045 1.441 ( 0.010 -3.959 -0.583) 4.001 1.608 ( -4.038 4.765 -2.145) 6.604 1.648 ( -3.231 -0.113 0.809) 3.332 1.744 ( -0.447 2.310 2.692) 3.575 1.802 ( -2.659 -2.124 -0.054) 3.403 1.864 ( 0.296 -1.352 -1.859) 2.317 1.912 ( -0.462 -4.957 -2.112) 5.408 2.008 ( -2.682 0.506 1.677) 3.203 2.060 ( -1.363 -4.156 0.816) 4.449 2.668 ( -1.771 2.298 -0.720) 2.989 2.701 ( -2.002 -0.854 -0.647) 2.270 2.764 ( -2.022 1.945 0.951) 2.962 2.806 ( -2.310 -2.194 -0.096) 3.187 3.507 ( -0.989 1.100 -0.101) 1.482 3.533 ( -1.538 -0.925 -0.894) 2.005 3.558 ( -0.453 -0.167 0.484) 0.684 3.578 ( -0.492 -1.456 0.479) 1.610 4.613 ( 1.313 2.389 -0.746) 2.827 4.639 ( 2.203 -0.054 0.468) 2.253 4.673 ( 3.304 2.031 -0.077) 3.880 4.726 ( 3.917 -3.026 -0.540) 4.979 5.069 ( -1.845 1.698 1.282) 2.816 5.102 ( -1.678 -1.473 1.791) 2.862 5.212 ( -0.448 1.181 -1.044) 1.639 5.224 ( 0.545 -0.135 -0.754) 0.941 5.365 ( -0.930 1.192 0.116) 1.516 5.388 ( -1.239 0.547 -0.033) 1.355 5.423 ( -1.613 -0.800 0.226) 1.815 5.452 ( -1.753 -2.290 -0.587) 2.943 5.961 ( -0.659 1.516 0.187) 1.663 5.974 ( -0.578 0.155 -0.021) 0.599 6.023 ( -0.114 1.375 -0.282) 1.408 6.030 ( 0.097 0.941 -0.016) 0.946 6.167 ( 1.145 2.061 -0.380) 2.389 6.193 ( 0.304 2.335 0.679) 2.450 6.223 ( 0.774 -3.181 -0.387) 3.296 6.249 ( 1.046 -3.079 0.212) 3.259 7.534 ( 0.255 4.515 -0.037) 4.523 7.553 ( 0.681 4.095 -0.023) 4.151 7.627 ( 0.001 -4.970 0.076) 4.971 7.636 ( 0.209 -4.458 -0.037) 4.463 ======================= Grid point 115 (63/108) ======================= q-point: ( 0.43 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.141 2.723 1.577) 3.150 1.080 ( -1.920 -2.284 1.477) 3.329 1.216 ( -0.445 5.576 1.047) 5.691 1.251 ( -0.624 4.144 -2.479) 4.870 1.274 ( 1.207 2.239 -1.624) 3.018 1.305 ( -0.324 0.625 -0.653) 0.961 1.338 ( -1.668 -0.980 1.306) 2.334 1.431 ( 0.190 -5.634 -1.628) 5.868 1.538 ( -0.911 6.841 -0.423) 6.915 1.616 ( -0.471 0.354 0.443) 0.737 1.702 ( -3.655 4.206 -2.074) 5.945 1.771 ( -1.736 -1.790 -1.806) 3.078 1.865 ( 2.190 0.184 0.733) 2.317 1.931 ( 2.747 -5.973 -0.082) 6.575 1.970 ( -2.934 -0.967 2.242) 3.818 2.039 ( -1.677 -6.422 1.219) 6.748 2.642 ( -0.349 1.577 -0.274) 1.638 2.665 ( -1.042 -0.568 -0.359) 1.240 2.742 ( -1.057 1.266 0.385) 1.694 2.771 ( -1.065 -1.663 -0.325) 2.001 3.500 ( 0.095 -0.320 0.264) 0.426 3.508 ( -0.558 -0.853 0.094) 1.024 3.552 ( -0.260 0.007 -0.131) 0.291 3.568 ( -0.764 -1.307 0.061) 1.515 4.636 ( 1.156 2.894 0.530) 3.162 4.672 ( 0.886 -0.855 0.595) 1.367 4.725 ( 1.878 3.089 -0.265) 3.625 4.776 ( 1.949 -1.887 -1.091) 2.924 5.046 ( -1.638 1.777 1.437) 2.812 5.087 ( -1.287 -2.312 1.338) 2.965 5.196 ( -0.228 2.333 -0.911) 2.514 5.230 ( 0.849 -0.983 -1.207) 1.773 5.353 ( -0.313 0.915 -0.068) 0.969 5.370 ( -0.722 -0.966 0.285) 1.239 5.404 ( -0.283 -0.932 -0.031) 0.975 5.412 ( -1.515 -1.333 -0.826) 2.181 5.956 ( -0.226 1.497 0.492) 1.592 5.969 ( -0.082 0.118 0.258) 0.295 6.019 ( -0.040 1.469 -0.214) 1.485 6.029 ( -0.044 0.700 -0.172) 0.722 6.182 ( 0.679 2.116 -0.269) 2.238 6.194 ( -0.347 2.693 -0.162) 2.721 6.238 ( 0.485 -2.545 0.557) 2.650 6.265 ( 0.539 -3.442 -0.030) 3.484 7.539 ( 0.200 4.329 0.129) 4.336 7.561 ( 0.249 3.820 -0.172) 3.832 7.628 ( 0.003 -4.773 0.113) 4.774 7.639 ( 0.072 -4.160 -0.070) 4.161 ======================= Grid point 116 (64/108) ======================= q-point: (-0.43 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.405 1.786 2.427) 3.041 1.083 ( 0.982 -2.092 1.706) 2.872 1.200 ( -1.804 4.920 -1.521) 5.456 1.230 ( -0.338 5.901 -0.332) 5.920 1.246 ( 0.018 0.086 -3.102) 3.103 1.318 ( 1.421 -1.585 -0.745) 2.255 1.333 ( 0.556 2.594 1.196) 2.910 1.434 ( 0.546 -5.467 -1.132) 5.610 1.571 ( 3.128 4.074 0.801) 5.198 1.621 ( -0.695 1.078 -1.065) 1.667 1.648 ( 1.943 4.478 -1.425) 5.084 1.722 ( 0.433 -2.175 -2.812) 3.581 1.915 ( 0.674 0.692 0.731) 1.212 1.957 ( 0.907 -0.502 0.926) 1.390 1.973 ( 0.252 -4.108 1.586) 4.410 2.035 ( 0.406 -7.213 1.406) 7.360 2.651 ( 1.134 1.218 -0.001) 1.664 2.665 ( 1.701 0.066 -0.517) 1.779 2.735 ( 0.175 1.140 0.317) 1.197 2.768 ( 1.165 -1.974 -0.412) 2.329 3.505 ( 0.078 0.287 0.424) 0.518 3.520 ( 1.345 -0.977 0.393) 1.708 3.548 ( -0.400 -0.506 -0.236) 0.687 3.559 ( 0.561 -1.146 -0.198) 1.291 4.657 ( -0.097 1.708 1.367) 2.190 4.673 ( -1.492 0.465 0.428) 1.620 4.725 ( -1.425 2.838 -0.313) 3.191 4.770 ( -1.346 -1.437 -1.410) 2.422 5.044 ( 0.149 1.654 1.422) 2.187 5.082 ( -0.570 -2.337 1.344) 2.756 5.190 ( 0.665 2.603 -1.196) 2.941 5.229 ( 0.191 -1.491 -1.233) 1.944 5.352 ( -0.010 0.646 0.062) 0.649 5.372 ( 0.708 -1.243 0.310) 1.464 5.387 ( 0.438 0.755 -0.663) 1.096 5.422 ( 1.756 -2.511 -0.426) 3.093 5.961 ( 0.221 1.394 0.660) 1.558 5.973 ( 0.191 0.076 0.314) 0.375 6.020 ( 0.369 1.388 -0.082) 1.438 6.027 ( 0.030 0.962 -0.355) 1.026 6.180 ( -0.595 2.046 -0.367) 2.162 6.188 ( 0.046 2.135 -0.128) 2.139 6.242 ( -0.656 -2.050 0.550) 2.221 6.267 ( -0.311 -3.285 0.016) 3.299 7.542 ( -0.152 4.235 0.253) 4.245 7.558 ( -0.237 3.943 -0.290) 3.960 7.628 ( -0.103 -4.685 0.144) 4.688 7.638 ( -0.010 -4.273 -0.100) 4.274 ======================= Grid point 117 (65/108) ======================= q-point: (-0.29 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.575 5.388 1.093) 5.528 1.140 ( 2.379 -2.152 2.227) 3.905 1.149 ( -0.486 4.155 0.427) 4.205 1.232 ( 0.645 2.676 0.056) 2.754 1.244 ( 1.082 1.092 -1.525) 2.165 1.340 ( 1.531 -3.243 -1.009) 3.726 1.354 ( 0.952 2.254 -0.769) 2.565 1.405 ( -1.712 -2.389 -1.392) 3.252 1.612 ( 2.632 3.272 -1.942) 4.626 1.653 ( 3.626 -1.087 1.164) 3.960 1.704 ( 3.403 2.278 1.424) 4.336 1.751 ( 3.543 -1.988 -1.800) 4.443 1.921 ( 0.350 0.528 -0.022) 0.634 1.962 ( 0.188 -2.472 -1.917) 3.134 2.001 ( 0.587 0.545 2.403) 2.533 2.061 ( 0.731 -4.919 1.051) 5.082 2.678 ( 2.098 2.611 -0.627) 3.408 2.713 ( 3.510 -0.594 -0.511) 3.596 2.757 ( 1.455 1.708 1.086) 2.493 2.804 ( 2.781 -2.519 -0.145) 3.755 3.512 ( 0.456 1.058 0.010) 1.152 3.531 ( -0.131 -0.467 -0.812) 0.946 3.560 ( 1.893 -0.096 0.368) 1.931 3.580 ( 1.171 -1.774 0.577) 2.203 4.619 ( -3.412 3.400 -0.515) 4.844 4.659 ( -1.405 -0.897 1.308) 2.119 4.682 ( -2.758 1.192 -0.077) 3.005 4.714 ( -3.056 -1.883 -1.153) 3.770 5.068 ( 0.847 1.149 1.117) 1.813 5.087 ( -0.433 -0.910 1.746) 2.016 5.202 ( 1.731 1.343 -1.320) 2.558 5.222 ( 0.253 -0.847 -0.890) 1.254 5.353 ( 0.292 2.531 -0.138) 2.551 5.398 ( 1.590 -0.796 0.451) 1.834 5.412 ( 2.025 -0.218 -0.268) 2.054 5.453 ( 1.894 -3.009 -0.533) 3.596 5.974 ( 0.499 1.090 0.551) 1.319 5.979 ( 0.231 0.549 0.039) 0.596 6.024 ( 0.120 1.580 -0.416) 1.638 6.030 ( 0.621 0.780 0.112) 1.003 6.166 ( -0.476 2.039 -0.413) 2.134 6.187 ( -0.292 1.715 0.455) 1.798 6.224 ( -1.396 -2.168 -0.166) 2.584 6.254 ( -1.087 -3.284 0.238) 3.468 7.534 ( -0.701 4.458 -0.031) 4.513 7.553 ( -0.206 4.214 -0.024) 4.219 7.625 ( -0.300 -4.863 0.024) 4.873 7.638 ( 0.052 -4.617 0.017) 4.617 ======================= Grid point 118 (66/108) ======================= q-point: (-0.14 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.839 10.617 -0.307) 10.654 1.161 ( -0.496 4.193 1.424) 4.456 1.213 ( 2.209 -5.019 0.922) 5.560 1.245 ( 0.586 -3.338 0.368) 3.409 1.268 ( 2.268 1.951 1.854) 3.520 1.320 ( -1.243 -2.037 -2.262) 3.288 1.374 ( 0.602 1.635 -0.459) 1.802 1.389 ( 1.462 0.022 0.512) 1.549 1.663 ( 3.541 3.118 -0.565) 4.752 1.716 ( 1.730 -2.406 0.905) 3.098 1.773 ( 2.485 0.667 0.979) 2.753 1.790 ( 1.571 -1.278 -0.611) 2.115 1.925 ( 0.427 0.354 -1.281) 1.396 1.953 ( 1.288 -1.877 -2.658) 3.500 2.024 ( -0.153 2.129 1.955) 2.894 2.075 ( -0.274 -2.988 1.160) 3.217 2.712 ( 2.041 4.254 -0.887) 4.801 2.762 ( 2.046 0.938 -1.112) 2.511 2.801 ( 1.839 0.078 1.360) 2.288 2.851 ( 2.121 -2.999 -0.230) 3.681 3.515 ( 0.042 1.488 -0.014) 1.488 3.535 ( 1.053 -0.529 -0.287) 1.213 3.590 ( 0.742 0.412 -0.004) 0.849 3.603 ( 0.804 -1.209 0.167) 1.462 4.558 ( -2.381 4.203 -0.115) 4.832 4.627 ( -2.162 -2.367 -0.325) 3.222 4.637 ( -1.942 -0.289 0.237) 1.978 4.661 ( -1.638 -2.017 -0.561) 2.658 5.084 ( -0.114 0.829 1.158) 1.429 5.099 ( -0.065 -0.578 1.942) 2.027 5.215 ( 0.644 1.358 -0.894) 1.749 5.233 ( 1.671 -0.198 -0.933) 1.924 5.359 ( 0.317 4.152 0.154) 4.167 5.431 ( 1.376 -1.002 0.421) 1.754 5.439 ( 1.033 -0.864 -0.319) 1.384 5.480 ( 1.378 -2.992 -0.381) 3.316 5.983 ( 0.277 0.958 0.053) 0.999 5.985 ( 0.293 0.889 0.203) 0.958 6.025 ( 0.249 2.127 -0.383) 2.176 6.040 ( 0.237 0.499 -0.106) 0.563 6.158 ( 0.030 1.397 -0.499) 1.484 6.180 ( -1.197 1.785 0.353) 2.178 6.200 ( -0.413 -2.472 -0.178) 2.513 6.235 ( -1.118 -3.401 0.351) 3.597 7.522 ( -0.497 4.853 0.031) 4.878 7.549 ( -0.207 4.388 -0.089) 4.394 7.620 ( -0.206 -5.219 0.092) 5.223 7.639 ( -0.012 -4.871 -0.051) 4.871 ======================= Grid point 154 (67/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 2.040 0.000 6.416) 6.732 0.387 ( 3.049 0.000 -1.178) 3.268 0.566 ( -8.289 0.000 10.897) 13.691 0.719 ( 4.214 0.000 -5.233) 6.719 0.776 ( 3.717 0.000 11.499) 12.085 0.989 ( -3.016 0.000 -9.745) 10.201 1.193 ( -0.686 0.000 -0.601) 0.912 1.214 ( -0.878 0.000 -2.977) 3.104 1.616 ( 0.294 0.000 0.183) 0.347 1.617 ( 0.334 0.000 -0.073) 0.342 1.827 ( -0.891 0.000 1.438) 1.691 1.851 ( 3.276 0.000 -0.878) 3.392 1.993 ( 5.156 0.000 0.473) 5.178 2.022 ( -6.794 0.000 -2.701) 7.311 2.297 ( 4.067 0.000 1.742) 4.424 2.311 ( -4.358 0.000 0.235) 4.365 2.498 ( 0.685 0.000 0.872) 1.109 2.518 ( -0.671 0.000 -1.029) 1.228 3.040 ( -2.792 0.000 0.526) 2.842 3.052 ( 3.123 0.000 -0.653) 3.191 3.295 ( 4.092 0.000 0.148) 4.095 3.296 ( -4.269 0.000 0.030) 4.270 3.872 ( -0.125 0.000 0.794) 0.803 3.885 ( 0.558 0.000 -0.576) 0.802 4.177 ( 4.678 0.000 2.713) 5.407 4.244 ( -5.577 0.000 -4.203) 6.983 4.896 ( -1.671 0.000 1.886) 2.520 4.910 ( 3.792 0.000 0.224) 3.799 5.103 ( -1.945 0.000 1.049) 2.210 5.133 ( 2.299 0.000 -1.781) 2.908 5.178 ( -2.918 0.000 -0.033) 2.918 5.181 ( 3.062 0.000 -0.141) 3.066 5.406 ( -0.250 0.000 1.447) 1.469 5.433 ( -0.067 0.000 -1.324) 1.326 5.607 ( 1.191 0.000 0.624) 1.344 5.616 ( -1.859 0.000 -0.294) 1.882 5.711 ( 0.212 0.000 0.629) 0.664 5.724 ( -0.459 0.000 -0.795) 0.918 5.922 ( 0.493 0.000 0.496) 0.699 5.932 ( -1.152 0.000 -0.434) 1.231 6.083 ( 0.742 0.000 0.171) 0.762 6.089 ( -0.613 0.000 -0.502) 0.792 6.419 ( 0.180 0.000 0.359) 0.402 6.426 ( 0.281 0.000 -0.284) 0.400 7.280 ( 0.268 0.000 0.290) 0.395 7.286 ( -0.279 0.000 -0.318) 0.423 7.954 ( 0.247 0.000 0.069) 0.256 7.955 ( -0.246 0.000 -0.064) 0.254 ======================= Grid point 155 (68/108) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 9.882 0.000 -1.106) 9.943 0.499 ( 11.260 0.000 -1.389) 11.345 0.659 ( 6.719 0.000 6.962) 9.675 0.812 ( 6.095 0.000 -6.675) 9.039 0.947 ( 12.415 0.000 -5.562) 13.604 1.036 ( 13.476 0.000 7.337) 15.344 1.226 ( 2.872 0.000 2.836) 4.036 1.228 ( 2.858 0.000 -0.287) 2.872 1.548 ( -6.589 0.000 -0.793) 6.637 1.551 ( -6.494 0.000 -1.175) 6.599 1.848 ( 2.370 0.000 0.427) 2.408 1.882 ( 0.925 0.000 -2.572) 2.733 1.951 ( 1.119 0.000 -0.640) 1.289 2.118 ( 5.855 0.000 2.335) 6.303 2.245 ( -2.431 0.000 -0.743) 2.542 2.389 ( 4.249 0.000 1.221) 4.421 2.486 ( -1.606 0.000 -0.993) 1.888 2.510 ( -0.295 0.000 0.897) 0.945 2.944 ( -7.198 0.000 0.175) 7.200 3.004 ( -8.342 0.000 -0.528) 8.359 3.257 ( 0.894 0.000 -0.209) 0.918 3.362 ( 2.173 0.000 0.239) 2.186 3.889 ( 1.465 0.000 0.334) 1.502 3.903 ( 1.922 0.000 -1.017) 2.174 4.150 ( -0.859 0.000 -2.643) 2.779 4.329 ( 7.849 0.000 4.229) 8.915 4.830 ( -4.886 0.000 -0.638) 4.928 4.899 ( -3.911 0.000 -2.041) 4.412 5.088 ( -0.812 0.000 0.863) 1.185 5.111 ( -3.551 0.000 -0.086) 3.552 5.172 ( 3.331 0.000 -1.940) 3.855 5.213 ( 0.262 0.000 0.289) 0.390 5.398 ( -2.281 0.000 -0.578) 2.353 5.403 ( -1.056 0.000 1.229) 1.620 5.587 ( -1.252 0.000 -0.401) 1.315 5.628 ( 0.022 0.000 0.996) 0.997 5.728 ( 1.394 0.000 -0.563) 1.503 5.733 ( 1.184 0.000 0.801) 1.429 5.897 ( -2.094 0.000 0.164) 2.100 5.914 ( -2.024 0.000 0.611) 2.114 6.096 ( 1.757 0.000 -0.723) 1.900 6.113 ( 2.074 0.000 0.549) 2.146 6.415 ( -0.877 0.000 -0.625) 1.077 6.419 ( -0.291 0.000 0.100) 0.308 7.287 ( 0.622 0.000 -0.248) 0.670 7.296 ( 1.081 0.000 0.260) 1.112 7.945 ( -0.733 0.000 -0.043) 0.735 7.954 ( -0.292 0.000 0.043) 0.295 ======================= Grid point 156 (69/108) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 7.327 0.000 -3.240) 8.012 0.693 ( 8.430 0.000 5.064) 9.834 0.853 ( 10.535 0.000 0.367) 10.541 0.946 ( 11.026 0.000 -0.478) 11.036 1.205 ( 14.014 0.000 -2.456) 14.227 1.251 ( -0.976 0.000 -2.247) 2.450 1.277 ( 5.452 0.000 0.574) 5.482 1.292 ( -6.312 0.000 4.898) 7.990 1.440 ( -0.386 0.000 -0.605) 0.718 1.490 ( 10.257 0.000 -1.081) 10.314 1.880 ( 0.635 0.000 -0.617) 0.885 1.894 ( 0.830 0.000 1.435) 1.658 1.981 ( 2.148 0.000 -1.299) 2.510 2.169 ( -2.432 0.000 -0.260) 2.446 2.254 ( 3.807 0.000 1.030) 3.944 2.436 ( -0.616 0.000 -2.006) 2.098 2.473 ( 1.634 0.000 1.180) 2.016 2.505 ( -0.706 0.000 0.468) 0.847 2.786 ( -13.681 0.000 0.158) 13.682 2.796 ( -8.401 0.000 -0.459) 8.414 3.292 ( 2.207 0.000 0.063) 2.208 3.375 ( -0.368 0.000 -0.196) 0.417 3.929 ( 2.219 0.000 0.592) 2.297 3.939 ( 2.748 0.000 -0.446) 2.784 4.166 ( 3.696 0.000 -0.348) 3.713 4.513 ( 8.082 0.000 3.289) 8.725 4.753 ( -2.927 0.000 0.549) 2.978 4.757 ( -8.232 0.000 -3.526) 8.955 5.047 ( -3.053 0.000 -0.485) 3.092 5.073 ( -1.144 0.000 -1.121) 1.602 5.206 ( -1.302 0.000 1.554) 2.027 5.217 ( 2.933 0.000 -1.991) 3.545 5.360 ( -1.379 0.000 0.566) 1.490 5.395 ( -0.628 0.000 0.521) 0.816 5.566 ( -0.590 0.000 -0.100) 0.598 5.621 ( -1.344 0.000 0.455) 1.419 5.749 ( 1.112 0.000 -0.513) 1.225 5.758 ( 0.949 0.000 0.365) 1.017 5.864 ( -1.457 0.000 -0.085) 1.460 5.870 ( -2.595 0.000 0.082) 2.596 6.131 ( 2.470 0.000 -0.802) 2.597 6.158 ( 1.806 0.000 0.719) 1.943 6.391 ( -0.948 0.000 -0.369) 1.018 6.413 ( -0.479 0.000 0.106) 0.490 7.302 ( 1.056 0.000 -0.001) 1.056 7.319 ( 1.092 0.000 0.042) 1.093 7.931 ( -0.720 0.000 0.097) 0.726 7.945 ( -0.579 0.000 -0.104) 0.588 ======================= Grid point 157 (70/108) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 8.101 0.000 3.661) 8.889 0.864 ( 5.878 0.000 4.302) 7.284 1.015 ( 2.367 0.000 -1.637) 2.878 1.078 ( 2.513 0.000 -4.049) 4.765 1.135 ( -5.405 0.000 1.839) 5.710 1.196 ( -0.233 0.000 -2.384) 2.396 1.300 ( 1.335 0.000 0.635) 1.478 1.326 ( -1.607 0.000 2.570) 3.031 1.588 ( 10.066 0.000 1.251) 10.143 1.721 ( 9.536 0.000 -3.619) 10.200 1.894 ( 0.912 0.000 0.533) 1.056 1.901 ( -0.536 0.000 0.841) 0.997 1.991 ( 0.227 0.000 -0.965) 0.991 2.086 ( -4.951 0.000 -2.171) 5.406 2.324 ( 2.128 0.000 1.635) 2.683 2.397 ( -1.335 0.000 -1.816) 2.254 2.496 ( 0.033 0.000 -0.122) 0.126 2.498 ( -0.447 0.000 0.245) 0.510 2.583 ( -6.958 0.000 2.891) 7.534 2.653 ( -4.824 0.000 -1.994) 5.220 3.327 ( 1.474 0.000 0.244) 1.494 3.359 ( -0.934 0.000 -0.354) 0.999 3.970 ( 1.267 0.000 0.805) 1.501 3.981 ( 1.457 0.000 0.089) 1.459 4.272 ( 6.852 0.000 2.184) 7.192 4.541 ( -8.832 0.000 -5.036) 10.167 4.684 ( 5.990 0.000 1.576) 6.194 4.724 ( -2.363 0.000 2.589) 3.505 4.994 ( -2.119 0.000 -0.200) 2.129 5.031 ( -1.044 0.000 -2.567) 2.771 5.201 ( -1.027 0.000 1.985) 2.235 5.235 ( 1.255 0.000 -2.047) 2.401 5.364 ( 0.653 0.000 0.968) 1.167 5.388 ( -0.501 0.000 0.039) 0.503 5.567 ( 0.427 0.000 0.477) 0.640 5.596 ( -1.217 0.000 -0.190) 1.232 5.759 ( 0.223 0.000 0.176) 0.284 5.772 ( 0.538 0.000 -0.459) 0.707 5.832 ( -1.594 0.000 0.510) 1.674 5.844 ( -0.235 0.000 -0.760) 0.796 6.166 ( 1.931 0.000 -0.601) 2.022 6.178 ( -0.317 0.000 0.390) 0.503 6.384 ( 0.316 0.000 0.143) 0.347 6.402 ( -0.810 0.000 -0.023) 0.810 7.320 ( 0.673 0.000 0.229) 0.711 7.332 ( 0.293 0.000 -0.189) 0.348 7.924 ( -0.206 0.000 0.253) 0.326 7.934 ( -0.384 0.000 -0.261) 0.464 ======================= Grid point 158 (71/108) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -12.641 0.000 -1.108) 12.690 0.904 ( 2.002 0.000 1.383) 2.433 0.996 ( 3.058 0.000 3.072) 4.335 1.001 ( -9.097 0.000 -1.416) 9.206 1.166 ( -1.073 0.000 1.298) 1.684 1.189 ( 6.441 0.000 -3.876) 7.517 1.307 ( -0.008 0.000 0.066) 0.067 1.361 ( 3.050 0.000 -0.546) 3.099 1.610 ( -15.609 0.000 -1.898) 15.723 1.639 ( -8.990 0.000 4.763) 10.174 1.902 ( -0.413 0.000 -0.314) 0.519 1.921 ( 1.826 0.000 -0.412) 1.872 1.999 ( -1.160 0.000 -2.114) 2.411 2.055 ( 5.631 0.000 0.765) 5.683 2.357 ( -1.785 0.000 -1.854) 2.574 2.363 ( 0.855 0.000 1.822) 2.013 2.490 ( -0.409 0.000 0.345) 0.535 2.499 ( 0.116 0.000 0.179) 0.213 2.610 ( 6.365 0.000 2.421) 6.810 2.635 ( 5.565 0.000 -2.477) 6.091 3.336 ( -1.184 0.000 -0.618) 1.336 3.351 ( 0.776 0.000 0.485) 0.915 3.979 ( -1.084 0.000 0.399) 1.156 3.983 ( -1.056 0.000 -0.482) 1.161 4.335 ( -8.299 0.000 -4.326) 9.359 4.442 ( 7.357 0.000 5.289) 9.061 4.688 ( -3.301 0.000 0.796) 3.396 4.775 ( 3.430 0.000 -2.253) 4.104 4.980 ( 0.064 0.000 2.258) 2.259 5.012 ( 1.351 0.000 -1.775) 2.230 5.199 ( -1.014 0.000 1.671) 1.954 5.242 ( 1.467 0.000 -2.176) 2.625 5.376 ( -0.588 0.000 -0.349) 0.684 5.382 ( 0.434 0.000 0.729) 0.848 5.576 ( -0.619 0.000 -0.465) 0.775 5.587 ( 1.189 0.000 0.709) 1.385 5.764 ( 0.119 0.000 0.349) 0.369 5.764 ( -0.876 0.000 -0.443) 0.982 5.830 ( 0.696 0.000 0.697) 0.985 5.843 ( 0.802 0.000 -0.598) 1.000 6.157 ( -1.987 0.000 0.285) 2.008 6.185 ( 0.341 0.000 -0.303) 0.456 6.388 ( -0.422 0.000 -0.245) 0.488 6.400 ( 0.958 0.000 0.212) 0.981 7.325 ( -0.738 0.000 -0.281) 0.789 7.327 ( -0.201 0.000 0.280) 0.345 7.928 ( 0.430 0.000 0.311) 0.531 7.929 ( 0.153 0.000 -0.310) 0.346 ======================= Grid point 159 (72/108) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -13.062 0.000 0.953) 13.096 0.735 ( -16.411 0.000 -0.560) 16.421 0.908 ( -0.739 0.000 -4.131) 4.197 0.934 ( -10.344 0.000 0.656) 10.365 1.154 ( -20.807 0.000 2.419) 20.947 1.206 ( 3.278 0.000 2.140) 3.915 1.290 ( -2.552 0.000 -1.009) 2.744 1.382 ( 6.363 0.000 -3.288) 7.162 1.425 ( 1.227 0.000 0.706) 1.416 1.448 ( -10.718 0.000 2.833) 11.086 1.875 ( -1.891 0.000 -0.064) 1.892 1.937 ( 0.313 0.000 -2.422) 2.443 1.970 ( -1.498 0.000 -0.393) 1.549 2.148 ( 3.304 0.000 1.462) 3.613 2.287 ( -3.768 0.000 -2.133) 4.330 2.393 ( 0.081 0.000 2.496) 2.497 2.482 ( -0.917 0.000 0.002) 0.917 2.507 ( 0.722 0.000 0.349) 0.802 2.786 ( 9.907 0.000 0.478) 9.918 2.793 ( 11.573 0.000 -0.542) 11.585 3.302 ( -1.757 0.000 -0.985) 2.015 3.365 ( 0.057 0.000 0.832) 0.834 3.936 ( -3.331 0.000 -0.100) 3.332 3.943 ( -2.305 0.000 -0.805) 2.441 4.184 ( -4.680 0.000 -2.152) 5.151 4.530 ( -5.097 0.000 2.428) 5.646 4.698 ( 6.566 0.000 1.625) 6.764 4.780 ( 0.695 0.000 -2.795) 2.880 5.032 ( 2.325 0.000 3.100) 3.876 5.047 ( 3.386 0.000 -0.664) 3.451 5.184 ( -2.327 0.000 1.455) 2.744 5.241 ( 0.228 0.000 -1.974) 1.987 5.369 ( 0.521 0.000 -0.408) 0.662 5.400 ( 1.298 0.000 0.141) 1.306 5.568 ( 0.185 0.000 -0.290) 0.344 5.621 ( 1.755 0.000 0.513) 1.829 5.741 ( -1.481 0.000 0.292) 1.509 5.764 ( -0.317 0.000 -0.250) 0.404 5.859 ( 1.839 0.000 0.302) 1.864 5.866 ( 1.873 0.000 0.494) 1.937 6.119 ( -2.247 0.000 0.327) 2.271 6.168 ( -1.776 0.000 -0.349) 1.810 6.388 ( 0.670 0.000 -0.050) 0.672 6.414 ( 0.421 0.000 -0.008) 0.421 7.304 ( -1.233 0.000 -0.163) 1.244 7.318 ( -0.910 0.000 0.115) 0.918 7.934 ( 0.607 0.000 -0.215) 0.644 7.942 ( 0.690 0.000 0.227) 0.726 ======================= Grid point 160 (73/108) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -8.748 0.000 6.813) 11.088 0.427 ( -16.923 0.000 3.784) 17.341 0.739 ( -10.907 0.000 1.386) 10.995 0.798 ( -19.169 0.000 9.625) 21.450 0.802 ( -5.032 0.000 -6.478) 8.203 1.129 ( -6.888 0.000 -3.140) 7.570 1.235 ( -1.506 0.000 -0.407) 1.560 1.309 ( -4.840 0.000 -4.316) 6.485 1.532 ( 7.402 0.000 0.845) 7.450 1.535 ( 7.857 0.000 -0.014) 7.857 1.843 ( -2.103 0.000 1.518) 2.594 1.869 ( -4.112 0.000 -2.109) 4.622 1.948 ( 0.050 0.000 -0.319) 0.322 2.175 ( -4.951 0.000 -3.521) 6.076 2.220 ( 2.107 0.000 1.748) 2.737 2.383 ( -3.683 0.000 1.792) 4.096 2.476 ( 0.842 0.000 0.024) 0.843 2.524 ( 0.728 0.000 -0.434) 0.848 2.951 ( 7.798 0.000 -0.622) 7.823 2.988 ( 7.818 0.000 1.016) 7.884 3.264 ( -0.748 0.000 -0.925) 1.190 3.356 ( -2.139 0.000 0.778) 2.276 3.883 ( -2.153 0.000 0.841) 2.312 3.899 ( -1.475 0.000 -0.656) 1.615 4.127 ( -0.422 0.000 -0.058) 0.426 4.399 ( -7.290 0.000 -2.809) 7.812 4.806 ( 3.951 0.000 1.534) 4.239 4.842 ( 4.531 0.000 3.755) 5.885 5.096 ( 2.563 0.000 0.511) 2.614 5.113 ( 4.010 0.000 -0.515) 4.043 5.143 ( -2.984 0.000 1.129) 3.190 5.219 ( -1.339 0.000 -0.494) 1.428 5.387 ( 1.069 0.000 0.544) 1.200 5.425 ( 1.589 0.000 -1.023) 1.889 5.580 ( 1.115 0.000 0.268) 1.147 5.645 ( 0.304 0.000 -0.835) 0.888 5.718 ( -1.307 0.000 0.480) 1.392 5.747 ( -1.013 0.000 -0.655) 1.206 5.896 ( 1.821 0.000 0.157) 1.827 5.918 ( 2.685 0.000 0.416) 2.718 6.087 ( -1.324 0.000 0.188) 1.338 6.124 ( -2.324 0.000 -0.484) 2.374 6.406 ( 0.876 0.000 0.333) 0.937 6.418 ( 0.165 0.000 0.232) 0.284 7.283 ( -0.787 0.000 0.090) 0.792 7.300 ( -0.922 0.000 -0.138) 0.933 7.945 ( 0.641 0.000 -0.048) 0.643 7.954 ( 0.386 0.000 0.061) 0.390 ======================= Grid point 161 (74/108) ======================= q-point: ( 0.00 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -2.906 9.641 5.833) 11.637 0.508 ( 4.291 9.676 -2.079) 10.787 0.658 ( -6.225 9.089 9.443) 14.510 0.800 ( 4.590 7.145 -4.996) 9.853 0.827 ( 3.607 5.551 8.747) 10.970 1.004 ( -3.589 1.885 -8.522) 9.437 1.252 ( 0.024 5.415 0.813) 5.476 1.303 ( -1.561 7.496 -4.966) 9.127 1.613 ( -0.256 0.280 0.866) 0.945 1.631 ( 0.720 1.037 -0.997) 1.608 1.815 ( 1.904 -1.457 1.383) 2.768 1.834 ( -0.478 -0.913 -0.432) 1.117 1.996 ( 2.314 0.023 0.554) 2.379 2.027 ( -3.152 0.550 -2.559) 4.096 2.258 ( 0.976 -3.575 2.334) 4.379 2.286 ( -1.019 -2.845 -0.675) 3.096 2.501 ( 0.901 0.367 1.156) 1.510 2.522 ( -0.828 0.547 -0.940) 1.367 3.026 ( -2.184 -1.469 0.604) 2.701 3.038 ( 2.362 -1.441 -0.609) 2.833 3.312 ( 0.984 1.963 0.573) 2.269 3.322 ( -1.059 2.318 -0.390) 2.578 3.836 ( 0.327 -3.267 0.795) 3.378 3.853 ( -0.154 -3.226 -0.969) 3.372 4.213 ( 3.918 3.629 3.952) 6.643 4.298 ( -4.539 4.818 -4.958) 8.270 4.880 ( -1.579 -1.584 1.740) 2.833 4.891 ( 3.330 -1.946 0.699) 3.920 5.071 ( -1.807 -1.558 0.795) 2.514 5.098 ( 2.119 -2.464 -1.918) 3.774 5.196 ( -2.872 0.808 0.521) 3.028 5.203 ( 2.595 1.053 -0.132) 2.803 5.386 ( 0.575 -1.810 0.989) 2.141 5.409 ( -0.647 -2.115 -1.351) 2.591 5.605 ( -0.441 -0.519 0.597) 0.906 5.612 ( 0.072 -0.218 -0.118) 0.258 5.742 ( 0.430 2.954 0.645) 3.054 5.755 ( -0.609 2.849 -0.712) 2.999 5.914 ( -1.052 -0.710 0.831) 1.517 5.926 ( 0.658 -0.040 -0.462) 0.805 6.093 ( -0.002 0.972 0.313) 1.021 6.101 ( 0.045 1.114 -0.555) 1.246 6.404 ( 0.026 -1.491 0.676) 1.637 6.415 ( 0.236 -1.100 -0.485) 1.225 7.291 ( 0.284 1.089 0.388) 1.190 7.298 ( -0.287 1.263 -0.422) 1.362 7.938 ( 0.248 -1.653 0.087) 1.673 7.940 ( -0.247 -1.618 -0.083) 1.639 ======================= Grid point 162 (75/108) ======================= q-point: ( 0.14 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 7.697 3.581 -0.095) 8.490 0.563 ( 5.508 5.551 0.406) 7.830 0.722 ( 3.712 4.945 3.555) 7.133 0.843 ( 2.987 3.104 -3.952) 5.846 0.988 ( 12.935 4.428 -4.333) 14.342 1.093 ( 12.872 5.159 4.962) 14.728 1.271 ( 1.627 5.226 0.318) 5.482 1.299 ( 1.745 5.387 2.098) 6.039 1.539 ( -6.861 -0.465 0.100) 6.878 1.561 ( -6.647 0.798 -1.775) 6.926 1.829 ( 1.830 -1.364 -0.436) 2.324 1.890 ( 3.157 0.420 -0.909) 3.312 1.951 ( -0.202 -0.078 -0.421) 0.473 2.111 ( 4.935 -0.813 1.529) 5.230 2.220 ( -1.622 -2.381 -0.554) 2.934 2.357 ( 4.464 -3.257 0.511) 5.549 2.483 ( -1.864 0.078 -0.842) 2.047 2.527 ( 0.472 1.443 0.725) 1.683 2.935 ( -7.162 -0.953 0.173) 7.227 3.000 ( -6.683 -0.603 -0.400) 6.722 3.287 ( 0.649 2.972 -0.231) 3.051 3.373 ( 2.038 1.167 0.248) 2.362 3.835 ( 0.368 -4.250 -0.301) 4.277 3.878 ( 2.333 -2.984 0.034) 3.787 4.205 ( -0.693 4.995 -3.519) 6.149 4.361 ( 7.018 3.016 4.648) 8.942 4.816 ( -4.704 -1.496 -0.366) 4.950 4.893 ( -2.996 -0.755 -2.107) 3.740 5.048 ( -0.871 -2.141 0.769) 2.436 5.115 ( -1.587 -0.871 -0.498) 1.877 5.163 ( 1.502 -0.193 -0.596) 1.627 5.233 ( 0.481 1.243 0.200) 1.348 5.373 ( -1.237 -2.046 -0.867) 2.543 5.399 ( -0.572 -0.643 1.064) 1.369 5.585 ( -1.244 -0.361 0.147) 1.304 5.615 ( -0.644 -0.929 0.229) 1.153 5.748 ( 0.454 2.106 -0.298) 2.175 5.765 ( 1.059 2.736 0.497) 2.975 5.894 ( -1.570 0.090 0.716) 1.728 5.916 ( -1.417 0.306 -0.124) 1.455 6.102 ( 1.514 0.649 -0.379) 1.690 6.121 ( 1.635 0.739 0.294) 1.818 6.402 ( -0.646 -1.214 -0.089) 1.378 6.409 ( -0.187 -1.054 -0.253) 1.100 7.297 ( 0.561 1.080 -0.292) 1.252 7.308 ( 1.112 1.246 0.294) 1.696 7.929 ( -0.726 -1.624 -0.059) 1.780 7.938 ( -0.277 -1.622 0.059) 1.647 ======================= Grid point 163 (76/108) ======================= q-point: ( 0.29 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 7.595 0.724 -3.447) 8.371 0.724 ( 8.856 2.682 3.589) 9.925 0.861 ( 9.285 1.153 0.376) 9.364 0.961 ( 9.985 1.558 1.041) 10.159 1.210 ( 9.470 0.665 -1.489) 9.610 1.252 ( 0.565 1.193 -1.814) 2.244 1.320 ( -3.941 2.999 2.301) 5.461 1.331 ( -0.075 3.497 2.725) 4.434 1.427 ( -2.401 -1.399 0.043) 2.779 1.479 ( 5.679 -0.810 -1.464) 5.921 1.866 ( 1.685 -0.735 1.206) 2.198 1.922 ( 1.941 1.734 -1.279) 2.900 1.975 ( 2.456 -0.600 -0.986) 2.714 2.146 ( -1.858 -2.358 0.132) 3.005 2.244 ( 3.407 -1.055 0.830) 3.662 2.418 ( 1.415 -2.238 -1.655) 3.122 2.452 ( 0.142 -0.690 0.224) 0.739 2.538 ( 0.439 2.587 0.405) 2.655 2.775 ( -10.282 -0.267 -0.143) 10.286 2.829 ( -9.924 2.162 -0.110) 10.158 3.318 ( 2.096 2.668 0.105) 3.394 3.390 ( 0.039 1.515 -0.226) 1.532 3.857 ( 1.959 -5.259 0.374) 5.624 3.921 ( 2.083 -3.197 0.018) 3.816 4.213 ( 3.629 4.301 -1.107) 5.735 4.532 ( 7.260 1.781 3.593) 8.294 4.732 ( -4.696 -1.240 -0.934) 4.946 4.776 ( -5.753 0.982 -2.001) 6.169 5.030 ( -1.895 -1.191 -0.193) 2.246 5.066 ( -1.962 -0.610 -0.964) 2.269 5.202 ( 1.930 -0.486 -0.612) 2.082 5.232 ( -0.286 1.275 0.261) 1.332 5.354 ( -0.187 -0.806 -0.006) 0.827 5.399 ( -0.339 0.438 0.950) 1.100 5.562 ( -1.184 -0.383 -0.008) 1.244 5.598 ( -1.161 -1.956 0.106) 2.277 5.756 ( 0.560 1.018 -0.266) 1.192 5.782 ( 0.429 2.023 0.219) 2.080 5.871 ( -1.516 0.571 0.023) 1.620 5.882 ( -1.720 1.390 0.040) 2.212 6.134 ( 2.132 0.365 -0.613) 2.248 6.157 ( 1.597 -0.080 0.613) 1.713 6.385 ( -0.784 -0.689 -0.253) 1.074 6.405 ( -0.308 -0.856 0.007) 0.910 7.311 ( 1.043 0.980 -0.025) 1.431 7.331 ( 1.075 1.277 0.049) 1.669 7.915 ( -0.707 -1.608 0.093) 1.759 7.930 ( -0.567 -1.584 -0.097) 1.685 ======================= Grid point 164 (77/108) ======================= q-point: ( 0.43 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 8.398 0.428 2.902) 8.896 0.897 ( 5.056 2.690 3.960) 6.963 1.016 ( 4.550 0.139 -2.401) 5.146 1.094 ( 1.487 1.467 -2.412) 3.191 1.162 ( -4.328 2.865 0.835) 5.257 1.205 ( -0.276 0.900 -1.667) 1.915 1.297 ( 0.692 -0.537 0.708) 1.126 1.344 ( -3.000 1.772 3.075) 4.647 1.491 ( 5.250 -7.639 0.885) 9.311 1.580 ( 2.689 -9.582 -1.887) 10.129 1.925 ( 3.252 0.113 1.469) 3.570 1.950 ( 1.616 1.644 -0.394) 2.339 1.990 ( 0.641 -0.204 -2.245) 2.344 2.094 ( -3.148 1.019 -1.888) 3.810 2.308 ( 2.324 -1.778 2.135) 3.622 2.399 ( -0.778 -0.217 -1.833) 2.003 2.481 ( 2.562 -0.127 -0.023) 2.565 2.559 ( 1.103 4.906 -0.603) 5.064 2.592 ( -7.878 1.088 2.016) 8.204 2.672 ( -6.021 1.946 -1.094) 6.421 3.352 ( 1.191 2.439 0.385) 2.742 3.381 ( -0.513 2.224 -0.505) 2.338 3.903 ( 1.867 -5.658 1.189) 6.075 3.945 ( 0.405 -4.222 -0.385) 4.259 4.311 ( 6.553 3.571 1.729) 7.661 4.560 ( -8.524 1.698 -4.688) 9.875 4.681 ( 5.215 -0.168 1.802) 5.521 4.725 ( -1.921 0.050 2.094) 2.842 4.988 ( -1.997 -0.400 0.133) 2.041 5.027 ( -0.742 -0.465 -2.454) 2.605 5.210 ( -0.969 0.772 1.611) 2.032 5.237 ( 1.275 0.187 -1.782) 2.199 5.368 ( 1.007 0.377 0.962) 1.443 5.399 ( -0.390 0.983 0.125) 1.064 5.551 ( -0.102 -1.443 0.497) 1.530 5.577 ( -0.931 -1.799 -0.371) 2.059 5.764 ( 0.380 0.739 0.191) 0.853 5.784 ( -0.144 1.152 -0.417) 1.233 5.845 ( -1.118 1.299 0.637) 1.829 5.863 ( -0.272 1.744 -0.703) 1.900 6.162 ( 0.890 -0.322 0.234) 0.975 6.179 ( 0.541 -0.030 -0.356) 0.648 6.378 ( 0.151 -0.578 0.256) 0.650 6.396 ( -0.553 -0.576 -0.206) 0.825 7.330 ( 0.710 1.002 0.259) 1.255 7.343 ( 0.246 1.203 -0.232) 1.250 7.908 ( -0.196 -1.582 0.259) 1.615 7.919 ( -0.382 -1.566 -0.264) 1.634 ======================= Grid point 165 (78/108) ======================= q-point: (-0.43 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -10.787 -0.250 -0.992) 10.835 0.929 ( 2.269 1.727 1.254) 3.115 0.996 ( -11.827 -0.681 -1.506) 11.941 1.027 ( 1.722 3.257 3.442) 5.042 1.180 ( -1.406 1.497 0.565) 2.130 1.209 ( 6.053 1.958 -2.925) 7.002 1.302 ( 0.811 -0.695 0.234) 1.094 1.384 ( 4.352 2.140 -0.542) 4.880 1.504 ( -7.698 -7.770 0.006) 10.938 1.540 ( -3.857 -7.717 1.379) 8.736 1.917 ( -2.360 0.057 0.937) 2.539 1.969 ( -0.888 -3.000 -0.061) 3.130 1.989 ( -3.078 3.739 -2.628) 5.510 2.058 ( 4.427 0.471 1.107) 4.587 2.350 ( -2.173 -1.123 -1.640) 2.945 2.363 ( 0.661 -1.286 1.436) 2.038 2.482 ( -2.901 0.733 -0.072) 2.994 2.540 ( 0.344 4.135 1.114) 4.296 2.632 ( 5.988 0.142 -1.516) 6.178 2.651 ( 6.523 3.359 0.589) 7.361 3.358 ( -1.092 2.259 -0.056) 2.510 3.374 ( 0.427 2.316 0.000) 2.355 3.922 ( -1.739 -5.258 -0.302) 5.546 3.935 ( -0.065 -4.809 0.273) 4.818 4.364 ( -8.029 2.730 -3.738) 9.268 4.471 ( 7.236 2.722 4.546) 8.969 4.687 ( -3.168 -0.067 0.879) 3.288 4.768 ( 3.124 -0.707 -2.034) 3.794 4.979 ( 0.281 0.032 2.082) 2.101 5.009 ( 1.311 -0.188 -1.874) 2.295 5.203 ( -1.269 0.280 1.456) 1.952 5.247 ( 1.450 0.505 -1.849) 2.403 5.378 ( -1.408 0.138 0.073) 1.417 5.397 ( 0.893 1.278 0.272) 1.582 5.561 ( -0.227 -1.370 -0.537) 1.489 5.567 ( 1.063 -1.899 0.673) 2.278 5.767 ( -0.675 0.706 -0.004) 0.977 5.778 ( 0.266 1.126 0.075) 1.159 5.847 ( 0.612 1.655 0.677) 1.890 5.859 ( 0.642 1.599 -0.659) 1.845 6.157 ( -1.675 -0.086 0.557) 1.767 6.182 ( 0.163 -0.244 -0.510) 0.589 6.384 ( -0.278 -0.372 -0.320) 0.565 6.391 ( 0.723 -0.829 0.266) 1.132 7.335 ( -0.765 1.019 -0.146) 1.282 7.339 ( -0.170 1.176 0.143) 1.196 7.913 ( 0.423 -1.570 0.301) 1.653 7.914 ( 0.151 -1.575 -0.300) 1.611 ======================= Grid point 166 (79/108) ======================= q-point: (-0.29 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -13.190 0.406 0.589) 13.209 0.730 ( -15.440 -0.130 1.747) 15.539 0.903 ( -5.369 0.863 -2.388) 5.939 0.984 ( -5.243 3.836 -1.424) 6.650 1.183 ( -11.836 2.093 1.247) 12.085 1.220 ( 1.058 1.847 1.047) 2.373 1.324 ( -2.476 2.496 0.051) 3.516 1.390 ( 1.601 0.273 -0.331) 1.658 1.423 ( 2.529 -0.556 0.714) 2.686 1.468 ( -0.847 3.006 -1.394) 3.420 1.889 ( -3.576 1.258 -0.085) 3.792 1.916 ( 0.947 -1.889 -1.451) 2.563 1.961 ( -2.168 -1.134 0.177) 2.453 2.133 ( 2.577 -1.679 1.199) 3.301 2.275 ( -3.783 -1.145 -2.227) 4.537 2.378 ( -1.201 -2.095 2.418) 3.417 2.455 ( -0.343 -1.240 -0.224) 1.306 2.536 ( -0.408 2.399 0.648) 2.519 2.781 ( 9.767 -0.128 -0.686) 9.792 2.823 ( 9.973 2.178 0.498) 10.220 3.326 ( -1.804 2.500 -0.742) 3.171 3.380 ( -0.273 1.542 0.752) 1.737 3.870 ( -2.574 -4.998 -0.895) 5.693 3.921 ( -1.776 -3.500 0.116) 3.927 4.217 ( -5.115 3.211 -1.478) 6.217 4.560 ( -4.543 2.798 1.578) 5.564 4.693 ( 6.203 -0.537 1.577) 6.423 4.779 ( 1.136 -0.196 -2.002) 2.310 5.019 ( 1.536 -0.898 1.670) 2.440 5.049 ( 3.668 0.136 -0.035) 3.671 5.185 ( -1.968 -0.205 0.886) 2.168 5.250 ( 0.236 0.893 -1.284) 1.582 5.354 ( -0.656 -1.344 -0.020) 1.495 5.414 ( 0.996 1.036 -0.493) 1.519 5.563 ( 0.786 -0.522 -0.080) 0.947 5.595 ( 1.358 -2.105 0.411) 2.539 5.753 ( -0.698 1.146 0.057) 1.343 5.783 ( -0.177 1.842 0.198) 1.861 5.869 ( 1.442 0.680 0.167) 1.603 5.880 ( 1.571 1.629 0.250) 2.276 6.125 ( -1.993 0.524 0.319) 2.086 6.166 ( -1.524 -0.202 -0.307) 1.568 6.383 ( 0.436 -0.574 -0.091) 0.727 6.404 ( 0.411 -0.966 0.063) 1.052 7.313 ( -1.264 0.946 -0.147) 1.586 7.331 ( -0.849 1.283 0.111) 1.543 7.918 ( 0.585 -1.614 -0.217) 1.731 7.927 ( 0.689 -1.571 0.223) 1.729 ======================= Grid point 167 (80/108) ======================= q-point: (-0.14 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -3.710 5.224 6.712) 9.280 0.506 ( -10.921 5.198 4.418) 12.876 0.758 ( -5.355 3.735 -0.638) 6.559 0.868 ( -14.125 6.763 1.380) 15.722 0.894 ( -8.399 6.873 -0.646) 10.872 1.159 ( -7.937 2.979 -2.069) 8.727 1.265 ( -1.171 3.130 0.423) 3.369 1.390 ( -1.802 6.255 -5.175) 8.316 1.518 ( 7.929 -0.695 1.381) 8.078 1.561 ( 7.381 2.145 -1.490) 7.830 1.825 ( -3.489 -1.010 0.078) 3.633 1.879 ( -3.337 0.406 -0.186) 3.367 1.949 ( 1.146 -0.246 -0.370) 1.229 2.152 ( -4.015 -2.135 -2.130) 5.022 2.202 ( 0.516 -1.691 1.146) 2.107 2.348 ( -3.806 -3.694 1.325) 5.466 2.468 ( 1.432 -0.358 0.572) 1.583 2.536 ( -0.146 1.238 -0.102) 1.251 2.941 ( 7.604 -1.005 -0.486) 7.685 2.988 ( 6.305 -0.309 0.767) 6.359 3.291 ( -0.741 2.645 -0.612) 2.815 3.369 ( -1.906 1.310 0.665) 2.406 3.832 ( -0.872 -3.900 0.004) 3.997 3.882 ( -1.976 -2.731 -0.337) 3.388 4.159 ( -0.835 3.398 1.239) 3.712 4.440 ( -6.213 3.693 -3.399) 7.986 4.797 ( 3.835 -0.997 1.324) 4.178 4.839 ( 3.661 -0.413 3.372) 4.994 5.056 ( 1.555 -2.021 0.265) 2.564 5.109 ( 1.263 -0.753 -0.408) 1.526 5.159 ( 0.241 0.571 0.165) 0.641 5.233 ( -1.432 0.949 0.081) 1.720 5.361 ( 1.008 -2.172 0.402) 2.428 5.422 ( 0.520 -0.566 -1.190) 1.417 5.584 ( 1.251 0.173 0.230) 1.284 5.617 ( 0.550 -2.017 0.011) 2.091 5.742 ( -0.638 2.095 0.248) 2.204 5.774 ( -0.685 2.552 -0.316) 2.661 5.903 ( 1.884 -0.007 -0.002) 1.884 5.909 ( 0.930 0.305 0.571) 1.133 6.097 ( -1.034 0.992 0.115) 1.437 6.128 ( -1.976 0.461 -0.388) 2.066 6.394 ( 0.397 -1.186 0.499) 1.346 6.410 ( 0.375 -0.843 -0.074) 0.925 7.293 ( -0.761 0.973 0.148) 1.244 7.313 ( -0.905 1.332 -0.192) 1.622 7.929 ( 0.625 -1.650 -0.038) 1.765 7.939 ( 0.378 -1.591 0.045) 1.636 ======================= Grid point 168 (81/108) ======================= q-point: ( 0.00 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 1.234 7.248 7.424) 10.449 0.700 ( -1.319 9.211 -4.460) 10.319 0.869 ( -7.078 11.522 4.733) 14.327 0.945 ( 7.750 8.213 -0.764) 11.318 0.992 ( 3.403 10.296 1.301) 10.921 1.076 ( -4.387 5.765 -4.778) 8.678 1.361 ( 0.384 4.893 2.557) 5.534 1.434 ( -1.173 4.910 -5.213) 7.257 1.632 ( 0.339 1.788 1.379) 2.283 1.664 ( -0.820 2.645 -1.929) 3.374 1.786 ( 2.740 -1.165 2.484) 3.878 1.824 ( -2.514 -0.383 -1.205) 2.814 1.988 ( 1.217 -0.821 1.752) 2.286 2.037 ( -1.039 0.419 -3.145) 3.338 2.172 ( -0.497 -5.097 2.447) 5.676 2.208 ( 1.178 -4.991 -1.450) 5.329 2.519 ( 1.305 1.629 1.606) 2.634 2.544 ( -1.170 1.870 -0.997) 2.420 2.986 ( -1.313 -2.564 0.696) 2.963 2.998 ( 1.264 -2.537 -0.569) 2.891 3.364 ( 1.283 3.226 0.788) 3.560 3.378 ( -1.259 3.376 -0.616) 3.656 3.761 ( 0.279 -4.337 0.636) 4.393 3.776 ( -0.345 -4.435 -0.912) 4.541 4.304 ( 3.056 5.561 4.825) 7.971 4.402 ( -3.353 5.587 -5.341) 8.425 4.835 ( -2.115 -3.177 1.283) 4.026 4.842 ( 2.860 -3.041 0.714) 4.235 5.060 ( -1.312 -0.694 -0.877) 1.725 5.062 ( 1.899 -0.073 -0.914) 2.109 5.202 ( -3.113 0.006 1.345) 3.391 5.213 ( 2.595 0.137 0.199) 2.606 5.347 ( 1.464 -1.995 0.667) 2.563 5.369 ( -1.394 -1.633 -1.600) 2.678 5.589 ( -0.786 -1.086 1.115) 1.743 5.604 ( 0.681 -0.744 -0.595) 1.171 5.810 ( 0.656 3.908 0.479) 3.992 5.819 ( -0.739 3.589 -0.442) 3.691 5.913 ( -0.528 0.759 1.222) 1.532 5.935 ( 0.411 0.959 -1.071) 1.495 6.116 ( -0.620 1.285 0.512) 1.516 6.126 ( 0.552 1.368 -0.600) 1.592 6.367 ( -0.089 -2.326 0.987) 2.528 6.385 ( 0.184 -2.058 -0.862) 2.239 7.322 ( 0.312 2.146 0.565) 2.241 7.333 ( -0.302 2.282 -0.578) 2.374 7.891 ( 0.237 -3.171 0.125) 3.183 7.894 ( -0.238 -3.125 -0.128) 3.137 ======================= Grid point 169 (82/108) ======================= q-point: ( 0.14 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.857 6.961 -1.814) 7.244 0.698 ( 2.936 7.957 1.700) 8.650 0.836 ( -0.106 7.456 2.565) 7.885 0.928 ( -1.054 5.772 -1.170) 5.983 1.098 ( 10.060 6.148 -2.375) 12.027 1.210 ( 9.102 6.607 2.149) 11.450 1.381 ( -0.131 4.528 -2.344) 5.100 1.394 ( -0.522 3.734 3.382) 5.065 1.548 ( -7.404 2.152 0.984) 7.773 1.582 ( -6.903 1.420 -1.174) 7.145 1.810 ( 1.536 -0.449 -0.134) 1.606 1.889 ( 5.002 -0.869 0.739) 5.131 1.949 ( -1.645 0.176 -1.078) 1.974 2.084 ( 1.909 -2.112 0.863) 2.975 2.163 ( 1.110 -3.361 -0.395) 3.562 2.273 ( 4.903 -5.188 -0.997) 7.207 2.500 ( -1.663 1.840 -0.968) 2.662 2.562 ( 1.403 2.233 0.803) 2.757 2.908 ( -6.460 -1.726 0.318) 6.694 2.976 ( -4.139 -1.892 -0.276) 4.559 3.359 ( 0.628 4.185 -0.375) 4.249 3.407 ( 1.807 2.391 0.362) 3.018 3.749 ( -0.558 -4.527 -0.079) 4.562 3.799 ( 1.795 -4.986 0.196) 5.303 4.317 ( -0.538 6.288 -4.383) 7.684 4.433 ( 5.381 4.215 4.995) 8.466 4.775 ( -4.026 -2.710 -0.002) 4.853 4.864 ( -1.100 -2.384 -1.320) 2.938 5.029 ( -0.784 0.026 -0.166) 0.802 5.098 ( 0.593 -0.455 -0.490) 0.894 5.159 ( -0.960 -0.224 0.412) 1.068 5.249 ( 0.939 0.348 0.392) 1.075 5.332 ( -0.819 -1.806 -1.449) 2.456 5.381 ( 1.216 -1.146 1.158) 2.033 5.573 ( -1.576 -0.807 0.860) 1.968 5.595 ( -1.145 -1.263 -0.693) 1.841 5.801 ( -0.639 3.308 -0.327) 3.386 5.826 ( 0.375 3.480 0.503) 3.537 5.905 ( -0.945 0.995 0.325) 1.410 5.931 ( -0.352 1.347 -0.127) 1.398 6.119 ( 0.887 1.006 0.110) 1.345 6.138 ( 0.787 0.890 -0.020) 1.188 6.372 ( -0.185 -1.879 0.347) 1.920 6.379 ( 0.126 -2.083 -0.526) 2.152 7.328 ( 0.440 2.118 -0.348) 2.192 7.342 ( 1.159 2.265 0.331) 2.565 7.884 ( -0.672 -3.084 -0.096) 3.158 7.893 ( -0.241 -3.139 0.097) 3.150 ======================= Grid point 170 (83/108) ======================= q-point: ( 0.29 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 6.490 4.101 -2.805) 8.173 0.792 ( 7.617 4.713 -0.002) 8.957 0.914 ( 5.872 4.491 1.621) 7.568 1.007 ( 7.208 3.139 3.059) 8.436 1.230 ( 2.908 1.161 -0.659) 3.200 1.289 ( -0.506 2.396 -1.277) 2.762 1.363 ( -4.397 -1.324 0.562) 4.626 1.384 ( 0.055 2.562 -0.177) 2.568 1.434 ( -7.703 4.549 3.423) 9.579 1.469 ( -1.341 -0.145 -0.185) 1.362 1.846 ( 1.515 -1.656 0.663) 2.340 1.931 ( 0.839 -1.173 0.260) 1.466 1.966 ( 3.089 -0.487 -2.994) 4.329 2.090 ( 0.196 -2.844 0.472) 2.889 2.213 ( 2.568 -2.252 0.809) 3.510 2.341 ( 3.498 -5.145 -2.172) 6.590 2.477 ( 0.380 2.726 -0.468) 2.792 2.590 ( 1.224 2.685 0.376) 2.975 2.773 ( -7.966 -0.022 0.184) 7.968 2.861 ( -7.371 0.833 -0.163) 7.420 3.386 ( 1.809 4.007 0.225) 4.402 3.432 ( 0.992 2.788 -0.392) 2.985 3.751 ( 0.677 -5.414 0.549) 5.484 3.828 ( 1.123 -6.088 -0.077) 6.192 4.312 ( 3.112 5.742 -1.966) 6.820 4.574 ( 5.330 2.334 3.868) 6.987 4.707 ( -3.291 -1.275 -0.370) 3.548 4.787 ( -4.605 0.030 -2.155) 5.085 5.017 ( -0.653 0.006 -0.444) 0.789 5.058 ( -3.004 0.038 -0.078) 3.006 5.189 ( 2.885 -0.782 -1.041) 3.165 5.253 ( -0.989 0.767 0.995) 1.599 5.327 ( 1.477 -1.734 -0.735) 2.393 5.409 ( 0.668 0.388 1.216) 1.440 5.550 ( -1.801 -1.005 0.381) 2.097 5.558 ( -1.740 -2.061 -0.422) 2.730 5.791 ( -0.171 2.687 -0.167) 2.697 5.830 ( -0.323 2.956 0.235) 2.983 5.888 ( -0.909 1.269 -0.091) 1.564 5.919 ( -0.965 2.241 0.204) 2.449 6.143 ( 1.312 0.549 -0.243) 1.443 6.154 ( 1.005 -0.240 0.351) 1.091 6.365 ( -0.389 -1.415 -0.119) 1.473 6.382 ( 0.187 -1.502 -0.111) 1.517 7.340 ( 0.993 1.997 -0.055) 2.231 7.366 ( 1.040 2.256 0.045) 2.485 7.871 ( -0.640 -2.993 0.069) 3.061 7.885 ( -0.525 -3.061 -0.066) 3.107 ======================= Grid point 171 (84/108) ======================= q-point: ( 0.43 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 8.430 3.503 1.836) 9.312 0.945 ( 4.478 2.087 2.445) 5.513 1.023 ( 5.755 1.084 -3.289) 6.717 1.140 ( -1.154 3.341 -0.425) 3.560 1.212 ( 4.962 -1.032 0.796) 5.130 1.220 ( -6.851 0.866 -0.847) 6.958 1.278 ( -1.827 0.170 0.669) 1.953 1.379 ( -2.961 -1.295 1.143) 3.428 1.391 ( -1.646 2.151 3.443) 4.380 1.442 ( -0.588 -4.358 -1.130) 4.540 1.867 ( 0.789 -4.556 -0.021) 4.624 1.936 ( -2.039 -3.827 -2.933) 5.235 1.984 ( 3.224 -0.140 1.812) 3.701 2.104 ( -0.048 -0.486 -2.403) 2.452 2.260 ( 1.489 -3.074 2.442) 4.199 2.353 ( 0.381 -4.074 -2.995) 5.070 2.522 ( 4.712 3.189 0.258) 5.695 2.606 ( -2.703 1.227 1.300) 3.240 2.659 ( -0.990 4.091 -0.702) 4.267 2.727 ( -6.456 3.447 -0.254) 7.323 3.414 ( 0.616 3.764 0.700) 3.877 3.439 ( 0.459 3.617 -0.921) 3.760 3.779 ( 1.235 -6.746 1.344) 6.989 3.832 ( -0.276 -7.064 -0.837) 7.119 4.392 ( 5.792 4.693 1.084) 7.533 4.596 ( -6.921 1.862 -3.451) 7.954 4.682 ( 2.794 0.357 2.182) 3.563 4.727 ( -0.661 0.207 0.564) 0.893 4.991 ( -1.605 0.882 0.196) 1.842 5.017 ( -0.576 -0.398 -1.598) 1.744 5.223 ( 0.688 0.370 0.111) 0.789 5.239 ( -0.267 -0.085 -0.236) 0.367 5.367 ( 2.644 -0.714 0.417) 2.770 5.417 ( -1.013 0.742 0.358) 1.306 5.519 ( -0.925 -1.808 0.403) 2.070 5.536 ( -0.725 -2.288 -0.240) 2.412 5.794 ( 0.476 2.465 0.150) 2.515 5.818 ( -0.916 2.494 -0.279) 2.671 5.879 ( -0.183 2.145 0.629) 2.243 5.903 ( -0.514 2.332 -0.479) 2.435 6.155 ( -0.209 -0.365 0.962) 1.050 6.175 ( 1.124 -0.425 -0.964) 1.541 6.362 ( -0.025 -1.104 0.450) 1.192 6.380 ( -0.063 -1.062 -0.518) 1.183 7.358 ( 0.755 1.984 0.324) 2.148 7.376 ( 0.169 2.172 -0.324) 2.202 7.864 ( -0.159 -2.928 0.242) 2.942 7.875 ( -0.370 -2.992 -0.241) 3.024 ======================= Grid point 172 (85/108) ======================= q-point: (-0.43 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -9.617 2.757 -0.941) 10.049 0.961 ( -7.739 0.935 2.401) 8.157 0.984 ( -1.193 1.126 -1.627) 2.311 1.104 ( 1.345 3.776 2.481) 4.714 1.217 ( -2.242 2.020 0.234) 3.026 1.231 ( 0.450 -1.530 -0.738) 1.757 1.293 ( 6.489 1.806 -1.109) 6.826 1.396 ( -1.125 -2.432 -0.868) 2.817 1.414 ( 0.905 -4.525 1.529) 4.861 1.435 ( 5.036 2.447 -0.361) 5.611 1.875 ( -1.348 -4.008 -0.386) 4.246 1.891 ( 0.320 -4.659 0.995) 4.774 2.032 ( -4.143 0.581 -2.865) 5.070 2.056 ( 1.838 -1.066 2.305) 3.135 2.300 ( 0.010 -4.414 2.309) 4.982 2.312 ( -1.670 -2.787 -2.873) 4.337 2.526 ( -4.175 2.846 -0.039) 5.053 2.629 ( -1.671 1.518 -0.675) 2.356 2.640 ( 5.268 3.675 0.894) 6.485 2.728 ( 6.318 3.923 -0.352) 7.445 3.418 ( -0.936 3.681 0.722) 3.867 3.433 ( -0.250 3.641 -0.727) 3.721 3.799 ( -1.298 -7.106 0.112) 7.224 3.817 ( 0.482 -6.953 -0.009) 6.969 4.429 ( -7.237 3.961 -2.658) 8.668 4.532 ( 6.690 3.356 3.088) 8.096 4.689 ( -2.544 0.423 1.225) 2.855 4.751 ( 2.108 -0.927 -1.751) 2.893 4.985 ( 0.365 0.597 1.079) 1.286 5.011 ( 1.696 0.555 -1.341) 2.232 5.205 ( -2.112 -0.199 1.114) 2.396 5.256 ( 1.720 0.319 -1.189) 2.115 5.374 ( -2.977 -0.654 -0.218) 3.056 5.417 ( 1.631 0.439 0.429) 1.743 5.520 ( 0.105 -2.599 0.332) 2.622 5.536 ( 1.330 -1.320 -0.271) 1.893 5.797 ( -0.711 2.597 -0.192) 2.700 5.811 ( 0.846 2.419 0.372) 2.589 5.887 ( 0.100 2.333 0.193) 2.343 5.898 ( 0.746 2.262 -0.261) 2.396 6.153 ( -1.080 -0.374 1.037) 1.543 6.176 ( -0.014 -0.420 -0.890) 0.984 6.370 ( 0.087 -1.401 0.319) 1.439 6.373 ( 0.064 -0.798 -0.412) 0.901 7.364 ( -0.854 2.014 -0.069) 2.189 7.371 ( -0.056 2.132 0.058) 2.133 7.869 ( 0.288 -2.961 0.085) 2.976 7.870 ( 0.241 -2.954 -0.084) 2.965 ======================= Grid point 173 (86/108) ======================= q-point: (-0.29 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -10.389 4.900 0.493) 11.497 0.758 ( -10.426 3.838 2.609) 11.412 0.952 ( -4.187 4.130 -1.577) 6.089 1.063 ( -4.750 4.001 -2.080) 6.550 1.215 ( -0.055 1.405 1.201) 1.849 1.272 ( -0.176 3.157 -0.322) 3.178 1.352 ( -0.790 0.443 1.158) 1.470 1.384 ( -0.517 -0.741 1.088) 1.414 1.436 ( 6.656 2.029 -1.004) 7.030 1.539 ( 5.778 3.692 -3.026) 7.495 1.867 ( 0.970 -2.993 -1.183) 3.361 1.904 ( -1.996 -1.520 3.047) 3.947 1.936 ( -3.733 -0.065 -0.568) 3.776 2.087 ( 0.604 -2.891 0.807) 3.061 2.245 ( -2.989 -2.258 -2.416) 4.457 2.298 ( -2.489 -5.336 2.019) 6.224 2.474 ( -1.192 2.669 -0.225) 2.932 2.588 ( -1.514 2.895 0.520) 3.308 2.779 ( 8.097 -0.062 -0.348) 8.105 2.857 ( 7.162 1.041 0.118) 7.239 3.391 ( -1.936 3.964 -0.322) 4.423 3.422 ( -0.843 2.750 0.520) 2.923 3.765 ( -1.221 -5.601 -0.807) 5.789 3.823 ( -0.594 -6.169 0.452) 6.213 4.299 ( -4.985 5.126 -0.518) 7.169 4.621 ( -3.991 3.073 -0.431) 5.055 4.682 ( 5.295 -0.300 1.856) 5.619 4.768 ( 1.786 -1.055 -0.609) 2.162 5.009 ( 1.269 -0.047 0.441) 1.345 5.059 ( 3.724 1.004 -0.291) 3.868 5.173 ( -2.220 -0.952 0.660) 2.504 5.265 ( -0.531 0.180 -0.158) 0.583 5.325 ( -1.316 -1.349 -0.466) 1.941 5.427 ( -0.347 0.093 -0.543) 0.651 5.541 ( 1.532 -1.900 0.815) 2.573 5.563 ( 1.710 -1.008 -0.484) 2.044 5.790 ( 0.051 2.838 -0.030) 2.839 5.828 ( 0.456 2.843 0.411) 2.908 5.889 ( 0.532 1.453 -0.225) 1.564 5.920 ( 1.212 2.330 0.130) 2.630 6.136 ( -1.248 0.517 0.408) 1.412 6.161 ( -0.969 -0.266 -0.281) 1.043 6.364 ( -0.284 -1.546 -0.001) 1.572 6.381 ( 0.433 -1.328 -0.051) 1.398 7.341 ( -1.304 1.977 -0.121) 2.372 7.365 ( -0.726 2.248 0.104) 2.365 7.873 ( 0.509 -3.037 -0.194) 3.086 7.883 ( 0.657 -3.008 0.193) 3.085 ======================= Grid point 174 (87/108) ======================= q-point: (-0.14 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -3.072 5.531 5.534) 8.405 0.676 ( 0.084 11.723 3.166) 12.143 0.880 ( -0.462 8.363 -1.981) 8.607 0.982 ( -1.174 4.701 -5.245) 7.141 1.050 ( -12.469 8.363 2.347) 15.196 1.237 ( -7.924 5.013 -0.385) 9.384 1.335 ( 0.713 3.405 1.918) 3.973 1.482 ( 1.922 2.288 -4.709) 5.577 1.513 ( 7.514 0.783 2.627) 7.998 1.623 ( 6.347 4.244 -3.393) 8.355 1.818 ( -4.259 0.225 -1.108) 4.407 1.879 ( -2.946 -0.237 1.572) 3.347 1.928 ( 2.141 -1.781 0.645) 2.858 2.103 ( -0.083 -2.898 -0.381) 2.924 2.162 ( -3.195 -2.280 -0.596) 3.970 2.251 ( -3.613 -5.890 0.910) 6.969 2.479 ( 1.151 1.705 1.048) 2.308 2.570 ( -1.039 2.326 0.006) 2.547 2.915 ( 6.461 -1.645 -0.330) 6.676 2.968 ( 4.030 -1.732 0.416) 4.406 3.356 ( -1.145 3.857 -0.055) 4.024 3.407 ( -1.313 2.705 0.280) 3.020 3.750 ( 0.081 -4.477 -0.211) 4.483 3.804 ( -1.423 -4.982 -0.269) 5.188 4.250 ( -0.997 5.772 2.472) 6.358 4.519 ( -4.548 4.123 -3.815) 7.228 4.767 ( 3.526 -2.084 0.738) 4.162 4.823 ( 1.882 -1.414 2.581) 3.493 5.034 ( 1.463 -0.353 -0.513) 1.590 5.100 ( -0.475 -0.146 -0.930) 1.054 5.159 ( 1.814 -0.156 0.558) 1.904 5.239 ( -2.283 -0.425 1.199) 2.613 5.322 ( 0.920 -1.533 -0.240) 1.804 5.405 ( -1.060 -1.021 -1.284) 1.953 5.576 ( 0.984 -1.298 1.156) 1.997 5.588 ( 1.491 -0.788 -0.559) 1.777 5.796 ( 0.495 3.489 0.185) 3.529 5.832 ( -0.244 3.291 -0.078) 3.301 5.903 ( 0.627 0.584 0.536) 1.011 5.935 ( 0.495 1.794 -0.415) 1.907 6.121 ( -0.442 1.347 -0.035) 1.418 6.138 ( -1.200 0.521 -0.108) 1.312 6.362 ( -0.242 -2.146 0.706) 2.272 6.386 ( 0.344 -1.660 -0.525) 1.775 7.321 ( -0.712 2.035 0.265) 2.172 7.349 ( -0.875 2.317 -0.276) 2.492 7.883 ( 0.563 -3.124 -0.007) 3.175 7.893 ( 0.350 -3.091 0.003) 3.111 ======================= Grid point 175 (88/108) ======================= q-point: ( 0.00 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 2.871 7.829 6.282) 10.440 0.843 ( -2.880 6.261 -5.984) 9.127 1.069 ( -6.058 9.069 2.455) 11.179 1.108 ( 5.006 8.219 -1.417) 9.727 1.186 ( 7.001 9.439 1.202) 11.814 1.214 ( -6.265 7.923 -1.224) 10.175 1.411 ( 0.349 0.156 2.235) 2.268 1.469 ( -0.632 -1.112 -3.741) 3.953 1.677 ( 1.743 2.389 2.037) 3.591 1.723 ( -1.701 2.507 -2.750) 4.091 1.774 ( -0.033 -0.206 2.752) 2.760 1.819 ( -1.127 -0.045 -1.613) 1.968 1.975 ( 1.531 -0.165 3.460) 3.787 2.035 ( -2.340 -1.593 -1.280) 3.107 2.085 ( 0.611 -2.600 -0.332) 2.692 2.105 ( 1.849 -5.449 -1.670) 5.991 2.566 ( 1.376 3.316 1.651) 3.952 2.595 ( -1.269 3.349 -1.230) 3.787 2.933 ( -1.206 -2.783 0.757) 3.126 2.948 ( 1.082 -2.560 -0.710) 2.868 3.430 ( 0.922 3.539 0.908) 3.768 3.447 ( -0.916 3.793 -0.878) 3.999 3.676 ( 0.350 -4.267 0.718) 4.341 3.692 ( -0.445 -4.150 -0.874) 4.265 4.413 ( 2.184 5.478 4.395) 7.355 4.500 ( -2.293 4.280 -4.542) 6.649 4.764 ( -1.175 -4.094 0.844) 4.342 4.773 ( 1.401 -4.054 -0.120) 4.291 5.057 ( -0.316 0.773 0.574) 1.013 5.080 ( 0.858 1.580 -1.696) 2.471 5.199 ( -2.070 -0.351 1.594) 2.636 5.216 ( 1.705 0.306 -0.121) 1.737 5.320 ( 1.222 -0.553 1.446) 1.972 5.355 ( -1.197 0.254 -2.190) 2.509 5.563 ( -0.360 -1.601 1.129) 1.992 5.581 ( 0.279 -1.685 -0.730) 1.858 5.885 ( 0.671 3.785 0.101) 3.846 5.887 ( -0.751 3.468 -0.146) 3.551 5.939 ( 0.081 1.832 1.064) 2.120 5.961 ( -0.079 1.641 -1.140) 2.000 6.137 ( -0.755 0.888 0.611) 1.316 6.149 ( 0.655 0.866 -0.562) 1.223 6.316 ( 0.089 -2.854 1.069) 3.049 6.337 ( -0.015 -2.862 -1.064) 3.054 7.372 ( 0.310 3.142 0.649) 3.223 7.385 ( -0.292 3.156 -0.645) 3.234 7.818 ( 0.166 -4.399 0.171) 4.406 7.822 ( -0.170 -4.349 -0.177) 4.356 ======================= Grid point 176 (89/108) ======================= q-point: ( 0.14 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.587 6.916 -4.399) 8.217 0.850 ( 3.871 7.729 4.350) 9.677 1.005 ( -2.540 9.442 2.714) 10.148 1.063 ( -4.558 8.156 -1.545) 9.470 1.203 ( 4.798 4.650 -1.272) 6.801 1.331 ( 4.309 5.633 1.254) 7.202 1.410 ( -2.339 -0.838 -0.303) 2.503 1.430 ( -0.772 0.039 0.520) 0.932 1.594 ( -7.237 1.433 -3.017) 7.970 1.645 ( -5.733 4.913 3.365) 8.266 1.809 ( 0.305 -0.028 -0.294) 0.425 1.854 ( 3.009 -2.144 1.478) 3.979 1.957 ( -1.084 -0.246 -0.977) 1.480 2.037 ( -0.913 -2.219 0.648) 2.485 2.099 ( 3.463 -3.313 -0.330) 4.804 2.170 ( 4.998 -5.103 -2.008) 7.419 2.553 ( -1.195 3.506 -1.072) 3.856 2.613 ( 1.560 3.055 0.915) 3.550 2.873 ( -5.271 -1.855 0.613) 5.622 2.932 ( -2.571 -2.462 -0.416) 3.584 3.434 ( 0.500 3.407 -0.427) 3.470 3.463 ( 1.557 3.349 0.393) 3.714 3.667 ( -0.806 -3.902 -0.088) 3.985 3.700 ( 0.732 -4.897 0.291) 4.960 4.433 ( -0.358 5.505 -4.030) 6.832 4.513 ( 3.837 3.850 4.322) 6.944 4.718 ( -2.654 -3.063 0.203) 4.058 4.805 ( 0.712 -3.620 -0.652) 3.747 5.041 ( -0.894 1.197 -0.057) 1.495 5.104 ( 1.605 1.041 -0.944) 2.134 5.160 ( -2.202 0.396 0.815) 2.381 5.246 ( 1.088 -0.595 0.033) 1.240 5.316 ( -0.811 0.221 -1.692) 1.889 5.362 ( 1.715 -0.549 1.486) 2.335 5.553 ( -1.707 -1.477 0.989) 2.464 5.564 ( -1.404 -1.925 -0.817) 2.519 5.869 ( -0.992 3.625 -0.053) 3.758 5.896 ( 0.267 3.717 0.226) 3.734 5.931 ( -0.834 1.649 -0.226) 1.862 5.964 ( 0.289 1.923 0.234) 1.959 6.135 ( 0.210 0.572 0.281) 0.671 6.153 ( 0.166 0.751 -0.100) 0.775 6.330 ( 0.191 -2.837 -0.892) 2.980 6.332 ( 0.687 -2.441 0.710) 2.633 7.378 ( 0.318 3.086 -0.347) 3.122 7.394 ( 1.126 3.101 0.315) 3.314 7.813 ( -0.506 -4.210 -0.130) 4.243 7.820 ( -0.185 -4.381 0.136) 4.387 ======================= Grid point 177 (90/108) ======================= q-point: ( 0.29 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 5.443 6.442 -1.675) 8.598 0.915 ( 2.831 7.890 -0.945) 8.436 1.024 ( 2.089 6.614 2.019) 7.224 1.074 ( 4.288 3.645 2.512) 6.163 1.246 ( -0.479 0.308 0.237) 0.617 1.331 ( -2.985 0.337 -0.883) 3.131 1.352 ( -5.798 2.556 1.186) 6.447 1.421 ( 0.061 1.499 -0.832) 1.716 1.455 ( -4.600 -1.111 -1.669) 5.018 1.557 ( -6.630 6.844 3.451) 10.135 1.796 ( -1.767 -3.438 0.200) 3.871 1.901 ( 2.066 -1.661 0.917) 2.805 1.924 ( -2.114 -3.748 -2.599) 5.028 2.053 ( 2.874 -1.615 -0.568) 3.345 2.156 ( 1.842 -3.632 1.131) 4.227 2.235 ( 3.904 -5.638 -2.468) 7.288 2.539 ( 0.780 3.474 -0.586) 3.609 2.641 ( 0.791 2.618 0.385) 2.761 2.772 ( -5.575 -0.077 0.682) 5.617 2.859 ( -4.539 -0.897 -0.306) 4.637 3.456 ( 1.567 3.033 0.382) 3.435 3.488 ( 1.289 2.638 -0.649) 3.007 3.657 ( -0.354 -4.262 0.409) 4.296 3.707 ( -0.246 -5.903 0.016) 5.908 4.424 ( 2.377 5.694 -1.919) 6.462 4.615 ( 3.212 1.829 3.101) 4.825 4.686 ( -1.126 -0.925 0.663) 1.601 4.779 ( -2.001 -0.730 -2.059) 2.962 5.028 ( -0.395 1.006 -0.492) 1.187 5.076 ( -3.300 1.791 0.254) 3.764 5.175 ( 2.850 -0.630 -0.935) 3.065 5.255 ( -0.541 -0.744 0.666) 1.135 5.305 ( 1.003 -0.170 -0.711) 1.242 5.406 ( 1.739 -0.737 0.904) 2.094 5.518 ( -2.572 -2.186 -0.850) 3.480 5.524 ( -2.227 -1.642 0.978) 2.935 5.855 ( -0.533 3.708 0.164) 3.750 5.896 ( -0.338 3.845 -0.067) 3.860 5.918 ( -0.291 1.856 -0.033) 1.879 5.963 ( -0.683 2.262 0.303) 2.382 6.148 ( 0.828 -0.368 -0.210) 0.930 6.154 ( -0.005 0.571 0.289) 0.640 6.329 ( 0.298 -2.296 -0.248) 2.329 6.349 ( 0.654 -1.929 0.043) 2.037 7.388 ( 0.885 2.960 -0.054) 3.090 7.416 ( 0.964 2.974 0.019) 3.127 7.803 ( -0.466 -3.997 0.008) 4.024 7.814 ( -0.426 -4.240 0.005) 4.261 ======================= Grid point 178 (91/108) ======================= q-point: ( 0.43 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 7.922 5.508 1.208) 9.724 0.990 ( 4.683 3.358 0.141) 5.764 1.074 ( 0.465 3.919 -0.984) 4.067 1.142 ( -4.410 -2.032 -0.369) 4.869 1.214 ( 0.740 1.667 2.542) 3.128 1.237 ( -0.686 1.744 -0.567) 1.958 1.309 ( -0.951 2.236 0.194) 2.438 1.365 ( -4.438 -0.993 -0.610) 4.589 1.420 ( 0.737 1.478 0.305) 1.680 1.474 ( -4.666 5.944 1.685) 7.742 1.769 ( -1.078 -5.429 0.804) 5.593 1.847 ( -2.221 -5.099 -3.686) 6.672 1.962 ( 2.419 -2.014 2.453) 3.990 2.072 ( -0.012 -2.763 -2.822) 3.949 2.194 ( 0.672 -3.818 2.538) 4.634 2.262 ( 1.545 -5.274 -2.789) 6.163 2.572 ( 2.939 2.014 -0.066) 3.564 2.630 ( -2.686 1.164 0.126) 2.930 2.722 ( -0.011 2.387 0.964) 2.574 2.778 ( -3.333 1.479 -0.590) 3.694 3.482 ( 0.420 2.977 0.770) 3.104 3.502 ( 1.068 2.424 -1.142) 2.885 3.660 ( -0.022 -5.333 0.992) 5.425 3.694 ( -0.680 -6.781 -0.664) 6.847 4.485 ( 4.547 4.871 0.869) 6.720 4.629 ( -3.748 1.706 -1.513) 4.387 4.694 ( 0.292 0.680 2.317) 2.432 4.738 ( 0.544 1.021 -1.440) 1.847 5.018 ( -0.602 0.670 -0.294) 0.948 5.023 ( -1.327 2.425 -0.494) 2.809 5.218 ( 2.641 -0.906 -1.100) 3.001 5.234 ( -2.327 -0.454 1.164) 2.641 5.346 ( 3.336 -1.154 0.201) 3.535 5.420 ( -1.880 -0.602 -0.265) 1.992 5.479 ( 0.342 -2.356 -0.373) 2.410 5.493 ( -1.996 -2.254 0.894) 3.141 5.855 ( 0.253 3.694 0.478) 3.734 5.883 ( -0.740 4.092 -0.500) 4.188 5.922 ( 0.446 2.271 0.530) 2.374 5.949 ( -0.772 2.380 -0.204) 2.510 6.150 ( -0.650 -0.173 0.952) 1.166 6.164 ( 0.959 -0.542 -0.977) 1.472 6.335 ( 0.169 -1.676 0.526) 1.765 6.355 ( 0.240 -1.651 -0.616) 1.778 7.405 ( 0.730 2.857 0.372) 2.973 7.425 ( 0.121 2.881 -0.392) 2.910 7.798 ( -0.084 -3.877 0.155) 3.881 7.806 ( -0.326 -4.078 -0.144) 4.094 ======================= Grid point 179 (92/108) ======================= q-point: (-0.43 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -8.294 5.395 -1.105) 9.956 0.985 ( -8.827 2.795 0.769) 9.291 1.046 ( 4.196 4.118 1.516) 6.072 1.132 ( 3.612 -0.063 0.642) 3.669 1.226 ( -1.013 1.533 0.068) 1.838 1.246 ( 0.327 0.723 -0.482) 0.928 1.336 ( 1.799 -1.146 -0.722) 2.252 1.351 ( 5.596 2.451 -0.920) 6.178 1.417 ( -1.857 2.724 0.716) 3.373 1.487 ( 5.611 3.081 0.487) 6.420 1.781 ( 0.685 -5.230 2.205) 5.717 1.800 ( 0.412 -4.712 -1.773) 5.052 2.012 ( -1.567 -2.472 -0.851) 3.048 2.024 ( -0.001 -2.055 0.326) 2.081 2.207 ( -1.775 -5.025 2.015) 5.698 2.249 ( -0.225 -3.947 -2.437) 4.644 2.574 ( -2.599 2.205 -0.254) 3.417 2.635 ( 3.068 0.345 -0.407) 3.114 2.718 ( -0.952 2.940 1.307) 3.356 2.781 ( 3.973 1.402 -0.828) 4.294 3.483 ( -0.970 2.643 0.864) 2.945 3.500 ( -0.447 2.904 -1.061) 3.124 3.666 ( -0.488 -6.333 0.748) 6.396 3.688 ( 1.014 -5.964 -0.467) 6.067 4.512 ( -5.769 4.581 -1.771) 7.577 4.594 ( 4.989 2.974 1.908) 6.113 4.703 ( -1.398 0.861 1.886) 2.501 4.739 ( 0.472 -0.106 -1.977) 2.035 5.003 ( -0.031 1.327 0.513) 1.423 5.036 ( 2.527 2.108 -1.120) 3.476 5.194 ( -2.875 -0.908 1.251) 3.264 5.253 ( 1.594 -0.765 -0.655) 1.886 5.357 ( -3.202 -0.918 -0.922) 3.457 5.410 ( 2.411 -0.996 0.688) 2.698 5.469 ( -0.661 -2.694 0.643) 2.848 5.508 ( 2.125 -1.847 -0.521) 2.863 5.865 ( -0.413 4.171 -0.416) 4.212 5.871 ( 0.687 3.676 0.558) 3.781 5.933 ( -0.419 2.396 -0.482) 2.480 5.942 ( 1.026 2.362 0.416) 2.609 6.145 ( -0.790 -0.326 0.998) 1.314 6.167 ( 0.250 -0.415 -0.841) 0.970 6.338 ( -0.574 -1.865 0.436) 2.000 6.352 ( 0.241 -1.452 -0.529) 1.564 7.411 ( -0.855 2.853 -0.003) 2.978 7.419 ( 0.018 2.883 -0.015) 2.883 7.802 ( 0.053 -4.015 -0.136) 4.018 7.803 ( 0.358 -3.937 0.140) 3.956 ======================= Grid point 180 (93/108) ======================= q-point: (-0.29 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -8.013 7.250 -0.110) 10.807 0.885 ( -2.923 8.768 1.778) 9.412 1.048 ( -1.315 5.443 -0.245) 5.604 1.124 ( -3.342 2.270 -1.943) 4.483 1.250 ( 1.398 2.462 0.074) 2.832 1.319 ( 3.198 0.597 0.153) 3.257 1.364 ( 4.461 0.775 1.146) 4.671 1.386 ( -0.068 2.393 0.154) 2.399 1.460 ( 4.248 -0.429 -1.332) 4.473 1.608 ( 7.086 3.745 -1.072) 8.086 1.805 ( 2.050 -3.212 -0.876) 3.910 1.843 ( 1.082 -3.895 3.991) 5.681 1.942 ( -2.564 -0.296 -1.726) 3.105 2.033 ( -1.227 -2.625 1.204) 3.138 2.167 ( -3.320 -5.327 0.498) 6.296 2.215 ( -1.978 -3.441 -1.087) 4.116 2.536 ( -1.173 3.492 -0.277) 3.694 2.644 ( -0.903 2.765 0.115) 2.911 2.778 ( 5.593 -0.023 0.145) 5.595 2.858 ( 4.480 -0.857 -0.279) 4.569 3.463 ( -1.965 3.074 -0.091) 3.650 3.477 ( -0.787 2.682 0.192) 2.802 3.663 ( -0.047 -4.957 -0.105) 4.958 3.707 ( 0.715 -5.354 0.080) 5.402 4.407 ( -4.205 5.961 -0.105) 7.295 4.653 ( -1.427 0.344 -1.073) 1.818 4.699 ( 0.973 1.679 0.747) 2.080 4.740 ( 1.570 -1.639 0.660) 2.364 5.020 ( 1.262 1.241 0.179) 1.779 5.088 ( 3.564 1.944 -0.979) 4.176 5.154 ( -2.449 -0.825 1.167) 2.835 5.251 ( -1.712 -1.108 0.681) 2.150 5.312 ( -0.576 -0.285 -1.056) 1.236 5.417 ( -0.974 -0.970 -0.206) 1.390 5.501 ( 2.418 -2.124 0.842) 3.326 5.541 ( 2.065 -1.580 -0.702) 2.693 5.860 ( 0.354 4.219 -0.343) 4.248 5.890 ( 0.528 3.437 0.583) 3.526 5.923 ( -0.034 2.029 -0.476) 2.084 5.965 ( 0.936 2.339 0.107) 2.521 6.140 ( -0.380 -0.139 0.482) 0.630 6.160 ( -0.456 0.226 -0.212) 0.551 6.325 ( -0.902 -2.389 0.135) 2.557 6.352 ( 0.023 -1.768 -0.256) 1.787 7.388 ( -1.250 2.959 -0.104) 3.214 7.415 ( -0.600 2.965 0.096) 3.027 7.804 ( 0.352 -4.104 -0.107) 4.120 7.814 ( 0.541 -4.126 0.102) 4.163 ======================= Grid point 181 (94/108) ======================= q-point: (-0.14 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -2.225 8.168 3.805) 9.282 0.898 ( 1.435 10.508 -0.385) 10.613 1.051 ( 1.403 8.715 -2.487) 9.170 1.065 ( 2.223 4.700 -1.243) 5.345 1.188 ( -5.965 5.996 0.159) 8.459 1.335 ( -4.911 4.635 0.937) 6.817 1.375 ( 1.615 0.553 1.614) 2.349 1.490 ( 2.634 -1.255 -3.955) 4.915 1.537 ( 8.040 1.504 2.725) 8.622 1.707 ( 4.605 3.930 -2.234) 6.453 1.812 ( -1.304 -1.165 -1.184) 2.112 1.861 ( -1.633 -2.041 1.001) 2.799 1.917 ( 0.100 1.280 2.428) 2.747 2.038 ( 1.821 -3.856 0.476) 4.291 2.104 ( -3.859 -4.355 0.302) 5.826 2.155 ( -3.170 -3.106 -1.408) 4.656 2.532 ( 0.619 3.694 0.829) 3.837 2.625 ( -1.119 3.337 -0.279) 3.531 2.882 ( 5.043 -1.715 -0.215) 5.331 2.926 ( 2.587 -2.438 0.103) 3.556 3.428 ( -1.294 3.410 0.201) 3.653 3.468 ( -0.646 3.404 -0.090) 3.466 3.664 ( 0.281 -4.312 0.110) 4.322 3.708 ( -0.359 -4.570 -0.422) 4.603 4.369 ( -0.951 6.269 2.532) 6.828 4.585 ( -3.077 2.511 -3.111) 5.045 4.723 ( 2.096 -2.431 -0.299) 3.224 4.781 ( 0.245 -2.925 1.704) 3.394 5.043 ( 1.164 1.290 -0.291) 1.761 5.102 ( -1.178 0.415 -0.672) 1.418 5.164 ( 2.584 0.694 0.390) 2.704 5.228 ( -1.746 -0.404 1.614) 2.412 5.302 ( -0.052 -0.736 0.032) 0.739 5.392 ( -0.944 -0.139 -1.479) 1.760 5.545 ( 1.243 -1.820 1.111) 2.468 5.569 ( 1.577 -1.480 -0.697) 2.273 5.870 ( 0.884 4.047 -0.134) 4.145 5.896 ( -0.152 3.358 0.134) 3.364 5.926 ( 0.408 1.717 0.269) 1.786 5.972 ( -0.022 2.015 -0.483) 2.072 6.141 ( 0.457 0.450 -0.306) 0.710 6.149 ( -0.863 0.777 0.386) 1.224 6.314 ( -0.625 -2.843 0.688) 2.992 6.347 ( -0.145 -2.374 -0.700) 2.479 7.371 ( -0.629 3.087 0.324) 3.167 7.401 ( -0.800 3.088 -0.308) 3.205 7.811 ( 0.408 -4.270 0.051) 4.290 7.822 ( 0.279 -4.316 -0.063) 4.326 ======================= Grid point 182 (95/108) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 2.866 8.995 3.722) 10.147 0.962 ( -3.134 6.487 -3.918) 8.201 1.217 ( -3.047 6.406 1.504) 7.251 1.242 ( 2.693 5.211 -1.030) 5.955 1.337 ( 4.118 5.065 1.100) 6.620 1.346 ( -3.517 4.182 0.191) 5.467 1.375 ( 0.053 -2.671 1.386) 3.010 1.410 ( -0.220 -3.258 -2.052) 3.856 1.707 ( 2.843 0.798 1.591) 3.354 1.746 ( -2.500 0.249 -2.384) 3.464 1.770 ( -1.798 -0.264 2.881) 3.406 1.819 ( 1.153 -0.214 -1.870) 2.207 1.946 ( -1.429 -3.255 2.208) 4.185 1.985 ( 2.611 -3.836 -1.706) 4.944 2.038 ( -0.767 0.494 1.917) 2.123 2.080 ( 0.252 0.513 -2.129) 2.205 2.641 ( 1.261 4.302 1.067) 4.609 2.667 ( -1.226 3.940 -1.438) 4.369 2.883 ( -0.942 -2.376 0.932) 2.720 2.903 ( 0.818 -2.242 -1.055) 2.610 3.495 ( 0.651 3.059 1.147) 3.331 3.517 ( -0.668 3.268 -1.162) 3.532 3.606 ( 0.546 -2.838 0.840) 3.009 3.624 ( -0.571 -2.762 -0.972) 2.983 4.503 ( 1.373 3.799 2.923) 4.986 4.560 ( -1.372 2.013 -2.832) 3.736 4.684 ( -0.598 -4.078 0.411) 4.142 4.693 ( 0.685 -4.128 -0.515) 4.216 5.086 ( -1.058 2.049 1.650) 2.836 5.121 ( 1.468 2.317 -1.749) 3.253 5.191 ( -1.427 -0.242 1.866) 2.362 5.221 ( 0.943 0.224 -1.241) 1.575 5.333 ( 1.060 1.938 2.047) 3.011 5.376 ( -0.864 1.725 -2.257) 2.969 5.524 ( -0.203 -2.583 0.964) 2.765 5.540 ( 0.142 -2.646 -0.663) 2.732 5.949 ( -0.367 2.940 0.130) 2.966 5.954 ( 0.310 3.301 -0.373) 3.336 5.976 ( 0.301 1.835 0.873) 2.054 5.994 ( -0.362 1.725 -0.976) 2.015 6.148 ( -0.728 0.256 0.508) 0.924 6.158 ( 0.662 0.087 -0.485) 0.825 6.261 ( 0.463 -2.810 0.888) 2.984 6.278 ( -0.396 -3.206 -0.862) 3.343 7.442 ( 0.256 4.056 0.605) 4.108 7.453 ( -0.237 3.959 -0.602) 4.011 7.726 ( 0.072 -5.130 0.232) 5.136 7.730 ( -0.078 -5.053 -0.235) 5.059 ======================= Grid point 183 (96/108) ======================= q-point: ( 0.14 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.512 8.029 -2.961) 8.573 0.993 ( 4.275 7.214 3.548) 9.105 1.172 ( -2.731 7.660 1.531) 8.275 1.226 ( -5.729 8.170 -1.826) 10.144 1.262 ( -0.615 0.708 0.456) 1.043 1.379 ( -0.748 -1.235 -0.491) 1.525 1.382 ( -0.945 -3.622 0.344) 3.759 1.427 ( 2.520 2.688 0.122) 3.687 1.624 ( -6.761 1.978 -2.559) 7.494 1.712 ( -2.897 1.569 2.448) 4.104 1.791 ( -1.414 -1.304 1.704) 2.569 1.838 ( 2.565 -0.013 -1.193) 2.829 1.913 ( -2.843 -3.571 0.255) 4.572 1.991 ( -0.178 -4.282 -2.181) 4.808 2.050 ( 1.291 -0.364 1.776) 2.225 2.103 ( 2.580 -1.839 -1.171) 3.378 2.626 ( -1.345 3.921 -1.043) 4.275 2.676 ( 0.963 3.357 0.894) 3.605 2.839 ( -4.119 -1.614 0.810) 4.497 2.886 ( -1.892 -2.267 -0.574) 3.008 3.490 ( -0.460 2.461 -0.260) 2.517 3.522 ( 0.436 2.336 0.127) 2.380 3.604 ( -0.561 -2.454 -0.515) 2.570 3.623 ( 0.225 -2.972 0.721) 3.066 4.521 ( 0.154 3.630 -2.522) 4.423 4.572 ( 2.879 2.311 2.594) 4.512 4.663 ( -0.648 -2.517 0.244) 2.610 4.730 ( 2.360 -4.112 -0.460) 4.763 5.074 ( -1.396 2.081 1.014) 2.703 5.135 ( 1.293 1.959 -1.640) 2.863 5.172 ( -1.889 0.748 1.312) 2.418 5.229 ( 0.596 -1.023 -0.496) 1.283 5.338 ( -0.716 1.935 -2.213) 3.026 5.368 ( 0.663 1.190 1.847) 2.295 5.512 ( -1.764 -2.700 0.607) 3.282 5.523 ( -1.343 -2.410 -0.493) 2.802 5.934 ( -0.913 3.017 0.260) 3.163 5.962 ( -0.192 2.383 -0.468) 2.437 5.969 ( -0.083 2.786 0.055) 2.787 6.000 ( 0.441 1.704 0.372) 1.800 6.140 ( -0.222 0.002 0.081) 0.236 6.167 ( 0.340 0.737 0.092) 0.817 6.268 ( 0.447 -3.402 -0.847) 3.534 6.284 ( 1.043 -2.609 0.653) 2.885 7.446 ( 0.202 3.986 -0.281) 4.001 7.461 ( 0.950 3.838 0.247) 3.962 7.725 ( -0.214 -4.875 -0.201) 4.884 7.728 ( -0.091 -5.073 0.212) 5.078 ======================= Grid point 184 (97/108) ======================= q-point: ( 0.29 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 3.563 7.589 -0.617) 8.407 1.071 ( 0.664 7.370 0.752) 7.438 1.147 ( 0.462 4.508 -1.346) 4.727 1.155 ( -0.864 6.771 1.443) 6.977 1.238 ( -2.685 -1.227 2.197) 3.680 1.339 ( -1.992 0.217 -1.498) 2.501 1.376 ( -1.657 -1.650 1.951) 3.045 1.442 ( 0.274 0.262 -2.240) 2.272 1.470 ( -6.675 4.451 -1.813) 8.225 1.670 ( -3.818 3.590 1.880) 5.567 1.737 ( -4.687 -1.445 0.356) 4.918 1.843 ( -2.868 -3.879 -3.503) 5.962 1.873 ( 0.727 -1.461 2.082) 2.645 1.993 ( 1.874 -4.889 -1.298) 5.394 2.088 ( 0.605 -3.068 2.211) 3.830 2.134 ( 2.129 -4.588 -1.622) 5.312 2.603 ( -0.364 3.114 -0.507) 3.176 2.685 ( -0.829 1.780 0.223) 1.977 2.770 ( -3.377 -0.033 0.958) 3.510 2.833 ( -3.005 -1.582 -0.434) 3.424 3.496 ( 0.933 1.151 0.489) 1.560 3.519 ( -0.061 0.498 -0.736) 0.891 3.590 ( -0.874 -2.616 -0.140) 2.762 3.624 ( -0.821 -2.683 0.527) 2.855 4.525 ( 2.084 4.744 -1.023) 5.282 4.643 ( 2.377 1.095 1.459) 2.997 4.673 ( 0.973 -0.345 1.282) 1.646 4.756 ( 1.333 -1.790 -1.582) 2.736 5.056 ( -1.182 1.892 0.561) 2.301 5.115 ( -2.256 1.907 -0.238) 2.964 5.172 ( 1.491 0.466 -0.745) 1.731 5.230 ( -0.406 -1.654 0.139) 1.708 5.320 ( 0.396 1.554 -1.089) 1.938 5.391 ( 0.712 -0.472 0.855) 1.209 5.473 ( -2.529 -2.495 -0.420) 3.577 5.486 ( -2.445 -2.353 0.420) 3.419 5.924 ( -0.585 3.251 0.621) 3.361 5.952 ( -0.098 1.722 -0.104) 1.728 5.971 ( -0.021 3.379 -0.301) 3.392 6.004 ( -0.411 1.959 0.379) 2.037 6.143 ( 0.573 0.035 -0.269) 0.634 6.169 ( -0.344 1.066 0.253) 1.148 6.278 ( 1.110 -2.971 -0.290) 3.185 6.307 ( 0.841 -2.532 0.193) 2.675 7.453 ( 0.693 3.835 -0.029) 3.897 7.479 ( 0.793 3.567 -0.008) 3.654 7.720 ( -0.168 -4.610 -0.108) 4.614 7.726 ( -0.242 -4.807 0.128) 4.815 ======================= Grid point 185 (98/108) ======================= q-point: ( 0.43 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 5.528 4.676 1.746) 7.448 1.078 ( 0.899 5.194 -0.041) 5.271 1.132 ( -2.731 1.729 0.244) 3.241 1.167 ( 0.163 4.352 -0.865) 4.441 1.214 ( -1.962 -0.436 1.219) 2.351 1.274 ( -2.368 0.483 -2.118) 3.213 1.356 ( -2.392 2.424 1.973) 3.936 1.379 ( 0.790 2.866 -1.580) 3.367 1.457 ( 2.208 2.325 0.203) 3.213 1.588 ( -5.506 4.942 -1.345) 7.520 1.675 ( -2.074 -3.683 2.173) 4.752 1.758 ( -2.278 -3.557 -3.438) 5.446 1.919 ( 1.817 -2.036 2.314) 3.577 2.002 ( 0.242 -4.316 -2.180) 4.842 2.109 ( -0.675 -5.010 2.892) 5.825 2.154 ( 1.609 -5.892 -1.903) 6.397 2.607 ( 1.118 1.753 0.027) 2.079 2.650 ( -2.240 0.888 -0.421) 2.446 2.748 ( -0.606 0.419 1.220) 1.425 2.783 ( -1.450 -0.714 -0.824) 1.814 3.517 ( 0.629 0.015 0.159) 0.649 3.519 ( 0.330 0.057 -0.107) 0.352 3.577 ( 0.248 -3.295 -0.141) 3.307 3.602 ( -1.744 -2.521 0.144) 3.069 4.576 ( 3.291 4.550 0.991) 5.702 4.664 ( -1.214 1.875 -0.360) 2.262 4.706 ( 0.736 0.634 1.753) 2.004 4.756 ( 0.752 0.491 -2.061) 2.248 5.043 ( -1.143 1.774 1.234) 2.444 5.076 ( -0.542 2.765 -1.420) 3.155 5.194 ( 0.210 -1.435 0.547) 1.550 5.218 ( -0.102 -1.153 -0.745) 1.377 5.337 ( 1.893 0.291 0.183) 1.924 5.399 ( -1.624 -1.320 -0.535) 2.160 5.432 ( 0.412 -2.363 -0.557) 2.463 5.447 ( -2.251 -2.549 0.851) 3.505 5.925 ( -0.052 3.214 0.878) 3.332 5.952 ( -0.057 2.209 -0.500) 2.265 5.969 ( 0.341 2.987 0.245) 3.016 5.994 ( -0.701 2.257 -0.118) 2.366 6.152 ( 0.327 0.499 0.050) 0.599 6.162 ( -0.272 0.595 -0.191) 0.682 6.297 ( 0.580 -2.350 0.500) 2.471 6.316 ( 0.295 -2.439 -0.457) 2.499 7.467 ( 0.598 3.616 0.367) 3.683 7.486 ( 0.094 3.442 -0.387) 3.465 7.719 ( 0.049 -4.418 0.002) 4.418 7.722 ( -0.246 -4.567 0.017) 4.573 ======================= Grid point 186 (99/108) ======================= q-point: (-0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -6.146 5.043 -1.033) 8.017 1.069 ( -3.207 5.384 0.697) 6.306 1.113 ( 3.039 2.172 2.805) 4.671 1.158 ( 1.835 3.011 -0.964) 3.656 1.218 ( 0.757 -1.484 1.304) 2.115 1.266 ( 2.896 1.046 -1.432) 3.396 1.347 ( -0.135 1.672 1.389) 2.178 1.407 ( 3.592 2.925 -3.137) 5.594 1.480 ( -3.568 3.315 -1.820) 5.199 1.550 ( 5.853 3.110 2.282) 7.010 1.695 ( 1.393 -3.095 2.982) 4.518 1.720 ( 1.229 -3.246 -2.362) 4.198 1.957 ( -0.622 -2.886 0.303) 2.968 1.977 ( 0.347 -2.558 -1.301) 2.891 2.109 ( -2.004 -5.178 2.478) 6.080 2.157 ( 0.536 -5.585 -1.896) 5.923 2.613 ( -0.989 1.908 -0.609) 2.234 2.645 ( 2.710 0.726 0.043) 2.806 2.748 ( -0.424 0.338 1.234) 1.348 2.784 ( 2.270 -0.864 -0.899) 2.590 3.509 ( -0.918 0.201 0.400) 1.021 3.532 ( 0.510 0.285 -0.840) 1.023 3.572 ( -0.825 -3.079 0.377) 3.210 3.602 ( 1.759 -2.999 0.107) 3.479 4.600 ( -4.038 4.384 -1.375) 6.118 4.647 ( 2.566 2.575 1.466) 3.920 4.717 ( -1.379 0.538 1.698) 2.252 4.744 ( -0.403 0.282 -1.904) 1.966 5.037 ( -0.400 2.150 1.345) 2.568 5.084 ( 2.709 2.506 -1.856) 4.131 5.172 ( -2.668 -1.179 1.878) 3.469 5.230 ( 1.328 -1.475 -1.136) 2.287 5.346 ( -2.134 -0.147 -0.661) 2.239 5.388 ( 2.205 -1.090 0.448) 2.500 5.419 ( -0.660 -2.380 0.806) 2.598 5.463 ( 2.351 -2.708 -0.735) 3.660 5.936 ( 0.354 2.925 0.987) 3.107 5.942 ( -0.110 3.061 -0.904) 3.194 5.979 ( -0.545 2.473 -0.508) 2.583 5.987 ( 0.968 2.253 0.505) 2.504 6.147 ( -0.774 0.723 0.394) 1.130 6.165 ( 0.538 0.364 -0.323) 0.726 6.297 ( -1.067 -2.390 0.444) 2.655 6.316 ( 0.244 -2.336 -0.466) 2.394 7.472 ( -0.725 3.552 0.068) 3.626 7.481 ( 0.050 3.510 -0.089) 3.511 7.719 ( -0.087 -4.543 -0.024) 4.544 7.722 ( 0.281 -4.442 0.034) 4.451 ======================= Grid point 187 (100/108) ======================= q-point: (-0.29 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -5.559 8.364 -0.548) 10.058 1.062 ( 1.516 8.925 1.264) 9.141 1.132 ( -1.517 2.683 0.991) 3.237 1.178 ( 1.444 4.172 -0.889) 4.503 1.277 ( 2.401 -1.227 -1.067) 2.900 1.313 ( 2.528 0.015 0.856) 2.668 1.371 ( 1.282 -0.469 1.952) 2.382 1.425 ( 0.069 -2.090 -0.956) 2.299 1.473 ( 5.126 5.685 -1.952) 7.900 1.678 ( 5.463 2.993 1.257) 6.355 1.751 ( 3.789 -2.244 -1.326) 4.599 1.769 ( 2.350 -3.407 3.695) 5.548 1.924 ( -0.215 -1.301 -2.480) 2.809 1.976 ( -1.128 -3.509 0.323) 3.700 2.081 ( -3.057 -3.191 2.100) 4.892 2.143 ( -0.308 -4.134 -1.737) 4.495 2.602 ( 0.277 3.393 -0.483) 3.438 2.689 ( 1.402 1.831 -0.075) 2.307 2.776 ( 2.976 -0.292 0.512) 3.034 2.833 ( 3.323 -1.561 -0.464) 3.700 3.502 ( -0.987 1.082 0.330) 1.501 3.512 ( -0.189 0.772 -0.508) 0.943 3.587 ( 1.072 -2.570 0.193) 2.791 3.630 ( 1.030 -2.785 -0.065) 2.970 4.518 ( -3.516 5.423 -0.297) 6.470 4.660 ( -1.689 0.521 -0.576) 1.859 4.706 ( -0.873 -0.982 -1.618) 2.084 4.718 ( -0.842 -0.705 2.105) 2.374 5.054 ( 1.038 2.123 0.681) 2.459 5.121 ( 1.407 0.917 -0.718) 1.826 5.152 ( -0.059 1.034 1.105) 1.514 5.232 ( -0.484 -1.227 -0.017) 1.319 5.312 ( -0.998 0.813 -0.274) 1.316 5.400 ( 0.234 -0.529 -0.132) 0.593 5.459 ( 2.625 -2.273 0.733) 3.549 5.499 ( 2.203 -2.734 -0.699) 3.580 5.937 ( 0.384 3.333 -0.681) 3.424 5.950 ( 0.198 2.407 0.428) 2.453 5.968 ( -0.123 2.790 -0.210) 2.801 6.007 ( 0.708 1.942 0.063) 2.068 6.139 ( -0.250 0.289 0.143) 0.408 6.170 ( -0.003 0.810 0.157) 0.825 6.274 ( -1.441 -2.840 0.079) 3.185 6.311 ( -0.475 -2.563 -0.234) 2.617 7.453 ( -1.044 3.831 -0.078) 3.971 7.478 ( -0.442 3.582 0.066) 3.610 7.719 ( 0.085 -4.731 0.035) 4.731 7.728 ( 0.321 -4.688 -0.038) 4.699 ======================= Grid point 188 (101/108) ======================= q-point: (-0.14 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -1.200 9.914 1.969) 10.179 1.054 ( -2.930 5.920 -2.741) 7.152 1.174 ( 4.846 6.818 2.117) 8.629 1.206 ( 2.740 6.732 -0.685) 7.300 1.278 ( -0.156 2.713 -0.966) 2.884 1.354 ( 1.070 -1.647 0.956) 2.184 1.405 ( -1.943 1.757 1.896) 3.234 1.415 ( 1.068 -5.777 -1.306) 6.019 1.589 ( 7.064 3.520 0.852) 7.938 1.758 ( 3.348 0.770 -1.865) 3.909 1.788 ( -0.647 -0.615 1.344) 1.613 1.819 ( 0.192 -2.182 1.182) 2.489 1.929 ( 2.219 -1.009 -1.497) 2.860 1.959 ( -0.078 -4.129 0.844) 4.215 2.044 ( -2.404 -0.610 1.842) 3.089 2.115 ( -1.135 -1.676 -1.766) 2.686 2.613 ( 1.013 4.465 0.191) 4.582 2.693 ( -0.397 3.498 -0.702) 3.590 2.847 ( 3.635 -1.933 0.170) 4.121 2.883 ( 2.229 -1.965 -0.423) 3.002 3.483 ( -0.457 2.402 0.332) 2.468 3.525 ( 0.757 1.979 -0.149) 2.124 3.597 ( 0.007 -2.206 0.193) 2.214 3.637 ( 0.050 -2.851 -0.593) 2.913 4.480 ( -1.149 5.072 1.628) 5.449 4.613 ( -2.131 0.631 -1.540) 2.704 4.676 ( -0.155 -2.372 -1.121) 2.628 4.716 ( -1.412 -3.650 0.927) 4.022 5.078 ( 0.755 2.112 0.694) 2.347 5.119 ( -0.376 1.260 0.097) 1.318 5.183 ( 1.567 1.151 0.043) 1.945 5.221 ( -0.530 -0.597 0.188) 0.820 5.306 ( 0.116 1.759 1.000) 2.027 5.399 ( 0.090 0.833 -1.366) 1.603 5.504 ( 1.403 -2.509 0.863) 3.001 5.529 ( 1.518 -2.677 -0.574) 3.131 5.943 ( 0.668 3.235 -0.540) 3.347 5.954 ( 0.273 2.349 0.293) 2.382 5.968 ( -0.107 2.742 0.138) 2.748 6.009 ( -0.245 1.781 -0.494) 1.864 6.142 ( 0.607 -0.077 -0.150) 0.630 6.165 ( -0.725 0.856 0.308) 1.163 6.255 ( -0.647 -3.114 0.440) 3.211 6.296 ( -0.781 -2.923 -0.501) 3.067 7.439 ( -0.499 4.055 0.308) 4.097 7.467 ( -0.638 3.781 -0.294) 3.845 7.722 ( 0.147 -4.989 0.148) 4.993 7.732 ( 0.150 -4.962 -0.158) 4.967 ======================= Grid point 189 (102/108) ======================= q-point: ( 0.00 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 1.986 9.336 1.489) 9.660 1.096 ( -2.407 7.341 -1.561) 7.882 1.234 ( -1.872 -6.058 0.171) 6.343 1.240 ( 1.096 -7.850 -0.336) 7.933 1.321 ( -0.912 2.917 1.573) 3.437 1.343 ( 1.518 0.597 -0.639) 1.752 1.436 ( 1.554 2.849 1.604) 3.620 1.445 ( -0.390 1.963 0.765) 2.142 1.720 ( 1.222 0.844 1.067) 1.828 1.741 ( -0.966 -0.922 -0.131) 1.342 1.767 ( -1.246 0.606 0.180) 1.397 1.798 ( 0.684 -1.963 -1.767) 2.728 1.904 ( -0.586 -0.650 0.316) 0.931 1.919 ( 1.323 -2.199 -1.320) 2.886 2.065 ( -0.454 1.359 1.419) 2.017 2.082 ( -0.239 -0.407 -0.297) 0.558 2.719 ( 0.763 3.261 -0.033) 3.349 2.732 ( -0.712 2.222 -1.355) 2.698 2.845 ( -0.399 -1.279 0.767) 1.544 2.858 ( 0.215 -2.224 -0.644) 2.326 3.540 ( 0.487 1.559 1.093) 1.965 3.559 ( 0.662 0.092 -0.496) 0.832 3.574 ( -0.697 0.209 0.227) 0.762 3.589 ( -0.450 -0.955 -0.980) 1.440 4.562 ( 0.724 2.555 1.288) 2.951 4.588 ( -0.680 1.295 -1.332) 1.978 4.614 ( 0.218 -3.089 0.380) 3.120 4.625 ( -0.128 -2.733 -0.734) 2.833 5.124 ( -1.036 1.646 2.030) 2.811 5.144 ( 0.175 -0.231 0.638) 0.700 5.203 ( -0.079 1.382 -0.118) 1.389 5.222 ( 0.809 -0.371 -1.545) 1.783 5.388 ( 0.352 3.551 1.408) 3.836 5.417 ( -0.309 2.330 -1.519) 2.799 5.466 ( -0.104 -3.175 0.929) 3.310 5.482 ( 0.224 -3.185 -0.704) 3.269 5.993 ( -0.271 1.434 0.425) 1.520 5.999 ( 0.185 0.848 0.299) 0.918 6.010 ( 0.195 1.759 -0.329) 1.800 6.020 ( -0.279 0.718 -0.885) 1.174 6.150 ( -0.549 0.096 0.006) 0.558 6.155 ( 0.654 -0.302 -0.435) 0.842 6.218 ( 0.437 -1.294 0.557) 1.475 6.224 ( -0.533 -1.952 -0.109) 2.026 7.527 ( 0.161 4.768 0.460) 4.793 7.536 ( -0.140 4.597 -0.486) 4.624 7.626 ( 0.060 -5.174 0.342) 5.185 7.632 ( -0.072 -5.068 -0.320) 5.078 ======================= Grid point 190 (103/108) ======================= q-point: ( 0.14 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -1.072 8.258 -0.724) 8.359 1.127 ( 2.389 6.283 1.581) 6.905 1.203 ( -1.889 -5.383 1.381) 5.869 1.257 ( 0.578 -4.336 0.197) 4.378 1.310 ( -0.816 2.505 0.534) 2.688 1.343 ( -1.084 1.760 -1.986) 2.866 1.397 ( -2.625 3.248 -1.001) 4.294 1.450 ( -1.157 -0.903 -0.773) 1.659 1.671 ( -4.378 2.795 -1.220) 5.336 1.712 ( -2.516 -1.069 0.998) 2.911 1.777 ( -0.191 -0.103 1.962) 1.974 1.807 ( 1.225 -3.116 -1.285) 3.586 1.876 ( -2.388 0.400 0.015) 2.422 1.910 ( -0.884 -3.175 -1.441) 3.597 2.061 ( -1.096 0.928 1.296) 1.934 2.079 ( -0.311 -0.983 0.079) 1.034 2.695 ( -1.861 3.086 -0.585) 3.650 2.724 ( -0.747 0.809 0.277) 1.135 2.818 ( -2.560 -0.072 0.533) 2.616 2.844 ( -1.589 -2.150 -0.136) 2.677 3.529 ( -1.405 1.561 -0.343) 2.128 3.546 ( -1.000 0.123 -0.922) 1.366 3.574 ( -0.436 -0.435 0.642) 0.890 3.587 ( 0.181 -1.135 0.637) 1.314 4.579 ( 1.073 2.703 -1.136) 3.123 4.604 ( 2.182 1.004 1.003) 2.603 4.626 ( 1.621 -1.237 0.125) 2.043 4.654 ( 2.954 -3.489 -0.262) 4.579 5.115 ( -1.526 2.093 1.495) 2.991 5.148 ( -0.668 -0.998 0.839) 1.465 5.196 ( -0.221 1.559 -0.640) 1.700 5.215 ( -0.088 -0.525 -1.347) 1.449 5.385 ( -1.216 2.782 -0.599) 3.095 5.405 ( -0.364 2.242 0.534) 2.333 5.455 ( -1.497 -2.816 0.246) 3.198 5.471 ( -0.871 -2.887 -0.497) 3.056 5.979 ( -0.968 1.526 0.336) 1.838 5.989 ( -0.963 0.567 -0.051) 1.119 6.017 ( 0.449 1.591 -0.259) 1.673 6.026 ( 0.523 0.712 0.211) 0.909 6.147 ( 0.447 1.175 -0.078) 1.259 6.178 ( 1.747 -0.503 0.014) 1.818 6.213 ( -0.345 -1.214 -0.272) 1.291 6.236 ( 0.833 -2.312 0.364) 2.485 7.530 ( 0.092 4.706 -0.182) 4.710 7.540 ( 0.635 4.407 0.143) 4.454 7.628 ( -0.034 -5.128 -0.089) 5.129 7.632 ( 0.222 -4.842 0.114) 4.848 ======================= Grid point 191 (104/108) ======================= q-point: ( 0.29 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.224 6.739 0.924) 6.806 1.142 ( -2.048 -1.633 1.754) 3.153 1.215 ( 1.236 1.343 0.829) 2.004 1.249 ( -1.514 2.468 -1.737) 3.376 1.272 ( -2.403 4.975 -0.703) 5.570 1.302 ( -0.485 -0.977 -1.689) 2.011 1.367 ( -0.542 -0.096 0.047) 0.552 1.411 ( -0.616 -3.528 -2.180) 4.193 1.579 ( -4.263 5.934 -0.661) 7.337 1.666 ( -3.176 -2.459 0.978) 4.134 1.756 ( -3.509 1.271 -1.451) 4.004 1.788 ( -1.844 -1.908 -2.029) 3.341 1.856 ( 0.131 0.074 1.933) 1.939 1.895 ( 0.817 -4.190 0.366) 4.285 2.045 ( -2.259 -0.748 1.927) 3.061 2.067 ( -0.797 -2.525 -0.328) 2.668 2.659 ( -1.643 2.632 -0.146) 3.106 2.696 ( -2.288 -0.900 0.126) 2.462 2.778 ( -2.098 0.934 0.424) 2.336 2.803 ( -2.462 -1.540 -0.198) 2.910 3.509 ( -0.659 0.505 0.251) 0.867 3.519 ( -0.803 -0.342 -0.518) 1.015 3.565 ( -1.042 0.095 0.190) 1.063 3.586 ( -0.800 -1.660 0.338) 1.874 4.606 ( 2.273 3.620 -0.041) 4.274 4.649 ( 2.175 -0.716 0.760) 2.413 4.677 ( 2.889 0.860 0.547) 3.064 4.711 ( 3.439 -2.596 -1.001) 4.424 5.097 ( -1.741 2.256 1.347) 3.152 5.131 ( -1.784 -0.715 0.884) 2.115 5.187 ( 0.095 0.856 -1.157) 1.443 5.202 ( 0.177 -0.916 -1.302) 1.602 5.359 ( -0.783 2.484 -0.484) 2.649 5.395 ( -1.233 0.407 0.586) 1.424 5.424 ( -1.732 -2.129 -0.233) 2.754 5.440 ( -1.974 -2.220 -0.455) 3.006 5.970 ( -0.576 1.352 0.598) 1.587 5.976 ( -0.404 0.597 0.215) 0.753 6.018 ( -0.070 1.541 -0.252) 1.563 6.030 ( -0.144 0.405 0.034) 0.431 6.162 ( 1.038 2.142 -0.150) 2.385 6.200 ( -0.287 1.922 -0.052) 1.944 6.219 ( 1.816 -2.876 0.050) 3.402 6.253 ( 0.744 -2.912 0.223) 3.014 7.534 ( 0.424 4.532 -0.013) 4.552 7.552 ( 0.514 4.022 -0.015) 4.054 7.627 ( 0.102 -4.890 -0.038) 4.891 7.637 ( 0.117 -4.475 0.064) 4.477 ======================= Grid point 192 (105/108) ======================= q-point: ( 0.43 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.774 3.119 2.805) 4.266 1.118 ( -2.112 -1.191 2.403) 3.414 1.190 ( -0.226 2.642 -3.530) 4.415 1.209 ( -1.345 0.010 -3.269) 3.535 1.257 ( -0.930 4.234 1.258) 4.513 1.281 ( 0.609 1.696 -1.379) 2.269 1.371 ( -0.704 -1.070 1.705) 2.133 1.398 ( 0.784 -2.454 -1.664) 3.067 1.537 ( 0.749 6.185 0.488) 6.250 1.633 ( -0.827 -2.789 0.926) 3.053 1.652 ( -4.803 3.501 -2.376) 6.401 1.717 ( -2.616 -2.010 -3.134) 4.550 1.901 ( 1.915 0.339 2.081) 2.849 1.929 ( 1.593 -2.521 0.203) 2.989 2.020 ( -1.939 -2.759 2.305) 4.085 2.049 ( -0.714 -4.558 -0.287) 4.623 2.640 ( -0.162 1.597 0.088) 1.608 2.659 ( -1.361 -0.171 -0.214) 1.389 2.749 ( -1.221 0.103 0.305) 1.263 2.762 ( -1.240 -1.171 -0.592) 1.806 3.506 ( 0.211 -0.067 0.332) 0.399 3.515 ( -0.025 -0.666 0.536) 0.855 3.547 ( -0.345 0.039 -0.301) 0.459 3.566 ( -1.251 -1.586 -0.237) 2.034 4.653 ( 2.033 3.219 1.161) 3.981 4.687 ( 0.673 -0.100 0.772) 1.029 4.721 ( 1.298 1.232 0.097) 1.792 4.749 ( 1.688 -1.209 -1.641) 2.646 5.079 ( -1.488 1.926 1.889) 3.081 5.107 ( -1.036 -0.277 0.186) 1.089 5.179 ( -0.310 0.532 -0.292) 0.681 5.199 ( 0.874 -0.927 -1.928) 2.311 5.352 ( 0.219 1.191 0.075) 1.213 5.376 ( -1.103 -1.044 0.084) 1.522 5.397 ( -0.626 -1.127 -0.639) 1.439 5.401 ( -1.350 -1.789 -0.047) 2.242 5.968 ( -0.179 1.247 0.618) 1.403 5.975 ( -0.057 0.425 0.259) 0.501 6.015 ( 0.063 1.496 -0.088) 1.500 6.025 ( -0.246 0.585 -0.280) 0.693 6.177 ( 0.754 2.091 -0.194) 2.231 6.189 ( -0.572 1.749 -0.233) 1.855 6.249 ( 0.931 -2.154 0.502) 2.400 6.264 ( 0.233 -2.775 -0.057) 2.786 7.543 ( 0.383 4.231 0.284) 4.258 7.556 ( 0.063 3.881 -0.300) 3.893 7.630 ( 0.135 -4.607 0.145) 4.611 7.637 ( -0.050 -4.280 -0.118) 4.282 ======================= Grid point 193 (106/108) ======================= q-point: (-0.43 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -1.776 2.244 2.362) 3.711 1.127 ( 1.444 -0.546 2.687) 3.099 1.153 ( -0.649 2.591 -1.894) 3.274 1.186 ( 2.145 -0.677 -2.660) 3.484 1.249 ( -1.051 4.561 1.507) 4.917 1.294 ( 1.851 1.602 -1.718) 2.991 1.361 ( -1.287 -0.161 1.688) 2.129 1.407 ( 0.677 -3.158 -1.600) 3.604 1.563 ( -0.950 5.320 -2.112) 5.802 1.603 ( 3.756 2.501 1.496) 4.754 1.667 ( 2.491 -1.184 1.938) 3.371 1.672 ( 1.338 -2.318 -2.165) 3.442 1.923 ( -0.812 0.143 -0.101) 0.831 1.942 ( 0.416 -0.917 -1.179) 1.550 2.023 ( -0.186 -2.907 2.202) 3.651 2.048 ( 1.059 -4.967 -0.267) 5.085 2.646 ( 0.441 1.383 -0.481) 1.529 2.658 ( 1.899 0.264 -0.110) 1.920 2.746 ( 0.515 -0.031 0.650) 0.830 2.760 ( 1.535 -1.356 -0.381) 2.083 3.510 ( -0.317 0.383 0.021) 0.498 3.523 ( 0.807 -0.670 -0.158) 1.060 3.544 ( -0.372 -0.272 -0.091) 0.469 3.560 ( 1.354 -1.642 0.313) 2.151 4.670 ( -2.322 2.646 -0.321) 3.535 4.687 ( -0.015 1.139 0.883) 1.442 4.724 ( -1.368 0.366 0.565) 1.525 4.739 ( -1.093 -0.830 -1.610) 2.116 5.079 ( -0.390 2.017 1.981) 2.854 5.106 ( 0.605 -0.566 0.403) 0.921 5.171 ( -0.235 1.210 -0.045) 1.234 5.199 ( 0.861 -1.620 -1.667) 2.479 5.354 ( -0.572 0.983 0.022) 1.137 5.374 ( 1.616 -0.575 -0.047) 1.716 5.385 ( 0.074 -0.655 0.565) 0.868 5.410 ( 1.783 -2.542 -0.764) 3.197 5.973 ( 0.178 0.960 0.468) 1.083 5.976 ( 0.081 0.693 -0.135) 0.711 6.018 ( -0.041 1.190 -0.403) 1.257 6.020 ( 0.460 0.933 0.112) 1.046 6.176 ( -0.731 2.069 -0.081) 2.196 6.187 ( 0.422 1.550 0.027) 1.606 6.251 ( -1.151 -1.992 0.317) 2.322 6.265 ( 0.014 -2.705 -0.178) 2.711 7.546 ( -0.499 4.113 0.107) 4.144 7.553 ( 0.090 4.018 -0.138) 4.021 7.631 ( -0.274 -4.495 0.100) 4.504 7.636 ( 0.166 -4.408 -0.075) 4.412 ======================= Grid point 194 (107/108) ======================= q-point: (-0.29 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -2.024 7.758 -0.540) 8.036 1.169 ( 1.145 -0.173 -0.164) 1.170 1.181 ( 2.613 1.456 2.469) 3.878 1.227 ( 2.098 -1.881 0.778) 2.923 1.253 ( 0.671 3.118 1.979) 3.753 1.299 ( 0.621 0.288 -2.299) 2.399 1.363 ( 0.195 -0.431 0.886) 1.004 1.387 ( -0.694 -2.306 -0.256) 2.422 1.583 ( 3.903 5.532 -0.998) 6.843 1.674 ( 3.099 -3.572 0.538) 4.759 1.731 ( 4.390 0.385 0.262) 4.415 1.741 ( 2.868 -0.185 2.376) 3.729 1.902 ( -0.045 -0.443 -1.978) 2.028 1.919 ( -0.624 -1.954 -2.138) 2.962 2.045 ( 0.247 -0.526 1.903) 1.990 2.069 ( 1.365 -2.972 -0.434) 3.300 2.664 ( 1.890 2.890 -0.643) 3.512 2.703 ( 2.986 -0.782 -0.524) 3.131 2.776 ( 1.871 0.711 0.656) 2.107 2.802 ( 2.825 -1.671 -0.106) 3.283 3.512 ( 0.585 0.317 0.095) 0.672 3.518 ( -0.070 0.008 -0.588) 0.592 3.565 ( 1.576 0.186 0.135) 1.592 3.588 ( 1.161 -1.808 0.161) 2.155 4.610 ( -3.205 4.104 -0.429) 5.225 4.666 ( -2.332 -0.754 -0.765) 2.567 4.689 ( -2.515 -0.934 0.953) 2.847 4.692 ( -2.664 -0.996 -0.810) 2.958 5.096 ( 0.424 2.151 1.497) 2.655 5.124 ( 0.098 -0.511 1.606) 1.688 5.178 ( 1.423 1.130 -0.624) 1.921 5.201 ( 0.694 -1.587 -1.078) 2.040 5.353 ( 0.397 3.126 0.168) 3.156 5.403 ( 1.537 0.955 -0.199) 1.820 5.413 ( 1.825 -2.690 0.634) 3.312 5.442 ( 2.110 -2.927 -0.520) 3.646 5.977 ( 0.329 1.031 -0.185) 1.098 5.980 ( 0.311 0.763 -0.036) 0.825 6.017 ( 0.176 1.800 -0.243) 1.825 6.031 ( 0.516 0.320 -0.030) 0.608 6.161 ( -0.741 2.133 -0.112) 2.261 6.195 ( 0.262 1.190 0.374) 1.275 6.221 ( -2.014 -1.930 -0.132) 2.792 6.256 ( -0.808 -3.028 -0.045) 3.134 7.534 ( -0.695 4.499 -0.029) 4.552 7.552 ( -0.226 4.092 -0.013) 4.098 7.626 ( -0.285 -4.817 0.080) 4.826 7.638 ( 0.043 -4.578 -0.057) 4.579 ======================= Grid point 195 (108/108) ======================= q-point: (-0.14 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.125 10.118 0.551) 10.134 1.155 ( -2.031 4.673 -1.339) 5.268 1.224 ( 0.996 -6.934 -0.514) 7.024 1.258 ( -0.076 -2.915 0.438) 2.949 1.303 ( 1.236 2.703 1.229) 3.216 1.307 ( 2.191 0.693 1.273) 2.627 1.378 ( 1.676 2.269 0.767) 2.924 1.416 ( 1.822 -1.044 2.266) 3.089 1.658 ( 4.149 3.588 0.118) 5.487 1.725 ( 2.074 -3.189 -0.151) 3.807 1.787 ( 0.263 -0.193 0.647) 0.725 1.794 ( 1.355 -0.417 0.507) 1.506 1.899 ( 1.778 -1.250 -1.992) 2.949 1.902 ( 0.552 -1.439 -1.212) 1.961 2.058 ( -0.244 1.303 1.381) 1.915 2.085 ( 0.462 -1.461 -0.195) 1.544 2.696 ( 1.932 3.892 -0.583) 4.384 2.740 ( 1.405 0.305 -1.179) 1.859 2.819 ( 2.091 -0.204 0.481) 2.156 2.846 ( 1.829 -2.062 -0.303) 2.773 3.520 ( 0.554 1.336 0.459) 1.517 3.534 ( 1.382 -0.384 0.267) 1.459 3.585 ( 0.479 0.333 -0.450) 0.737 3.599 ( 0.191 -1.165 -0.523) 1.292 4.562 ( -1.724 3.721 0.570) 4.141 4.618 ( -1.717 -0.723 -0.569) 1.948 4.635 ( -2.470 -1.410 -0.597) 2.906 4.652 ( -1.935 -2.465 -0.115) 3.136 5.116 ( 0.092 1.697 1.681) 2.390 5.136 ( -0.243 -0.055 1.459) 1.480 5.199 ( 0.780 0.628 -0.310) 1.049 5.211 ( 1.592 -0.412 -1.355) 2.130 5.367 ( 0.679 4.133 0.780) 4.260 5.423 ( 0.925 1.541 -0.957) 2.036 5.447 ( 1.151 -3.343 0.826) 3.631 5.472 ( 1.415 -2.987 -0.396) 3.329 5.986 ( 0.479 1.107 -0.172) 1.218 5.986 ( 0.637 0.980 0.151) 1.179 6.017 ( -0.067 1.959 -0.280) 1.980 6.033 ( -0.136 0.371 -0.479) 0.621 6.150 ( -0.175 1.175 -0.314) 1.228 6.179 ( -1.960 -0.338 -0.189) 1.998 6.205 ( 0.326 -0.792 0.497) 0.990 6.239 ( -0.940 -2.798 0.012) 2.952 7.525 ( -0.321 4.799 0.243) 4.816 7.545 ( -0.382 4.335 -0.269) 4.360 7.624 ( -0.119 -5.129 0.228) 5.136 7.636 ( -0.091 -4.856 -0.206) 4.861 =================== 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 3/18480 10.0 31.697 16.022 6.354 0.000 -0.541 0.000 3/18480 20.0 11.123 6.812 2.153 0.000 -0.064 0.000 3/18480 30.0 6.596 4.254 1.282 0.000 -0.008 0.000 3/18480 40.0 4.725 3.124 0.924 0.000 0.010 0.000 3/18480 50.0 3.694 2.488 0.729 0.000 0.017 0.000 3/18480 60.0 3.037 2.076 0.604 0.000 0.021 0.000 3/18480 70.0 2.580 1.787 0.516 0.000 0.022 0.000 3/18480 80.0 2.244 1.572 0.452 0.000 0.022 0.000 3/18480 90.0 1.986 1.406 0.402 0.000 0.022 0.000 3/18480 100.0 1.781 1.273 0.362 0.000 0.021 0.000 3/18480 110.0 1.615 1.164 0.329 0.000 0.020 0.000 3/18480 120.0 1.478 1.074 0.302 0.000 0.019 0.000 3/18480 130.0 1.362 0.996 0.279 0.000 0.018 0.000 3/18480 140.0 1.264 0.930 0.259 0.000 0.017 0.000 3/18480 150.0 1.178 0.872 0.242 0.000 0.016 0.000 3/18480 160.0 1.104 0.821 0.227 0.000 0.016 0.000 3/18480 170.0 1.039 0.776 0.214 0.000 0.015 0.000 3/18480 180.0 0.981 0.736 0.202 0.000 0.014 0.000 3/18480 190.0 0.929 0.700 0.192 0.000 0.014 0.000 3/18480 200.0 0.882 0.667 0.182 0.000 0.013 0.000 3/18480 210.0 0.840 0.637 0.174 0.000 0.013 0.000 3/18480 220.0 0.802 0.610 0.166 0.000 0.012 0.000 3/18480 230.0 0.767 0.585 0.159 0.000 0.012 0.000 3/18480 240.0 0.735 0.562 0.152 0.000 0.011 0.000 3/18480 250.0 0.705 0.541 0.146 0.000 0.011 0.000 3/18480 260.0 0.678 0.521 0.141 0.000 0.010 0.000 3/18480 270.0 0.653 0.503 0.135 0.000 0.010 0.000 3/18480 280.0 0.630 0.486 0.131 0.000 0.010 0.000 3/18480 290.0 0.608 0.470 0.126 0.000 0.010 0.000 3/18480 300.0 0.588 0.455 0.122 0.000 0.009 0.000 3/18480 310.0 0.569 0.441 0.118 0.000 0.009 0.000 3/18480 320.0 0.551 0.428 0.114 0.000 0.009 0.000 3/18480 330.0 0.534 0.415 0.111 0.000 0.008 0.000 3/18480 340.0 0.519 0.404 0.108 0.000 0.008 0.000 3/18480 350.0 0.504 0.393 0.105 0.000 0.008 0.000 3/18480 360.0 0.490 0.382 0.102 0.000 0.008 0.000 3/18480 370.0 0.477 0.372 0.099 0.000 0.008 0.000 3/18480 380.0 0.464 0.363 0.096 0.000 0.007 0.000 3/18480 390.0 0.452 0.354 0.094 0.000 0.007 0.000 3/18480 400.0 0.441 0.346 0.092 0.000 0.007 0.000 3/18480 410.0 0.430 0.338 0.089 0.000 0.007 0.000 3/18480 420.0 0.420 0.330 0.087 0.000 0.007 0.000 3/18480 430.0 0.410 0.322 0.085 0.000 0.007 0.000 3/18480 440.0 0.401 0.315 0.083 0.000 0.006 0.000 3/18480 450.0 0.392 0.309 0.082 0.000 0.006 0.000 3/18480 460.0 0.384 0.302 0.080 0.000 0.006 0.000 3/18480 470.0 0.375 0.296 0.078 0.000 0.006 0.000 3/18480 480.0 0.368 0.290 0.076 0.000 0.006 0.000 3/18480 490.0 0.360 0.284 0.075 0.000 0.006 0.000 3/18480 500.0 0.353 0.279 0.073 0.000 0.006 0.000 3/18480 510.0 0.346 0.274 0.072 0.000 0.006 0.000 3/18480 520.0 0.339 0.268 0.071 0.000 0.005 0.000 3/18480 530.0 0.333 0.264 0.069 0.000 0.005 0.000 3/18480 540.0 0.327 0.259 0.068 0.000 0.005 0.000 3/18480 550.0 0.321 0.254 0.067 0.000 0.005 0.000 3/18480 560.0 0.315 0.250 0.066 0.000 0.005 0.000 3/18480 570.0 0.310 0.246 0.064 0.000 0.005 0.000 3/18480 580.0 0.304 0.242 0.063 0.000 0.005 0.000 3/18480 590.0 0.299 0.238 0.062 0.000 0.005 0.000 3/18480 600.0 0.294 0.234 0.061 0.000 0.005 0.000 3/18480 610.0 0.289 0.230 0.060 0.000 0.005 0.000 3/18480 620.0 0.285 0.226 0.059 0.000 0.005 0.000 3/18480 630.0 0.280 0.223 0.058 0.000 0.005 0.000 3/18480 640.0 0.276 0.220 0.057 0.000 0.004 0.000 3/18480 650.0 0.272 0.216 0.057 0.000 0.004 0.000 3/18480 660.0 0.268 0.213 0.056 0.000 0.004 0.000 3/18480 670.0 0.264 0.210 0.055 0.000 0.004 0.000 3/18480 680.0 0.260 0.207 0.054 0.000 0.004 0.000 3/18480 690.0 0.256 0.204 0.053 0.000 0.004 0.000 3/18480 700.0 0.252 0.201 0.053 0.000 0.004 0.000 3/18480 710.0 0.249 0.198 0.052 0.000 0.004 0.000 3/18480 720.0 0.245 0.196 0.051 0.000 0.004 0.000 3/18480 730.0 0.242 0.193 0.050 0.000 0.004 0.000 3/18480 740.0 0.239 0.191 0.050 0.000 0.004 0.000 3/18480 750.0 0.236 0.188 0.049 0.000 0.004 0.000 3/18480 760.0 0.232 0.186 0.048 0.000 0.004 0.000 3/18480 770.0 0.229 0.183 0.048 0.000 0.004 0.000 3/18480 780.0 0.226 0.181 0.047 0.000 0.004 0.000 3/18480 790.0 0.224 0.179 0.047 0.000 0.004 0.000 3/18480 800.0 0.221 0.177 0.046 0.000 0.004 0.000 3/18480 810.0 0.218 0.174 0.045 0.000 0.004 0.000 3/18480 820.0 0.215 0.172 0.045 0.000 0.004 0.000 3/18480 830.0 0.213 0.170 0.044 0.000 0.003 0.000 3/18480 840.0 0.210 0.168 0.044 0.000 0.003 0.000 3/18480 850.0 0.208 0.166 0.043 0.000 0.003 0.000 3/18480 860.0 0.205 0.165 0.043 0.000 0.003 0.000 3/18480 870.0 0.203 0.163 0.042 0.000 0.003 0.000 3/18480 880.0 0.201 0.161 0.042 0.000 0.003 0.000 3/18480 890.0 0.199 0.159 0.041 0.000 0.003 0.000 3/18480 900.0 0.196 0.157 0.041 0.000 0.003 0.000 3/18480 910.0 0.194 0.156 0.040 0.000 0.003 0.000 3/18480 920.0 0.192 0.154 0.040 0.000 0.003 0.000 3/18480 930.0 0.190 0.152 0.040 0.000 0.003 0.000 3/18480 940.0 0.188 0.151 0.039 0.000 0.003 0.000 3/18480 950.0 0.186 0.149 0.039 0.000 0.003 0.000 3/18480 960.0 0.184 0.148 0.038 0.000 0.003 0.000 3/18480 970.0 0.182 0.146 0.038 0.000 0.003 0.000 3/18480 980.0 0.180 0.145 0.038 0.000 0.003 0.000 3/18480 990.0 0.179 0.143 0.037 0.000 0.003 0.000 3/18480 1000.0 0.177 0.142 0.037 0.000 0.003 0.000 3/18480 Thermal conductivity related properties were written into "kappa-m7115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:17:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|