----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:33:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.820584280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.820584280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.443020290000000 Atomic positions (fractional): *1 O 0.25064717495814 0.35824605027004 0.30631008453076 15.999 2 O 0.74935282504186 0.64175394972996 0.80631008453076 15.999 3 O 0.35824605027004 0.25064717495814 0.69368991546924 15.999 4 O 0.85824605027004 0.24935282504186 0.05631008453076 15.999 5 O 0.64175394972996 0.74935282504186 0.19368991546924 15.999 6 O 0.75064717495814 0.14175394972996 0.44368991546924 15.999 7 O 0.24935282504186 0.85824605027004 0.94368991546924 15.999 8 O 0.14175394972996 0.75064717495814 0.55631008453076 15.999 *9 Te 0.48227360517096 0.48227360517096 0.50000000000000 127.600 10 Te 0.01772639482904 0.98227360517096 0.75000000000000 127.600 11 Te 0.98227360517096 0.01772639482904 0.25000000000000 127.600 12 Te 0.51772639482904 0.51772639482904 0.00000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.820584280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.820584280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.443020290000000 Atomic positions (fractional): *1 O 0.25064717495814 0.35824605027004 0.30631008453076 15.999 > 1 2 O 0.74935282504186 0.64175394972996 0.80631008453076 15.999 > 2 3 O 0.35824605027004 0.25064717495814 0.69368991546924 15.999 > 3 4 O 0.85824605027004 0.24935282504186 0.05631008453076 15.999 > 4 5 O 0.64175394972996 0.74935282504186 0.19368991546924 15.999 > 5 6 O 0.75064717495814 0.14175394972996 0.44368991546924 15.999 > 6 7 O 0.24935282504186 0.85824605027004 0.94368991546924 15.999 > 7 8 O 0.14175394972996 0.75064717495814 0.55631008453076 15.999 > 8 *9 Te 0.48227360517096 0.48227360517096 0.50000000000000 127.600 > 9 10 Te 0.01772639482904 0.98227360517096 0.75000000000000 127.600 > 10 11 Te 0.98227360517096 0.01772639482904 0.25000000000000 127.600 > 11 12 Te 0.51772639482904 0.51772639482904 0.00000000000000 127.600 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.641168560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.641168560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.886040580000000 Atomic positions (fractional): *1 O 0.12532358747907 0.17912302513502 0.15315504226538 15.999 > 1 2 O 0.62532358747907 0.17912302513502 0.15315504226538 15.999 > 1 3 O 0.12532358747907 0.67912302513502 0.15315504226538 15.999 > 1 4 O 0.62532358747907 0.67912302513502 0.15315504226538 15.999 > 1 5 O 0.12532358747907 0.17912302513502 0.65315504226538 15.999 > 1 6 O 0.62532358747907 0.17912302513502 0.65315504226538 15.999 > 1 7 O 0.12532358747907 0.67912302513502 0.65315504226538 15.999 > 1 8 O 0.62532358747907 0.67912302513502 0.65315504226538 15.999 > 1 9 O 0.37467641252093 0.32087697486498 0.40315504226538 15.999 > 2 10 O 0.87467641252093 0.32087697486498 0.40315504226538 15.999 > 2 11 O 0.37467641252093 0.82087697486498 0.40315504226538 15.999 > 2 12 O 0.87467641252093 0.82087697486498 0.40315504226538 15.999 > 2 13 O 0.37467641252093 0.32087697486498 0.90315504226538 15.999 > 2 14 O 0.87467641252093 0.32087697486498 0.90315504226538 15.999 > 2 15 O 0.37467641252093 0.82087697486498 0.90315504226538 15.999 > 2 16 O 0.87467641252093 0.82087697486498 0.90315504226538 15.999 > 2 17 O 0.17912302513502 0.12532358747907 0.34684495773462 15.999 > 3 18 O 0.67912302513502 0.12532358747907 0.34684495773462 15.999 > 3 19 O 0.17912302513502 0.62532358747907 0.34684495773462 15.999 > 3 20 O 0.67912302513502 0.62532358747907 0.34684495773462 15.999 > 3 21 O 0.17912302513502 0.12532358747907 0.84684495773462 15.999 > 3 22 O 0.67912302513502 0.12532358747907 0.84684495773462 15.999 > 3 23 O 0.17912302513502 0.62532358747907 0.84684495773462 15.999 > 3 24 O 0.67912302513502 0.62532358747907 0.84684495773462 15.999 > 3 25 O 0.42912302513502 0.12467641252093 0.02815504226538 15.999 > 4 26 O 0.92912302513502 0.12467641252093 0.02815504226538 15.999 > 4 27 O 0.42912302513502 0.62467641252093 0.02815504226538 15.999 > 4 28 O 0.92912302513502 0.62467641252093 0.02815504226538 15.999 > 4 29 O 0.42912302513502 0.12467641252093 0.52815504226538 15.999 > 4 30 O 0.92912302513502 0.12467641252093 0.52815504226538 15.999 > 4 31 O 0.42912302513502 0.62467641252093 0.52815504226538 15.999 > 4 32 O 0.92912302513502 0.62467641252093 0.52815504226538 15.999 > 4 33 O 0.32087697486498 0.37467641252093 0.09684495773462 15.999 > 5 34 O 0.82087697486498 0.37467641252093 0.09684495773462 15.999 > 5 35 O 0.32087697486498 0.87467641252093 0.09684495773462 15.999 > 5 36 O 0.82087697486498 0.87467641252093 0.09684495773462 15.999 > 5 37 O 0.32087697486498 0.37467641252093 0.59684495773462 15.999 > 5 38 O 0.82087697486498 0.37467641252093 0.59684495773462 15.999 > 5 39 O 0.32087697486498 0.87467641252093 0.59684495773462 15.999 > 5 40 O 0.82087697486498 0.87467641252093 0.59684495773462 15.999 > 5 41 O 0.37532358747907 0.07087697486498 0.22184495773462 15.999 > 6 42 O 0.87532358747907 0.07087697486498 0.22184495773462 15.999 > 6 43 O 0.37532358747907 0.57087697486498 0.22184495773462 15.999 > 6 44 O 0.87532358747907 0.57087697486498 0.22184495773462 15.999 > 6 45 O 0.37532358747907 0.07087697486498 0.72184495773462 15.999 > 6 46 O 0.87532358747907 0.07087697486498 0.72184495773462 15.999 > 6 47 O 0.37532358747907 0.57087697486498 0.72184495773462 15.999 > 6 48 O 0.87532358747907 0.57087697486498 0.72184495773462 15.999 > 6 49 O 0.12467641252093 0.42912302513502 0.47184495773462 15.999 > 7 50 O 0.62467641252093 0.42912302513502 0.47184495773462 15.999 > 7 51 O 0.12467641252093 0.92912302513502 0.47184495773462 15.999 > 7 52 O 0.62467641252093 0.92912302513502 0.47184495773462 15.999 > 7 53 O 0.12467641252093 0.42912302513502 0.97184495773462 15.999 > 7 54 O 0.62467641252093 0.42912302513502 0.97184495773462 15.999 > 7 55 O 0.12467641252093 0.92912302513502 0.97184495773462 15.999 > 7 56 O 0.62467641252093 0.92912302513502 0.97184495773462 15.999 > 7 57 O 0.07087697486498 0.37532358747907 0.27815504226538 15.999 > 8 58 O 0.57087697486498 0.37532358747907 0.27815504226538 15.999 > 8 59 O 0.07087697486498 0.87532358747907 0.27815504226538 15.999 > 8 60 O 0.57087697486498 0.87532358747907 0.27815504226538 15.999 > 8 61 O 0.07087697486498 0.37532358747907 0.77815504226538 15.999 > 8 62 O 0.57087697486498 0.37532358747907 0.77815504226538 15.999 > 8 63 O 0.07087697486498 0.87532358747907 0.77815504226538 15.999 > 8 64 O 0.57087697486498 0.87532358747907 0.77815504226538 15.999 > 8 *65 Te 0.24113680258548 0.24113680258548 0.25000000000000 127.600 > 9 66 Te 0.74113680258548 0.24113680258548 0.25000000000000 127.600 > 9 67 Te 0.24113680258548 0.74113680258548 0.25000000000000 127.600 > 9 68 Te 0.74113680258548 0.74113680258548 0.25000000000000 127.600 > 9 69 Te 0.24113680258548 0.24113680258548 0.75000000000000 127.600 > 9 70 Te 0.74113680258548 0.24113680258548 0.75000000000000 127.600 > 9 71 Te 0.24113680258548 0.74113680258548 0.75000000000000 127.600 > 9 72 Te 0.74113680258548 0.74113680258548 0.75000000000000 127.600 > 9 73 Te 0.00886319741452 0.49113680258548 0.37500000000000 127.600 > 10 74 Te 0.50886319741452 0.49113680258548 0.37500000000000 127.600 > 10 75 Te 0.00886319741452 0.99113680258548 0.37500000000000 127.600 > 10 76 Te 0.50886319741452 0.99113680258548 0.37500000000000 127.600 > 10 77 Te 0.00886319741452 0.49113680258548 0.87500000000000 127.600 > 10 78 Te 0.50886319741452 0.49113680258548 0.87500000000000 127.600 > 10 79 Te 0.00886319741452 0.99113680258548 0.87500000000000 127.600 > 10 80 Te 0.50886319741452 0.99113680258548 0.87500000000000 127.600 > 10 81 Te 0.49113680258548 0.00886319741452 0.12500000000000 127.600 > 11 82 Te 0.99113680258548 0.00886319741452 0.12500000000000 127.600 > 11 83 Te 0.49113680258548 0.50886319741452 0.12500000000000 127.600 > 11 84 Te 0.99113680258548 0.50886319741452 0.12500000000000 127.600 > 11 85 Te 0.49113680258548 0.00886319741452 0.62500000000000 127.600 > 11 86 Te 0.99113680258548 0.00886319741452 0.62500000000000 127.600 > 11 87 Te 0.49113680258548 0.50886319741452 0.62500000000000 127.600 > 11 88 Te 0.99113680258548 0.50886319741452 0.62500000000000 127.600 > 11 89 Te 0.25886319741452 0.25886319741452 0.00000000000000 127.600 > 12 90 Te 0.75886319741452 0.25886319741452 0.00000000000000 127.600 > 12 91 Te 0.25886319741452 0.75886319741452 0.00000000000000 127.600 > 12 92 Te 0.75886319741452 0.75886319741452 0.00000000000000 127.600 > 12 93 Te 0.25886319741452 0.25886319741452 0.50000000000000 127.600 > 12 94 Te 0.75886319741452 0.25886319741452 0.50000000000000 127.600 > 12 95 Te 0.25886319741452 0.75886319741452 0.50000000000000 127.600 > 12 96 Te 0.75886319741452 0.75886319741452 0.50000000000000 127.600 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8893445 0.0000000 0.0000000 0.0000000 5.8893445 0.0000000 0.0000000 0.0000000 6.7695214 -------------------------- Born effective charges -------------------------- 1 O -2.7012492 -1.7022342 -0.7514353 -1.0240320 -2.2969194 -0.3895844 -1.0776269 -1.1484417 -2.8509727 2 O -2.7012492 -1.7022342 0.7514353 -1.0240320 -2.2969194 0.3895844 1.0776269 1.1484417 -2.8509727 3 O -2.2969194 -1.0240320 0.3895844 -1.7022342 -2.7012492 0.7514353 1.1484417 1.0776269 -2.8509727 4 O -2.2969194 1.0240320 -0.3895844 1.7022342 -2.7012492 0.7514353 -1.1484417 1.0776269 -2.8509727 5 O -2.2969194 -1.0240320 -0.3895844 -1.7022342 -2.7012492 -0.7514353 -1.1484417 -1.0776269 -2.8509727 6 O -2.7012492 1.7022342 0.7514353 1.0240320 -2.2969194 -0.3895844 1.0776269 -1.1484417 -2.8509727 7 O -2.7012492 1.7022342 -0.7514353 1.0240320 -2.2969194 0.3895844 -1.0776269 1.1484417 -2.8509727 8 O -2.2969194 1.0240320 0.3895844 1.7022342 -2.7012492 -0.7514353 1.1484417 -1.0776269 -2.8509727 9 Te 4.9981686 -1.6526286 -0.1786487 -1.6526286 4.9981686 0.1786487 -0.7344437 0.7344437 5.7019454 10 Te 4.9981686 1.6526286 -0.1786487 1.6526286 4.9981686 -0.1786487 -0.7344437 -0.7344437 5.7019454 11 Te 4.9981686 1.6526286 0.1786487 1.6526286 4.9981686 0.1786487 0.7344437 0.7344437 5.7019454 12 Te 4.9981686 -1.6526286 0.1786487 -1.6526286 4.9981686 -0.1786487 0.7344437 -0.7344437 5.7019454 ---------------------------------------------------------------------------- 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: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 685 Number of blocks in projector: 685 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 85 Use standard eigh solver. Tree of FC basis block matrices: - (685, 671), data: False |-- (85, 83), data: True |-- (156, 153), data: True |-- (156, 153), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 240 - Time: 0.591 Solver_block: 200 / 240 - Time: 0.597 Solver_block: 240 / 240 - Time: 0.304 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.589 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 685 Number of blocks in projector: 685 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 85 Use standard eigh solver. Tree of FC basis block matrices: - (685, 671), data: False |-- (85, 83), data: True |-- (156, 153), data: True |-- (156, 153), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:33:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:33:33]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.820584280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.820584280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.443020290000000 Atomic positions (fractional): 1 O 0.25064717495814 0.35824605027004 0.30631008453076 15.999 2 O 0.74935282504186 0.64175394972996 0.80631008453076 15.999 3 O 0.35824605027004 0.25064717495814 0.69368991546924 15.999 4 O 0.85824605027004 0.24935282504186 0.05631008453076 15.999 5 O 0.64175394972996 0.74935282504186 0.19368991546924 15.999 6 O 0.75064717495814 0.14175394972996 0.44368991546924 15.999 7 O 0.24935282504186 0.85824605027004 0.94368991546924 15.999 8 O 0.14175394972996 0.75064717495814 0.55631008453076 15.999 9 Te 0.48227360517096 0.48227360517096 0.50000000000000 127.600 10 Te 0.01772639482904 0.98227360517096 0.75000000000000 127.600 11 Te 0.98227360517096 0.01772639482904 0.25000000000000 127.600 12 Te 0.51772639482904 0.51772639482904 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.641168560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.641168560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.886040580000000 Atomic positions (fractional): 1 O 0.12532358747907 0.17912302513502 0.15315504226538 15.999 > 1 2 O 0.62532358747907 0.17912302513502 0.15315504226538 15.999 > 1 3 O 0.12532358747907 0.67912302513502 0.15315504226538 15.999 > 1 4 O 0.62532358747907 0.67912302513502 0.15315504226538 15.999 > 1 5 O 0.12532358747907 0.17912302513502 0.65315504226538 15.999 > 1 6 O 0.62532358747907 0.17912302513502 0.65315504226538 15.999 > 1 7 O 0.12532358747907 0.67912302513502 0.65315504226538 15.999 > 1 8 O 0.62532358747907 0.67912302513502 0.65315504226538 15.999 > 1 9 O 0.37467641252093 0.32087697486498 0.40315504226538 15.999 > 9 10 O 0.87467641252093 0.32087697486498 0.40315504226538 15.999 > 9 11 O 0.37467641252093 0.82087697486498 0.40315504226538 15.999 > 9 12 O 0.87467641252093 0.82087697486498 0.40315504226538 15.999 > 9 13 O 0.37467641252093 0.32087697486498 0.90315504226538 15.999 > 9 14 O 0.87467641252093 0.32087697486498 0.90315504226538 15.999 > 9 15 O 0.37467641252093 0.82087697486498 0.90315504226538 15.999 > 9 16 O 0.87467641252093 0.82087697486498 0.90315504226538 15.999 > 9 17 O 0.17912302513502 0.12532358747907 0.34684495773462 15.999 > 17 18 O 0.67912302513502 0.12532358747907 0.34684495773462 15.999 > 17 19 O 0.17912302513502 0.62532358747907 0.34684495773462 15.999 > 17 20 O 0.67912302513502 0.62532358747907 0.34684495773462 15.999 > 17 21 O 0.17912302513502 0.12532358747907 0.84684495773462 15.999 > 17 22 O 0.67912302513502 0.12532358747907 0.84684495773462 15.999 > 17 23 O 0.17912302513502 0.62532358747907 0.84684495773462 15.999 > 17 24 O 0.67912302513502 0.62532358747907 0.84684495773462 15.999 > 17 25 O 0.42912302513502 0.12467641252093 0.02815504226538 15.999 > 25 26 O 0.92912302513502 0.12467641252093 0.02815504226538 15.999 > 25 27 O 0.42912302513502 0.62467641252093 0.02815504226538 15.999 > 25 28 O 0.92912302513502 0.62467641252093 0.02815504226538 15.999 > 25 29 O 0.42912302513502 0.12467641252093 0.52815504226538 15.999 > 25 30 O 0.92912302513502 0.12467641252093 0.52815504226538 15.999 > 25 31 O 0.42912302513502 0.62467641252093 0.52815504226538 15.999 > 25 32 O 0.92912302513502 0.62467641252093 0.52815504226538 15.999 > 25 33 O 0.32087697486498 0.37467641252093 0.09684495773462 15.999 > 33 34 O 0.82087697486498 0.37467641252093 0.09684495773462 15.999 > 33 35 O 0.32087697486498 0.87467641252093 0.09684495773462 15.999 > 33 36 O 0.82087697486498 0.87467641252093 0.09684495773462 15.999 > 33 37 O 0.32087697486498 0.37467641252093 0.59684495773462 15.999 > 33 38 O 0.82087697486498 0.37467641252093 0.59684495773462 15.999 > 33 39 O 0.32087697486498 0.87467641252093 0.59684495773462 15.999 > 33 40 O 0.82087697486498 0.87467641252093 0.59684495773462 15.999 > 33 41 O 0.37532358747907 0.07087697486498 0.22184495773462 15.999 > 41 42 O 0.87532358747907 0.07087697486498 0.22184495773462 15.999 > 41 43 O 0.37532358747907 0.57087697486498 0.22184495773462 15.999 > 41 44 O 0.87532358747907 0.57087697486498 0.22184495773462 15.999 > 41 45 O 0.37532358747907 0.07087697486498 0.72184495773462 15.999 > 41 46 O 0.87532358747907 0.07087697486498 0.72184495773462 15.999 > 41 47 O 0.37532358747907 0.57087697486498 0.72184495773462 15.999 > 41 48 O 0.87532358747907 0.57087697486498 0.72184495773462 15.999 > 41 49 O 0.12467641252093 0.42912302513502 0.47184495773462 15.999 > 49 50 O 0.62467641252093 0.42912302513502 0.47184495773462 15.999 > 49 51 O 0.12467641252093 0.92912302513502 0.47184495773462 15.999 > 49 52 O 0.62467641252093 0.92912302513502 0.47184495773462 15.999 > 49 53 O 0.12467641252093 0.42912302513502 0.97184495773462 15.999 > 49 54 O 0.62467641252093 0.42912302513502 0.97184495773462 15.999 > 49 55 O 0.12467641252093 0.92912302513502 0.97184495773462 15.999 > 49 56 O 0.62467641252093 0.92912302513502 0.97184495773462 15.999 > 49 57 O 0.07087697486498 0.37532358747907 0.27815504226538 15.999 > 57 58 O 0.57087697486498 0.37532358747907 0.27815504226538 15.999 > 57 59 O 0.07087697486498 0.87532358747907 0.27815504226538 15.999 > 57 60 O 0.57087697486498 0.87532358747907 0.27815504226538 15.999 > 57 61 O 0.07087697486498 0.37532358747907 0.77815504226538 15.999 > 57 62 O 0.57087697486498 0.37532358747907 0.77815504226538 15.999 > 57 63 O 0.07087697486498 0.87532358747907 0.77815504226538 15.999 > 57 64 O 0.57087697486498 0.87532358747907 0.77815504226538 15.999 > 57 65 Te 0.24113680258548 0.24113680258548 0.25000000000000 127.600 > 65 66 Te 0.74113680258548 0.24113680258548 0.25000000000000 127.600 > 65 67 Te 0.24113680258548 0.74113680258548 0.25000000000000 127.600 > 65 68 Te 0.74113680258548 0.74113680258548 0.25000000000000 127.600 > 65 69 Te 0.24113680258548 0.24113680258548 0.75000000000000 127.600 > 65 70 Te 0.74113680258548 0.24113680258548 0.75000000000000 127.600 > 65 71 Te 0.24113680258548 0.74113680258548 0.75000000000000 127.600 > 65 72 Te 0.74113680258548 0.74113680258548 0.75000000000000 127.600 > 65 73 Te 0.00886319741452 0.49113680258548 0.37500000000000 127.600 > 73 74 Te 0.50886319741452 0.49113680258548 0.37500000000000 127.600 > 73 75 Te 0.00886319741452 0.99113680258548 0.37500000000000 127.600 > 73 76 Te 0.50886319741452 0.99113680258548 0.37500000000000 127.600 > 73 77 Te 0.00886319741452 0.49113680258548 0.87500000000000 127.600 > 73 78 Te 0.50886319741452 0.49113680258548 0.87500000000000 127.600 > 73 79 Te 0.00886319741452 0.99113680258548 0.87500000000000 127.600 > 73 80 Te 0.50886319741452 0.99113680258548 0.87500000000000 127.600 > 73 81 Te 0.49113680258548 0.00886319741452 0.12500000000000 127.600 > 81 82 Te 0.99113680258548 0.00886319741452 0.12500000000000 127.600 > 81 83 Te 0.49113680258548 0.50886319741452 0.12500000000000 127.600 > 81 84 Te 0.99113680258548 0.50886319741452 0.12500000000000 127.600 > 81 85 Te 0.49113680258548 0.00886319741452 0.62500000000000 127.600 > 81 86 Te 0.99113680258548 0.00886319741452 0.62500000000000 127.600 > 81 87 Te 0.49113680258548 0.50886319741452 0.62500000000000 127.600 > 81 88 Te 0.99113680258548 0.50886319741452 0.62500000000000 127.600 > 81 89 Te 0.25886319741452 0.25886319741452 0.00000000000000 127.600 > 89 90 Te 0.75886319741452 0.25886319741452 0.00000000000000 127.600 > 89 91 Te 0.25886319741452 0.75886319741452 0.00000000000000 127.600 > 89 92 Te 0.75886319741452 0.75886319741452 0.00000000000000 127.600 > 89 93 Te 0.25886319741452 0.25886319741452 0.50000000000000 127.600 > 89 94 Te 0.75886319741452 0.25886319741452 0.50000000000000 127.600 > 89 95 Te 0.25886319741452 0.75886319741452 0.50000000000000 127.600 > 89 96 Te 0.75886319741452 0.75886319741452 0.50000000000000 127.600 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8893445 0.0000000 0.0000000 0.0000000 5.8893445 0.0000000 0.0000000 0.0000000 6.7695214 -------------------------- Born effective charges -------------------------- 1 O -2.7012492 -1.7022342 -0.7514353 -1.0240320 -2.2969194 -0.3895844 -1.0776269 -1.1484417 -2.8509727 2 O -2.7012492 -1.7022342 0.7514353 -1.0240320 -2.2969194 0.3895844 1.0776269 1.1484417 -2.8509727 3 O -2.2969194 -1.0240320 0.3895844 -1.7022342 -2.7012492 0.7514353 1.1484417 1.0776269 -2.8509727 4 O -2.2969194 1.0240320 -0.3895844 1.7022342 -2.7012492 0.7514353 -1.1484417 1.0776269 -2.8509727 5 O -2.2969194 -1.0240320 -0.3895844 -1.7022342 -2.7012492 -0.7514353 -1.1484417 -1.0776269 -2.8509727 6 O -2.7012492 1.7022342 0.7514353 1.0240320 -2.2969194 -0.3895844 1.0776269 -1.1484417 -2.8509727 7 O -2.7012492 1.7022342 -0.7514353 1.0240320 -2.2969194 0.3895844 -1.0776269 1.1484417 -2.8509727 8 O -2.2969194 1.0240320 0.3895844 1.7022342 -2.7012492 -0.7514353 1.1484417 -1.0776269 -2.8509727 9 Te 4.9981686 -1.6526286 -0.1786487 -1.6526286 4.9981686 0.1786487 -0.7344437 0.7344437 5.7019454 10 Te 4.9981686 1.6526286 -0.1786487 1.6526286 4.9981686 -0.1786487 -0.7344437 -0.7344437 5.7019454 11 Te 4.9981686 1.6526286 0.1786487 1.6526286 4.9981686 0.1786487 0.7344437 0.7344437 5.7019454 12 Te 4.9981686 -1.6526286 0.1786487 -1.6526286 4.9981686 -0.1786487 0.7344437 -0.7344437 5.7019454 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000020 (xxx) -0.00000020 (xxx) -0.00000020 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000017 (xz) -0.00000017 (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 2026-01-07 18:33:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:33:41]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.820584280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.820584280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.443020290000000 Atomic positions (fractional): 1 O 0.25064717495814 0.35824605027004 0.30631008453076 15.999 2 O 0.74935282504186 0.64175394972996 0.80631008453076 15.999 3 O 0.35824605027004 0.25064717495814 0.69368991546924 15.999 4 O 0.85824605027004 0.24935282504186 0.05631008453076 15.999 5 O 0.64175394972996 0.74935282504186 0.19368991546924 15.999 6 O 0.75064717495814 0.14175394972996 0.44368991546924 15.999 7 O 0.24935282504186 0.85824605027004 0.94368991546924 15.999 8 O 0.14175394972996 0.75064717495814 0.55631008453076 15.999 9 Te 0.48227360517096 0.48227360517096 0.50000000000000 127.600 10 Te 0.01772639482904 0.98227360517096 0.75000000000000 127.600 11 Te 0.98227360517096 0.01772639482904 0.25000000000000 127.600 12 Te 0.51772639482904 0.51772639482904 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.641168560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.641168560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.886040580000000 Atomic positions (fractional): 1 O 0.12532358747907 0.17912302513502 0.15315504226538 15.999 > 1 2 O 0.62532358747907 0.17912302513502 0.15315504226538 15.999 > 1 3 O 0.12532358747907 0.67912302513502 0.15315504226538 15.999 > 1 4 O 0.62532358747907 0.67912302513502 0.15315504226538 15.999 > 1 5 O 0.12532358747907 0.17912302513502 0.65315504226538 15.999 > 1 6 O 0.62532358747907 0.17912302513502 0.65315504226538 15.999 > 1 7 O 0.12532358747907 0.67912302513502 0.65315504226538 15.999 > 1 8 O 0.62532358747907 0.67912302513502 0.65315504226538 15.999 > 1 9 O 0.37467641252093 0.32087697486498 0.40315504226538 15.999 > 9 10 O 0.87467641252093 0.32087697486498 0.40315504226538 15.999 > 9 11 O 0.37467641252093 0.82087697486498 0.40315504226538 15.999 > 9 12 O 0.87467641252093 0.82087697486498 0.40315504226538 15.999 > 9 13 O 0.37467641252093 0.32087697486498 0.90315504226538 15.999 > 9 14 O 0.87467641252093 0.32087697486498 0.90315504226538 15.999 > 9 15 O 0.37467641252093 0.82087697486498 0.90315504226538 15.999 > 9 16 O 0.87467641252093 0.82087697486498 0.90315504226538 15.999 > 9 17 O 0.17912302513502 0.12532358747907 0.34684495773462 15.999 > 17 18 O 0.67912302513502 0.12532358747907 0.34684495773462 15.999 > 17 19 O 0.17912302513502 0.62532358747907 0.34684495773462 15.999 > 17 20 O 0.67912302513502 0.62532358747907 0.34684495773462 15.999 > 17 21 O 0.17912302513502 0.12532358747907 0.84684495773462 15.999 > 17 22 O 0.67912302513502 0.12532358747907 0.84684495773462 15.999 > 17 23 O 0.17912302513502 0.62532358747907 0.84684495773462 15.999 > 17 24 O 0.67912302513502 0.62532358747907 0.84684495773462 15.999 > 17 25 O 0.42912302513502 0.12467641252093 0.02815504226538 15.999 > 25 26 O 0.92912302513502 0.12467641252093 0.02815504226538 15.999 > 25 27 O 0.42912302513502 0.62467641252093 0.02815504226538 15.999 > 25 28 O 0.92912302513502 0.62467641252093 0.02815504226538 15.999 > 25 29 O 0.42912302513502 0.12467641252093 0.52815504226538 15.999 > 25 30 O 0.92912302513502 0.12467641252093 0.52815504226538 15.999 > 25 31 O 0.42912302513502 0.62467641252093 0.52815504226538 15.999 > 25 32 O 0.92912302513502 0.62467641252093 0.52815504226538 15.999 > 25 33 O 0.32087697486498 0.37467641252093 0.09684495773462 15.999 > 33 34 O 0.82087697486498 0.37467641252093 0.09684495773462 15.999 > 33 35 O 0.32087697486498 0.87467641252093 0.09684495773462 15.999 > 33 36 O 0.82087697486498 0.87467641252093 0.09684495773462 15.999 > 33 37 O 0.32087697486498 0.37467641252093 0.59684495773462 15.999 > 33 38 O 0.82087697486498 0.37467641252093 0.59684495773462 15.999 > 33 39 O 0.32087697486498 0.87467641252093 0.59684495773462 15.999 > 33 40 O 0.82087697486498 0.87467641252093 0.59684495773462 15.999 > 33 41 O 0.37532358747907 0.07087697486498 0.22184495773462 15.999 > 41 42 O 0.87532358747907 0.07087697486498 0.22184495773462 15.999 > 41 43 O 0.37532358747907 0.57087697486498 0.22184495773462 15.999 > 41 44 O 0.87532358747907 0.57087697486498 0.22184495773462 15.999 > 41 45 O 0.37532358747907 0.07087697486498 0.72184495773462 15.999 > 41 46 O 0.87532358747907 0.07087697486498 0.72184495773462 15.999 > 41 47 O 0.37532358747907 0.57087697486498 0.72184495773462 15.999 > 41 48 O 0.87532358747907 0.57087697486498 0.72184495773462 15.999 > 41 49 O 0.12467641252093 0.42912302513502 0.47184495773462 15.999 > 49 50 O 0.62467641252093 0.42912302513502 0.47184495773462 15.999 > 49 51 O 0.12467641252093 0.92912302513502 0.47184495773462 15.999 > 49 52 O 0.62467641252093 0.92912302513502 0.47184495773462 15.999 > 49 53 O 0.12467641252093 0.42912302513502 0.97184495773462 15.999 > 49 54 O 0.62467641252093 0.42912302513502 0.97184495773462 15.999 > 49 55 O 0.12467641252093 0.92912302513502 0.97184495773462 15.999 > 49 56 O 0.62467641252093 0.92912302513502 0.97184495773462 15.999 > 49 57 O 0.07087697486498 0.37532358747907 0.27815504226538 15.999 > 57 58 O 0.57087697486498 0.37532358747907 0.27815504226538 15.999 > 57 59 O 0.07087697486498 0.87532358747907 0.27815504226538 15.999 > 57 60 O 0.57087697486498 0.87532358747907 0.27815504226538 15.999 > 57 61 O 0.07087697486498 0.37532358747907 0.77815504226538 15.999 > 57 62 O 0.57087697486498 0.37532358747907 0.77815504226538 15.999 > 57 63 O 0.07087697486498 0.87532358747907 0.77815504226538 15.999 > 57 64 O 0.57087697486498 0.87532358747907 0.77815504226538 15.999 > 57 65 Te 0.24113680258548 0.24113680258548 0.25000000000000 127.600 > 65 66 Te 0.74113680258548 0.24113680258548 0.25000000000000 127.600 > 65 67 Te 0.24113680258548 0.74113680258548 0.25000000000000 127.600 > 65 68 Te 0.74113680258548 0.74113680258548 0.25000000000000 127.600 > 65 69 Te 0.24113680258548 0.24113680258548 0.75000000000000 127.600 > 65 70 Te 0.74113680258548 0.24113680258548 0.75000000000000 127.600 > 65 71 Te 0.24113680258548 0.74113680258548 0.75000000000000 127.600 > 65 72 Te 0.74113680258548 0.74113680258548 0.75000000000000 127.600 > 65 73 Te 0.00886319741452 0.49113680258548 0.37500000000000 127.600 > 73 74 Te 0.50886319741452 0.49113680258548 0.37500000000000 127.600 > 73 75 Te 0.00886319741452 0.99113680258548 0.37500000000000 127.600 > 73 76 Te 0.50886319741452 0.99113680258548 0.37500000000000 127.600 > 73 77 Te 0.00886319741452 0.49113680258548 0.87500000000000 127.600 > 73 78 Te 0.50886319741452 0.49113680258548 0.87500000000000 127.600 > 73 79 Te 0.00886319741452 0.99113680258548 0.87500000000000 127.600 > 73 80 Te 0.50886319741452 0.99113680258548 0.87500000000000 127.600 > 73 81 Te 0.49113680258548 0.00886319741452 0.12500000000000 127.600 > 81 82 Te 0.99113680258548 0.00886319741452 0.12500000000000 127.600 > 81 83 Te 0.49113680258548 0.50886319741452 0.12500000000000 127.600 > 81 84 Te 0.99113680258548 0.50886319741452 0.12500000000000 127.600 > 81 85 Te 0.49113680258548 0.00886319741452 0.62500000000000 127.600 > 81 86 Te 0.99113680258548 0.00886319741452 0.62500000000000 127.600 > 81 87 Te 0.49113680258548 0.50886319741452 0.62500000000000 127.600 > 81 88 Te 0.99113680258548 0.50886319741452 0.62500000000000 127.600 > 81 89 Te 0.25886319741452 0.25886319741452 0.00000000000000 127.600 > 89 90 Te 0.75886319741452 0.25886319741452 0.00000000000000 127.600 > 89 91 Te 0.25886319741452 0.75886319741452 0.00000000000000 127.600 > 89 92 Te 0.75886319741452 0.75886319741452 0.00000000000000 127.600 > 89 93 Te 0.25886319741452 0.25886319741452 0.50000000000000 127.600 > 89 94 Te 0.75886319741452 0.25886319741452 0.50000000000000 127.600 > 89 95 Te 0.25886319741452 0.75886319741452 0.50000000000000 127.600 > 89 96 Te 0.75886319741452 0.75886319741452 0.50000000000000 127.600 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.8893445 0.0000000 0.0000000 0.0000000 5.8893445 0.0000000 0.0000000 0.0000000 6.7695214 -------------------------- Born effective charges -------------------------- 1 O -2.7012492 -1.7022342 -0.7514353 -1.0240320 -2.2969194 -0.3895844 -1.0776269 -1.1484417 -2.8509727 2 O -2.7012492 -1.7022342 0.7514353 -1.0240320 -2.2969194 0.3895844 1.0776269 1.1484417 -2.8509727 3 O -2.2969194 -1.0240320 0.3895844 -1.7022342 -2.7012492 0.7514353 1.1484417 1.0776269 -2.8509727 4 O -2.2969194 1.0240320 -0.3895844 1.7022342 -2.7012492 0.7514353 -1.1484417 1.0776269 -2.8509727 5 O -2.2969194 -1.0240320 -0.3895844 -1.7022342 -2.7012492 -0.7514353 -1.1484417 -1.0776269 -2.8509727 6 O -2.7012492 1.7022342 0.7514353 1.0240320 -2.2969194 -0.3895844 1.0776269 -1.1484417 -2.8509727 7 O -2.7012492 1.7022342 -0.7514353 1.0240320 -2.2969194 0.3895844 -1.0776269 1.1484417 -2.8509727 8 O -2.2969194 1.0240320 0.3895844 1.7022342 -2.7012492 -0.7514353 1.1484417 -1.0776269 -2.8509727 9 Te 4.9981686 -1.6526286 -0.1786487 -1.6526286 4.9981686 0.1786487 -0.7344437 0.7344437 5.7019454 10 Te 4.9981686 1.6526286 -0.1786487 1.6526286 4.9981686 -0.1786487 -0.7344437 -0.7344437 5.7019454 11 Te 4.9981686 1.6526286 0.1786487 1.6526286 4.9981686 0.1786487 0.7344437 0.7344437 5.7019454 12 Te 4.9981686 -1.6526286 0.1786487 -1.6526286 4.9981686 -0.1786487 0.7344437 -0.7344437 5.7019454 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000020 (xxx) -0.00000020 (xxx) -0.00000020 (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 ... [ 10 10 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 303, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 -0.000) 0.000 3.774 ( -0.000 -0.000 -0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 -0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.270 ( -0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 -0.000) 0.000 5.199 ( -0.000 0.000 0.000) 0.000 5.199 ( -0.000 0.000 0.000) 0.000 6.174 ( 0.000 -0.000 -0.000) 0.000 6.174 ( -0.000 0.000 0.000) 0.000 6.437 ( 0.000 -0.000 0.000) 0.000 6.536 ( 0.000 0.000 -0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 -0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 8.905 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 -0.000) 0.000 9.506 ( -0.000 0.000 -0.000) 0.000 9.759 ( -0.000 0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 15.947 ( 0.000 0.000 0.000) 0.000 16.026 ( -0.000 0.000 -0.000) 0.000 17.917 ( -0.000 0.000 -0.000) 0.000 17.917 ( -0.000 0.000 -0.000) 0.000 18.027 ( -0.000 0.000 0.000) 0.000 21.340 ( -0.000 0.000 0.000) 0.000 21.340 ( -0.000 0.000 -0.000) 0.000 21.697 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 21.478 0.000 0.000) 21.478 0.615 ( 29.393 0.000 0.000) 29.393 0.717 ( 32.631 0.000 0.000) 32.631 2.045 ( 13.542 0.000 0.000) 13.542 2.650 ( -10.662 0.000 0.000) 10.662 3.525 ( -15.749 0.000 0.000) 15.749 3.815 ( 3.555 0.000 0.000) 3.555 4.172 ( 5.700 0.000 0.000) 5.700 4.295 ( 7.029 0.000 0.000) 7.029 4.313 ( 4.113 0.000 0.000) 4.113 5.110 ( 4.553 0.000 0.000) 4.553 5.181 ( -2.080 0.000 0.000) 2.080 5.413 ( -18.371 0.000 0.000) 18.371 6.196 ( 2.397 0.000 0.000) 2.397 6.466 ( -4.367 0.000 0.000) 4.367 6.844 ( 22.636 0.000 0.000) 22.636 7.062 ( 12.525 0.000 0.000) 12.525 7.827 ( -7.028 0.000 0.000) 7.028 7.982 ( 6.937 0.000 0.000) 6.937 8.473 ( 7.797 0.000 0.000) 7.797 8.886 ( -1.141 0.000 0.000) 1.141 9.469 ( -3.787 0.000 0.000) 3.787 9.473 ( -2.102 0.000 0.000) 2.102 9.693 ( -2.306 0.000 0.000) 2.306 9.797 ( 3.430 0.000 0.000) 3.430 11.173 ( -2.483 0.000 0.000) 2.483 11.844 ( -1.336 0.000 0.000) 1.336 11.901 ( -1.143 0.000 0.000) 1.143 16.024 ( 7.387 0.000 0.000) 7.387 16.120 ( 9.016 0.000 0.000) 9.016 17.892 ( -2.372 0.000 0.000) 2.372 17.991 ( -3.429 0.000 0.000) 3.429 20.000 ( -5.979 0.000 0.000) 5.979 21.087 ( -18.913 0.000 0.000) 18.913 21.859 ( 10.237 0.000 0.000) 10.237 22.639 ( -1.307 0.000 0.000) 1.307 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 18.734 0.000 0.000) 18.734 1.204 ( 26.780 0.000 0.000) 26.780 1.339 ( 26.525 0.000 0.000) 26.525 2.379 ( 16.927 0.000 0.000) 16.927 2.433 ( -8.318 0.000 0.000) 8.318 3.198 ( -15.922 0.000 0.000) 15.922 3.913 ( 5.925 0.000 0.000) 5.925 4.120 ( -6.259 0.000 0.000) 6.259 4.382 ( 1.684 0.000 0.000) 1.684 4.514 ( 8.113 0.000 0.000) 8.113 5.099 ( -5.934 0.000 0.000) 5.934 5.103 ( -5.148 0.000 0.000) 5.148 5.296 ( 9.329 0.000 0.000) 9.329 6.268 ( 3.702 0.000 0.000) 3.702 6.331 ( -7.973 0.000 0.000) 7.973 7.099 ( 9.454 0.000 0.000) 9.454 7.621 ( -12.467 0.000 0.000) 12.467 7.632 ( 33.300 0.000 0.000) 33.300 8.148 ( 8.023 0.000 0.000) 8.023 8.703 ( 13.740 0.000 0.000) 13.740 8.888 ( 1.590 0.000 0.000) 1.590 9.361 ( -5.682 0.000 0.000) 5.682 9.416 ( -3.171 0.000 0.000) 3.171 9.629 ( -3.554 0.000 0.000) 3.554 9.874 ( 3.334 0.000 0.000) 3.334 11.079 ( -6.844 0.000 0.000) 6.844 11.812 ( -1.481 0.000 0.000) 1.481 11.868 ( -1.920 0.000 0.000) 1.920 16.247 ( 13.925 0.000 0.000) 13.925 16.389 ( 16.497 0.000 0.000) 16.497 17.825 ( -3.839 0.000 0.000) 3.839 17.891 ( -6.056 0.000 0.000) 6.056 19.822 ( -10.800 0.000 0.000) 10.800 20.641 ( -23.385 0.000 0.000) 23.385 22.048 ( 7.787 0.000 0.000) 7.787 22.599 ( -2.547 0.000 0.000) 2.547 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 19.398 0.000 0.000) 19.398 1.692 ( 19.344 0.000 0.000) 19.344 1.772 ( 14.066 0.000 0.000) 14.066 2.375 ( 3.958 0.000 0.000) 3.958 2.684 ( 11.031 0.000 0.000) 11.031 2.862 ( -16.267 0.000 0.000) 16.267 3.974 ( -6.631 0.000 0.000) 6.631 4.053 ( 6.811 0.000 0.000) 6.811 4.375 ( -1.868 0.000 0.000) 1.868 4.563 ( -1.831 0.000 0.000) 1.831 4.995 ( -4.542 0.000 0.000) 4.542 5.129 ( 6.557 0.000 0.000) 6.557 5.519 ( 10.119 0.000 0.000) 10.119 6.188 ( -3.395 0.000 0.000) 3.395 6.298 ( -1.815 0.000 0.000) 1.815 7.327 ( -15.630 0.000 0.000) 15.630 7.329 ( 12.784 0.000 0.000) 12.784 8.266 ( 1.861 0.000 0.000) 1.861 8.302 ( 30.299 0.000 0.000) 30.299 8.931 ( 3.028 0.000 0.000) 3.028 9.010 ( 13.642 0.000 0.000) 13.642 9.302 ( 1.792 0.000 0.000) 1.792 9.344 ( -3.872 0.000 0.000) 3.872 9.555 ( -3.432 0.000 0.000) 3.432 9.919 ( 1.090 0.000 0.000) 1.090 10.882 ( -12.120 0.000 0.000) 12.120 11.787 ( -0.948 0.000 0.000) 0.948 11.826 ( -2.017 0.000 0.000) 2.017 16.586 ( 18.222 0.000 0.000) 18.222 16.781 ( 20.555 0.000 0.000) 20.555 17.741 ( -4.162 0.000 0.000) 4.162 17.746 ( -7.796 0.000 0.000) 7.796 19.573 ( -12.470 0.000 0.000) 12.470 20.138 ( -24.495 0.000 0.000) 24.495 22.185 ( 5.538 0.000 0.000) 5.538 22.536 ( -3.496 0.000 0.000) 3.496 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 20.438 0.000 0.000) 20.438 1.950 ( 5.505 0.000 0.000) 5.505 1.969 ( 6.850 0.000 0.000) 6.850 2.505 ( -17.239 0.000 0.000) 17.239 2.561 ( 11.216 0.000 0.000) 11.216 2.825 ( 1.313 0.000 0.000) 1.313 3.901 ( 0.543 0.000 0.000) 0.543 4.116 ( -2.846 0.000 0.000) 2.846 4.373 ( 3.463 0.000 0.000) 3.463 4.512 ( -2.390 0.000 0.000) 2.390 4.948 ( 0.889 0.000 0.000) 0.889 5.197 ( -3.081 0.000 0.000) 3.081 5.699 ( 9.574 0.000 0.000) 9.574 6.181 ( -9.180 0.000 0.000) 9.180 6.285 ( 12.380 0.000 0.000) 12.380 6.983 ( -17.382 0.000 0.000) 17.382 7.619 ( 14.811 0.000 0.000) 14.811 8.185 ( -9.350 0.000 0.000) 9.350 8.860 ( 22.882 0.000 0.000) 22.882 9.010 ( 5.093 0.000 0.000) 5.093 9.229 ( 6.961 0.000 0.000) 6.961 9.253 ( -4.902 0.000 0.000) 4.902 9.408 ( 4.173 0.000 0.000) 4.173 9.489 ( -3.029 0.000 0.000) 3.029 9.972 ( 6.583 0.000 0.000) 6.583 10.584 ( -16.253 0.000 0.000) 16.253 11.773 ( -0.419 0.000 0.000) 0.419 11.790 ( -1.371 0.000 0.000) 1.371 16.975 ( 18.433 0.000 0.000) 18.433 17.200 ( 18.540 0.000 0.000) 18.540 17.565 ( -9.876 0.000 0.000) 9.876 17.651 ( -4.891 0.000 0.000) 4.891 19.354 ( -7.023 0.000 0.000) 7.023 19.660 ( -20.488 0.000 0.000) 20.488 22.286 ( 4.417 0.000 0.000) 4.417 22.457 ( -3.969 0.000 0.000) 3.969 ======================= Grid point 5 (6/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -5.082 0.000 0.000) 5.082 1.987 ( 5.082 0.000 0.000) 5.082 2.139 ( -16.834 0.000 0.000) 16.834 2.139 ( 16.834 0.000 0.000) 16.834 2.759 ( -7.009 0.000 0.000) 7.009 2.759 ( 7.009 0.000 0.000) 7.009 3.990 ( -6.921 0.000 0.000) 6.921 3.990 ( 6.921 0.000 0.000) 6.921 4.459 ( -3.317 0.000 0.000) 3.317 4.459 ( 3.317 0.000 0.000) 3.317 5.048 ( -8.118 0.000 0.000) 8.118 5.048 ( 8.118 0.000 0.000) 8.118 5.944 ( -12.748 0.000 0.000) 12.748 5.944 ( 12.748 0.000 0.000) 12.748 6.614 ( -17.686 0.000 0.000) 17.686 6.614 ( 17.686 0.000 0.000) 17.686 7.927 ( -14.380 0.000 0.000) 14.380 7.927 ( 14.380 0.000 0.000) 14.380 9.124 ( -4.600 0.000 0.000) 4.600 9.124 ( 4.600 0.000 0.000) 4.600 9.236 ( -8.827 0.000 0.000) 8.827 9.236 ( 8.827 0.000 0.000) 8.827 9.429 ( -2.042 0.000 0.000) 2.042 9.429 ( 2.042 0.000 0.000) 2.042 10.232 ( -16.624 0.000 0.000) 16.624 10.232 ( 16.624 0.000 0.000) 16.624 11.771 ( -0.368 0.000 0.000) 0.368 11.771 ( 0.368 0.000 0.000) 0.368 17.319 ( -14.213 0.000 0.000) 14.213 17.319 ( 14.213 0.000 0.000) 14.213 17.504 ( -10.298 0.000 0.000) 10.298 17.504 ( 10.298 0.000 0.000) 10.298 19.351 ( -7.771 0.000 0.000) 7.771 19.351 ( 7.771 0.000 0.000) 7.771 22.373 ( -4.106 0.000 0.000) 4.106 22.373 ( 4.106 0.000 0.000) 4.106 ======================= Grid point 12 (7/84) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 14.682 14.682 0.000) 20.764 0.736 ( 16.113 16.113 0.000) 22.787 1.084 ( 23.415 23.415 0.000) 33.114 2.105 ( 8.088 8.088 0.000) 11.438 2.554 ( -7.409 -7.409 0.000) 10.478 3.487 ( -6.685 -6.685 0.000) 9.455 3.758 ( -0.697 -0.697 0.000) 0.985 4.249 ( -0.552 -0.552 0.000) 0.780 4.319 ( 9.172 9.172 0.000) 12.970 4.415 ( 5.267 5.267 0.000) 7.449 4.917 ( -8.329 -8.329 0.000) 11.780 5.168 ( 3.872 3.872 0.000) 5.475 5.508 ( -7.424 -7.424 0.000) 10.499 6.220 ( 5.893 5.893 0.000) 8.334 6.535 ( -4.264 -4.264 0.000) 6.030 6.939 ( 13.651 13.651 0.000) 19.306 7.028 ( 5.066 5.066 0.000) 7.165 7.821 ( -3.611 -3.611 0.000) 5.106 8.044 ( 6.493 6.493 0.000) 9.182 8.455 ( 3.409 3.409 0.000) 4.822 8.858 ( -1.916 -1.916 0.000) 2.710 9.402 ( -4.619 -4.619 0.000) 6.533 9.494 ( -1.041 -1.041 0.000) 1.473 9.671 ( -1.143 -1.143 0.000) 1.617 9.817 ( 2.231 2.231 0.000) 3.154 11.129 ( -4.263 -4.263 0.000) 6.028 11.803 ( -0.347 -0.347 0.000) 0.490 11.992 ( 1.803 1.803 0.000) 2.550 15.977 ( 0.035 0.035 0.000) 0.050 16.304 ( 13.770 13.770 0.000) 19.474 17.841 ( -3.836 -3.836 0.000) 5.425 17.955 ( -3.370 -3.370 0.000) 4.766 20.083 ( 0.885 0.885 0.000) 1.252 21.110 ( -10.175 -10.175 0.000) 14.389 21.407 ( -9.646 -9.646 0.000) 13.641 22.879 ( 6.544 6.544 0.000) 9.254 ======================= Grid point 13 (8/84) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 17.317 7.853 0.000) 19.014 1.174 ( 23.647 2.656 0.000) 23.796 1.552 ( 20.344 14.491 0.000) 24.977 2.269 ( 2.013 -7.630 0.000) 7.891 2.491 ( 6.426 4.518 0.000) 7.855 3.262 ( -12.786 4.340 0.000) 13.502 3.825 ( 5.055 -5.184 0.000) 7.241 4.189 ( -4.374 4.995 0.000) 6.640 4.426 ( -0.519 3.553 0.000) 3.591 4.563 ( 8.398 2.409 0.000) 8.736 4.828 ( -1.615 -9.932 0.000) 10.062 5.258 ( -5.288 3.088 0.000) 6.124 5.337 ( 5.277 1.417 0.000) 5.464 6.316 ( -1.878 2.803 0.000) 3.374 6.388 ( -3.051 3.525 0.000) 4.662 7.087 ( 8.226 3.356 0.000) 8.884 7.461 ( 18.790 -9.175 0.000) 20.911 7.691 ( -2.615 0.639 0.000) 2.692 8.215 ( 8.787 3.345 0.000) 9.402 8.633 ( 12.185 -2.439 0.000) 12.426 8.839 ( 0.487 -3.874 0.000) 3.904 9.283 ( -6.124 -3.617 0.000) 7.112 9.443 ( -3.003 -3.154 0.000) 4.355 9.639 ( -2.234 3.181 0.000) 3.887 9.878 ( 3.014 0.355 0.000) 3.035 10.994 ( -8.748 -7.811 0.000) 11.728 11.811 ( 0.705 1.358 0.000) 1.530 11.972 ( -2.725 5.750 0.000) 6.364 16.064 ( 8.298 -8.797 0.000) 12.093 16.644 ( 18.342 16.173 0.000) 24.454 17.739 ( -6.141 -6.754 0.000) 9.128 17.866 ( -4.791 -3.142 0.000) 5.729 19.971 ( -10.481 11.185 0.000) 15.328 20.667 ( -22.944 2.238 0.000) 23.053 21.548 ( 11.822 -30.872 0.000) 33.058 22.886 ( -4.020 12.388 0.000) 13.024 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 18.259 5.657 0.000) 19.115 1.635 ( 19.161 -2.453 0.000) 19.318 1.878 ( 10.348 6.846 0.000) 12.408 2.299 ( 4.697 -5.882 0.000) 7.527 2.693 ( 8.324 1.152 0.000) 8.403 2.991 ( -12.844 10.103 0.000) 16.342 3.900 ( 0.786 -5.024 0.000) 5.085 4.114 ( -1.694 4.714 0.000) 5.009 4.393 ( -0.819 2.997 0.000) 3.107 4.658 ( 0.397 5.473 0.000) 5.487 4.804 ( -1.217 -10.105 0.000) 10.178 5.158 ( -1.432 -1.898 0.000) 2.377 5.561 ( 11.621 2.695 0.000) 11.929 6.207 ( -2.133 1.227 0.000) 2.461 6.387 ( -1.858 8.256 0.000) 8.463 7.301 ( 7.041 -0.312 0.000) 7.048 7.354 ( -8.654 0.889 0.000) 8.700 8.042 ( 17.978 -12.764 0.000) 22.048 8.380 ( 7.489 -1.195 0.000) 7.584 8.875 ( 4.903 -7.975 0.000) 9.362 8.908 ( 11.173 -8.531 0.000) 14.057 9.197 ( -0.743 1.176 0.000) 1.391 9.391 ( -1.873 -6.572 0.000) 6.834 9.587 ( -2.380 7.097 0.000) 7.486 9.921 ( 1.045 0.115 0.000) 1.051 10.767 ( -13.055 -10.442 0.000) 16.718 11.823 ( 0.353 2.993 0.000) 3.013 11.906 ( -3.212 6.008 0.000) 6.813 16.313 ( 15.395 -16.017 0.000) 22.216 17.032 ( 18.084 14.491 0.000) 23.174 17.588 ( -8.309 -10.251 0.000) 13.196 17.765 ( -4.802 -1.994 0.000) 5.200 19.705 ( -13.490 12.306 0.000) 18.260 20.219 ( -20.335 6.624 0.000) 21.387 21.800 ( 12.224 -25.159 0.000) 27.972 22.751 ( -8.549 9.390 0.000) 12.699 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 18.841 3.204 0.000) 19.111 1.922 ( 8.505 -1.737 0.000) 8.681 2.020 ( 4.672 2.950 0.000) 5.526 2.406 ( -0.293 -4.102 0.000) 4.112 2.708 ( -3.919 7.278 0.000) 8.266 2.839 ( -1.036 2.760 0.000) 2.948 3.894 ( 0.749 -1.142 0.000) 1.366 4.067 ( -4.255 -2.398 0.000) 4.885 4.450 ( 5.699 7.318 0.000) 9.276 4.624 ( -2.650 8.615 0.000) 9.013 4.795 ( 1.749 -11.899 0.000) 12.026 5.102 ( -6.204 -8.425 0.000) 10.462 5.784 ( 10.869 6.098 0.000) 12.463 6.241 ( -5.030 5.011 0.000) 7.100 6.356 ( 8.795 6.939 0.000) 11.202 7.018 ( -16.556 3.227 0.000) 16.868 7.597 ( 14.224 -2.126 0.000) 14.382 8.130 ( -7.431 -5.200 0.000) 9.069 8.625 ( 14.312 -15.112 0.000) 20.814 8.960 ( 1.135 -10.706 0.000) 10.766 9.091 ( 6.759 -14.789 0.000) 16.261 9.298 ( 9.496 8.125 0.000) 12.497 9.353 ( -2.663 -11.516 0.000) 11.820 9.555 ( -0.994 9.797 0.000) 9.848 9.951 ( 3.644 -1.126 0.000) 3.814 10.462 ( -15.952 -10.780 0.000) 19.253 11.825 ( -0.032 3.967 0.000) 3.967 11.851 ( -1.905 5.191 0.000) 5.529 16.679 ( 19.101 -20.225 0.000) 27.819 17.326 ( 2.062 -3.572 0.000) 4.125 17.415 ( -1.449 -2.576 0.000) 2.955 17.668 ( -4.687 -0.176 0.000) 4.691 19.493 ( -5.009 13.699 0.000) 14.586 19.825 ( -17.213 13.301 0.000) 21.754 22.054 ( 12.218 -16.154 0.000) 20.254 22.546 ( -10.962 2.410 0.000) 11.224 ======================= Grid point 16 (11/84) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -4.346 -0.700 0.000) 4.402 1.984 ( 4.346 -0.700 0.000) 4.402 2.184 ( -14.662 3.942 0.000) 15.182 2.184 ( 14.662 3.942 0.000) 15.182 2.774 ( -5.482 1.361 0.000) 5.649 2.774 ( 5.482 1.361 0.000) 5.649 3.959 ( -5.077 -2.108 0.000) 5.497 3.959 ( 5.077 -2.108 0.000) 5.497 4.557 ( -3.989 8.077 0.000) 9.009 4.557 ( 3.989 8.077 0.000) 9.009 4.919 ( -9.407 -10.324 0.000) 13.968 4.919 ( 9.407 -10.324 0.000) 13.968 6.030 ( -12.196 6.968 0.000) 14.046 6.030 ( 12.196 6.968 0.000) 14.046 6.664 ( -17.080 4.695 0.000) 17.714 6.664 ( 17.080 4.695 0.000) 17.714 7.891 ( -13.738 -3.453 0.000) 14.165 7.891 ( 13.738 -3.453 0.000) 14.165 8.870 ( -8.693 -15.634 0.000) 17.888 8.870 ( 8.693 -15.634 0.000) 17.888 9.248 ( -7.150 -11.645 0.000) 13.665 9.248 ( 7.150 -11.645 0.000) 13.665 9.484 ( -6.748 8.918 0.000) 11.183 9.484 ( 6.748 8.918 0.000) 11.183 10.138 ( -13.905 -7.319 0.000) 15.714 10.138 ( 13.905 -7.319 0.000) 15.714 11.828 ( -0.462 4.532 0.000) 4.555 11.828 ( 0.462 4.532 0.000) 4.555 17.066 ( -17.223 -20.068 0.000) 26.445 17.066 ( 17.223 -20.068 0.000) 26.445 17.560 ( -6.277 3.391 0.000) 7.134 17.560 ( 6.277 3.391 0.000) 7.134 19.539 ( -9.122 16.021 0.000) 18.436 19.539 ( 9.122 16.022 0.000) 18.436 22.306 ( -11.994 -6.520 0.000) 13.652 22.306 ( 11.994 -6.520 0.000) 13.652 ======================= Grid point 24 (12/84) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 12.881 12.881 0.000) 18.217 1.340 ( 12.219 12.219 0.000) 17.281 1.852 ( 13.101 13.101 0.000) 18.528 2.133 ( -4.081 -4.081 0.000) 5.771 2.615 ( 6.778 6.778 0.000) 9.586 3.291 ( -2.390 -2.390 0.000) 3.380 3.782 ( 0.967 0.967 0.000) 1.368 4.297 ( 3.788 3.788 0.000) 5.357 4.449 ( -3.417 -3.417 0.000) 4.832 4.534 ( -0.370 -0.370 0.000) 0.524 4.812 ( 5.143 5.143 0.000) 7.273 5.205 ( -7.996 -7.996 0.000) 11.308 5.408 ( 7.276 7.276 0.000) 10.290 6.261 ( -4.751 -4.751 0.000) 6.719 6.510 ( 6.344 6.344 0.000) 8.971 7.310 ( 5.777 5.777 0.000) 8.170 7.318 ( 5.531 5.531 0.000) 7.823 7.650 ( -3.578 -3.578 0.000) 5.061 8.239 ( 0.647 0.647 0.000) 0.915 8.655 ( 1.216 1.216 0.000) 1.719 8.769 ( -2.003 -2.003 0.000) 2.833 9.248 ( 0.809 0.809 0.000) 1.144 9.313 ( -7.401 -7.401 0.000) 10.467 9.721 ( 2.966 2.966 0.000) 4.194 9.891 ( 1.079 1.079 0.000) 1.525 10.777 ( -12.601 -12.601 0.000) 17.820 11.851 ( 2.050 2.050 0.000) 2.899 12.037 ( 0.431 0.431 0.000) 0.609 15.956 ( -1.104 -1.104 0.000) 1.562 16.996 ( 16.924 16.924 0.000) 23.934 17.561 ( -10.317 -10.317 0.000) 14.590 17.782 ( -4.139 -4.139 0.000) 5.854 20.132 ( 1.532 1.532 0.000) 2.166 20.656 ( -8.881 -8.881 0.000) 12.559 21.100 ( -4.546 -4.546 0.000) 6.429 22.978 ( -2.840 -2.840 0.000) 4.017 ======================= Grid point 25 (13/84) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 15.446 8.200 0.000) 17.487 1.627 ( 14.190 2.473 0.000) 14.404 2.009 ( 2.170 4.967 0.000) 5.420 2.183 ( 8.550 -3.945 0.000) 9.416 2.739 ( 4.547 3.005 0.000) 5.450 3.181 ( -7.878 6.694 0.000) 10.338 3.815 ( 1.448 -2.695 0.000) 3.059 4.228 ( -7.551 5.288 0.000) 9.218 4.492 ( 5.200 -1.502 0.000) 5.413 4.531 ( 0.448 -1.853 0.000) 1.906 4.882 ( -2.115 7.691 0.000) 7.977 5.031 ( -4.957 -8.461 0.000) 9.807 5.626 ( 13.000 4.718 0.000) 13.829 6.243 ( 3.942 2.904 0.000) 4.896 6.580 ( -0.204 8.673 0.000) 8.676 7.346 ( 6.058 3.811 0.000) 7.157 7.366 ( -9.662 1.335 0.000) 9.753 7.784 ( 15.270 -11.425 0.000) 19.071 8.263 ( 0.525 -8.346 0.000) 8.362 8.628 ( -1.453 -12.402 0.000) 12.487 8.750 ( -0.854 -7.450 0.000) 7.499 9.161 ( -6.719 -12.395 0.000) 14.099 9.330 ( 5.861 7.255 0.000) 9.327 9.747 ( 0.149 6.723 0.000) 6.724 9.921 ( 1.450 0.172 0.000) 1.460 10.492 ( -14.301 -14.771 0.000) 20.560 11.885 ( 1.164 2.619 0.000) 2.866 12.009 ( -2.502 3.136 0.000) 4.011 16.024 ( 7.537 -10.945 0.000) 13.289 17.243 ( -4.416 -6.590 0.000) 7.932 17.385 ( 3.999 3.061 0.000) 5.036 17.710 ( -2.697 -2.302 0.000) 3.546 20.024 ( -9.485 15.764 0.000) 18.398 20.374 ( -13.230 8.416 0.000) 15.680 21.298 ( 16.892 -21.599 0.000) 27.421 22.811 ( -12.315 -3.640 0.000) 12.842 ======================= Grid point 26 (14/84) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 12.963 1.689 0.000) 13.072 1.887 ( 9.922 0.456 0.000) 9.932 2.066 ( 4.833 1.480 0.000) 5.055 2.343 ( 4.669 -2.394 0.000) 5.247 2.791 ( 0.569 2.276 0.000) 2.346 2.977 ( -10.536 8.478 0.000) 13.523 3.848 ( 2.322 -2.620 0.000) 3.501 4.066 ( -7.541 1.408 0.000) 7.671 4.519 ( 0.784 -12.312 0.000) 12.337 4.624 ( 2.266 1.941 0.000) 2.983 4.769 ( -1.697 3.368 0.000) 3.771 4.989 ( -2.930 4.912 0.000) 5.720 5.913 ( 14.215 6.935 0.000) 15.817 6.366 ( 1.448 7.040 0.000) 7.187 6.553 ( 3.401 10.980 0.000) 11.494 7.103 ( -14.192 4.566 0.000) 14.908 7.537 ( 11.177 -3.234 0.000) 11.635 7.975 ( -2.464 -9.519 0.000) 9.832 8.296 ( 7.768 -16.311 0.000) 18.066 8.671 ( 0.964 -19.268 0.000) 19.292 8.719 ( 1.389 -15.292 0.000) 15.355 9.022 ( -6.890 -18.990 0.000) 20.201 9.466 ( 7.128 5.556 0.000) 9.037 9.734 ( -2.284 5.749 0.000) 6.186 9.948 ( 1.762 1.322 0.000) 2.203 10.212 ( -11.840 -10.704 0.000) 15.961 11.902 ( 0.600 2.985 0.000) 3.044 11.955 ( -2.368 3.911 0.000) 4.572 16.257 ( 14.455 -19.026 0.000) 23.894 16.960 ( -16.671 -22.070 0.000) 27.659 17.559 ( 6.530 8.279 0.000) 10.544 17.671 ( -1.255 1.104 0.000) 1.671 19.874 ( -2.852 20.969 0.000) 21.162 20.124 ( -11.229 14.641 0.000) 18.451 21.690 ( 19.970 -18.305 0.000) 27.091 22.497 ( -17.449 -7.244 0.000) 18.893 ======================= Grid point 27 (15/84) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -3.463 -2.739 0.000) 4.416 1.947 ( 3.463 -2.740 0.000) 4.416 2.274 ( -11.278 3.996 0.000) 11.965 2.274 ( 11.278 3.996 0.000) 11.965 2.820 ( -4.111 3.363 0.000) 5.311 2.820 ( 4.111 3.363 0.000) 5.311 3.928 ( -5.458 -0.972 0.000) 5.544 3.928 ( 5.458 -0.972 0.000) 5.544 4.564 ( -3.670 -12.198 0.000) 12.738 4.564 ( 3.670 -12.198 0.000) 12.738 4.878 ( -7.239 11.264 0.000) 13.390 4.878 ( 7.239 11.264 0.000) 13.390 6.199 ( -12.722 9.407 0.000) 15.822 6.199 ( 12.722 9.407 0.000) 15.822 6.796 ( -14.976 7.517 0.000) 16.757 6.796 ( 14.976 7.517 0.000) 16.757 7.784 ( -12.015 -6.869 0.000) 13.840 7.784 ( 12.015 -6.869 0.000) 13.840 8.524 ( -10.861 -17.524 0.000) 20.616 8.524 ( 10.861 -17.524 0.000) 20.616 8.869 ( -8.057 -22.803 0.000) 24.184 8.869 ( 8.057 -22.803 0.000) 24.184 9.624 ( -7.594 2.413 0.000) 7.968 9.624 ( 7.594 2.413 0.000) 7.968 10.026 ( -6.106 -1.268 0.000) 6.236 10.026 ( 6.106 -1.268 0.000) 6.236 11.918 ( -1.167 3.530 0.000) 3.718 11.918 ( 1.167 3.530 0.000) 3.718 16.597 ( -17.642 -23.333 0.000) 29.252 16.597 ( 17.642 -23.333 0.000) 29.252 17.642 ( -2.086 4.679 0.000) 5.123 17.642 ( 2.086 4.679 0.000) 5.123 19.924 ( -7.042 19.624 0.000) 20.849 19.924 ( 7.042 19.624 0.000) 20.849 22.106 ( -19.802 -12.544 0.000) 23.441 22.106 ( 19.802 -12.544 0.000) 23.441 ======================= Grid point 36 (16/84) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 6.350 6.350 0.000) 8.980 1.775 ( 11.327 11.327 0.000) 16.020 2.048 ( 0.088 0.088 0.000) 0.125 2.192 ( 3.972 3.972 0.000) 5.618 2.799 ( 2.414 2.414 0.000) 3.415 3.249 ( -0.311 -0.311 0.000) 0.440 3.779 ( -0.986 -0.986 0.000) 1.395 4.280 ( -5.025 -5.025 0.000) 7.107 4.295 ( -5.397 -5.397 0.000) 7.632 4.632 ( -5.158 -5.158 0.000) 7.295 4.803 ( 1.485 1.485 0.000) 2.100 5.108 ( 7.824 7.824 0.000) 11.065 5.800 ( 12.326 12.326 0.000) 17.431 6.358 ( 8.482 8.482 0.000) 11.995 6.716 ( 4.413 4.413 0.000) 6.241 7.328 ( -3.414 -3.414 0.000) 4.829 7.476 ( 2.230 2.230 0.000) 3.154 7.629 ( 0.627 0.627 0.000) 0.887 8.093 ( -7.519 -7.519 0.000) 10.634 8.389 ( -10.040 -10.040 0.000) 14.199 8.598 ( -7.328 -7.328 0.000) 10.363 8.878 ( -14.337 -14.337 0.000) 20.275 9.457 ( 4.141 4.141 0.000) 5.856 9.814 ( -1.318 -1.318 0.000) 1.864 9.954 ( 3.190 3.190 0.000) 4.512 10.219 ( -9.600 -9.600 0.000) 13.576 11.925 ( 1.229 1.229 0.000) 1.739 12.032 ( -0.668 -0.668 0.000) 0.944 15.883 ( -2.306 -2.306 0.000) 3.261 16.897 ( -19.440 -19.440 0.000) 27.493 17.587 ( 9.306 9.306 0.000) 13.161 17.688 ( 0.288 0.288 0.000) 0.407 20.230 ( 3.612 3.612 0.000) 5.109 20.568 ( 4.847 4.847 0.000) 6.854 21.009 ( -0.432 -0.432 0.000) 0.611 22.620 ( -14.077 -14.077 0.000) 19.909 ======================= Grid point 37 (17/84) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 7.135 -1.000 0.000) 7.205 1.967 ( 1.585 4.446 0.000) 4.720 2.126 ( 10.775 5.702 0.000) 12.191 2.292 ( 4.977 -2.786 0.000) 5.704 2.836 ( 1.600 2.230 0.000) 2.745 3.148 ( -9.533 7.715 0.000) 12.264 3.789 ( 2.572 -3.679 0.000) 4.489 4.076 ( -9.710 -1.381 0.000) 9.807 4.259 ( -1.551 -12.234 0.000) 12.332 4.406 ( -10.009 -14.789 0.000) 17.858 4.985 ( 10.044 12.939 0.000) 16.380 5.207 ( 1.205 11.278 0.000) 11.342 6.112 ( 16.631 12.762 0.000) 20.964 6.548 ( 5.810 10.842 0.000) 12.301 6.774 ( 3.245 9.798 0.000) 10.321 7.185 ( -9.826 2.755 0.000) 10.205 7.486 ( 2.943 -1.120 0.000) 3.149 7.748 ( 2.247 -11.712 0.000) 11.925 7.962 ( -1.298 -15.513 0.000) 15.567 8.272 ( -0.589 -17.130 0.000) 17.140 8.431 ( -9.370 -13.557 0.000) 16.480 8.585 ( -12.966 -22.425 0.000) 25.904 9.512 ( 2.113 -0.550 0.000) 2.183 9.707 ( -7.207 -7.227 0.000) 10.206 10.030 ( 3.719 5.940 0.000) 7.008 10.122 ( -1.425 1.641 0.000) 2.173 11.943 ( 0.722 1.027 0.000) 1.256 12.000 ( -1.956 0.512 0.000) 2.022 15.931 ( 6.758 -11.758 0.000) 13.562 16.496 ( -18.551 -21.553 0.000) 28.437 17.711 ( 2.472 4.755 0.000) 5.360 17.730 ( 3.356 5.690 0.000) 6.606 20.259 ( 1.142 13.862 0.000) 13.909 20.468 ( -8.427 20.238 0.000) 21.922 21.314 ( 22.316 -17.512 0.000) 28.367 22.256 ( -20.382 -15.466 0.000) 25.585 ======================= Grid point 38 (18/84) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -6.080 -0.757 0.000) 6.127 1.899 ( 6.080 -0.757 0.000) 6.127 2.325 ( -4.215 0.469 0.000) 4.241 2.325 ( 4.215 0.469 0.000) 4.241 2.926 ( -8.733 7.094 0.000) 11.251 2.926 ( 8.733 7.094 0.000) 11.251 3.894 ( -7.340 -3.196 0.000) 8.005 3.894 ( 7.340 -3.196 0.000) 8.005 4.270 ( -3.235 -14.091 0.000) 14.457 4.270 ( 3.235 -14.091 0.000) 14.457 5.156 ( -5.823 13.287 0.000) 14.507 5.156 ( 5.823 13.287 0.000) 14.507 6.439 ( -13.319 14.003 0.000) 19.326 6.439 ( 13.319 14.003 0.000) 19.326 6.958 ( -11.615 7.813 0.000) 13.999 6.958 ( 11.615 7.813 0.000) 13.999 7.615 ( -8.801 -8.997 0.000) 12.586 7.615 ( 8.801 -8.997 0.000) 12.586 8.145 ( -13.173 -18.968 0.000) 23.094 8.145 ( 13.173 -18.968 0.000) 23.094 8.382 ( -6.634 -22.479 0.000) 23.437 8.382 ( 6.634 -22.479 0.000) 23.437 9.578 ( -4.660 -5.012 0.000) 6.844 9.578 ( 4.660 -5.012 0.000) 6.844 10.093 ( -2.113 5.796 0.000) 6.170 10.093 ( 2.113 5.796 0.000) 6.170 11.963 ( -1.393 0.876 0.000) 1.645 11.963 ( 1.393 0.876 0.000) 1.645 16.152 ( -14.117 -18.741 0.000) 23.463 16.152 ( 14.117 -18.741 0.000) 23.463 17.751 ( -1.021 5.623 0.000) 5.715 17.751 ( 1.021 5.623 0.000) 5.715 20.321 ( -5.178 18.383 0.000) 19.098 20.321 ( 5.178 18.383 0.000) 19.098 21.797 ( -23.321 -16.810 0.000) 28.748 21.797 ( 23.321 -16.810 0.000) 28.748 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 5.259 5.259 0.000) 7.437 2.038 ( 1.061 1.061 0.000) 1.500 2.235 ( -1.181 -1.181 0.000) 1.670 2.265 ( 5.240 5.240 0.000) 7.410 2.910 ( 6.138 6.138 0.000) 8.680 3.257 ( 0.452 0.452 0.000) 0.639 3.694 ( -3.442 -3.442 0.000) 4.868 3.964 ( -10.111 -10.111 0.000) 14.299 4.068 ( -4.357 -4.357 0.000) 6.161 4.149 ( -8.688 -8.688 0.000) 12.286 5.232 ( 10.154 10.154 0.000) 14.360 5.378 ( 4.438 4.438 0.000) 6.276 6.432 ( 17.184 17.184 0.000) 24.302 6.797 ( 10.798 10.798 0.000) 15.271 6.946 ( 6.869 6.869 0.000) 9.715 7.199 ( -1.544 -1.544 0.000) 2.183 7.474 ( -3.687 -3.687 0.000) 5.214 7.549 ( -4.164 -4.164 0.000) 5.889 7.677 ( -9.667 -9.667 0.000) 13.672 8.002 ( -7.831 -7.831 0.000) 11.075 8.125 ( -19.798 -19.798 0.000) 27.999 8.168 ( -12.311 -12.311 0.000) 17.410 9.481 ( -1.575 -1.575 0.000) 2.228 9.555 ( -5.998 -5.998 0.000) 8.483 10.147 ( 4.634 4.634 0.000) 6.554 10.184 ( 2.725 2.725 0.000) 3.854 11.954 ( 0.294 0.294 0.000) 0.416 11.989 ( -1.188 -1.188 0.000) 1.680 15.786 ( -2.056 -2.056 0.000) 2.908 16.099 ( -16.147 -16.147 0.000) 22.835 17.798 ( 3.980 3.980 0.000) 5.628 17.836 ( 3.371 3.371 0.000) 4.768 20.483 ( 9.390 9.390 0.000) 13.279 20.888 ( 7.904 7.904 0.000) 11.178 21.019 ( 0.535 0.535 0.000) 0.756 21.878 ( -20.428 -20.428 0.000) 28.890 ======================= Grid point 49 (20/84) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -7.888 5.390 0.000) 9.554 1.947 ( 7.888 5.390 0.000) 9.554 2.282 ( -3.027 -4.565 0.000) 5.477 2.282 ( 3.027 -4.564 0.000) 5.477 3.110 ( -11.661 10.109 0.000) 15.433 3.110 ( 11.661 10.109 0.000) 15.433 3.754 ( -8.330 -10.410 0.000) 13.332 3.754 ( 8.330 -10.410 0.000) 13.332 4.044 ( -1.863 -6.544 0.000) 6.804 4.044 ( 1.863 -6.544 0.000) 6.804 5.382 ( -3.875 7.873 0.000) 8.775 5.382 ( 3.875 7.873 0.000) 8.775 6.767 ( -12.892 16.542 0.000) 20.972 6.767 ( 12.892 16.542 0.000) 20.972 7.123 ( -7.808 8.187 0.000) 11.313 7.123 ( 7.808 8.187 0.000) 11.313 7.426 ( -4.288 -8.763 0.000) 9.756 7.426 ( 4.288 -8.763 0.000) 9.756 7.761 ( -13.258 -17.342 0.000) 21.830 7.761 ( 13.258 -17.342 0.000) 21.830 7.983 ( -4.842 -15.015 0.000) 15.776 7.983 ( 4.842 -15.015 0.000) 15.776 9.476 ( -1.582 -3.999 0.000) 4.301 9.476 ( 1.582 -3.999 0.000) 4.301 10.206 ( -0.864 4.303 0.000) 4.388 10.206 ( 0.864 4.303 0.000) 4.388 11.965 ( -0.907 -0.412 0.000) 0.996 11.965 ( 0.907 -0.412 0.000) 0.996 15.847 ( -7.800 -10.236 0.000) 12.869 15.847 ( 7.800 -10.236 0.000) 12.869 17.857 ( -1.274 4.100 0.000) 4.293 17.857 ( 1.274 4.100 0.000) 4.293 20.689 ( -10.999 17.311 0.000) 20.510 20.689 ( 10.999 17.312 0.000) 20.510 21.428 ( -22.508 -18.301 0.000) 29.010 21.428 ( 22.508 -18.301 0.000) 29.010 ======================= Grid point 65 (21/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.186 ( -0.000 -0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.584 ( -0.000 -0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.417 ( -0.000 -0.000 0.000) 0.001 7.417 ( 0.000 0.000 0.000) 0.000 7.451 ( -0.000 -0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.001 7.818 ( -0.000 -0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 11.959 ( 0.000 0.000 0.000) 0.000 11.959 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 17.903 ( 0.000 0.000 0.000) 0.000 17.903 ( 0.000 0.000 0.000) 0.000 21.033 ( -0.000 -0.000 0.000) 0.000 21.033 ( 0.000 0.000 0.000) 0.000 21.070 ( 0.000 0.000 0.000) 0.000 21.070 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 121 (22/84) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 0.000 0.000 22.504) 22.504 0.452 ( -0.000 -0.000 23.747) 23.747 0.859 ( -0.000 -0.000 42.469) 42.469 1.870 ( 0.000 0.000 -2.598) 2.598 3.202 ( -0.000 -0.000 -21.695) 21.695 3.405 ( -0.000 -0.000 -20.781) 20.781 3.858 ( 0.000 0.000 -4.337) 4.337 3.990 ( 0.000 0.000 5.997) 5.997 4.440 ( 0.000 0.000 13.473) 13.473 4.486 ( 0.000 0.000 17.872) 17.872 5.126 ( 0.000 0.000 7.100) 7.100 5.159 ( 0.000 0.000 -0.584) 0.584 5.301 ( -0.000 -0.000 5.573) 5.573 6.090 ( 0.000 0.000 -5.115) 5.115 6.224 ( 0.000 0.000 1.779) 1.779 6.476 ( 0.000 0.000 4.207) 4.207 6.493 ( -0.000 -0.000 -4.148) 4.148 7.937 ( 0.000 0.000 3.695) 3.695 7.986 ( 0.000 0.000 -1.161) 1.161 8.053 ( -0.000 -0.000 -19.996) 19.996 8.520 ( 0.000 0.000 -1.339) 1.339 9.162 ( -0.000 -0.000 -19.083) 19.083 9.716 ( 0.000 0.000 10.768) 10.768 9.910 ( -0.000 -0.000 14.383) 14.383 9.924 ( 0.000 0.000 12.857) 12.857 10.654 ( 0.000 0.000 -2.672) 2.672 11.155 ( -0.000 -0.000 -4.366) 4.366 11.795 ( 0.000 0.000 -11.851) 11.851 16.141 ( 0.000 0.000 11.595) 11.595 17.772 ( 0.000 0.000 -9.653) 9.653 18.000 ( 0.000 0.000 3.151) 3.151 18.036 ( 0.000 0.000 0.833) 0.833 21.302 ( 0.000 0.000 -0.359) 0.359 21.323 ( 0.000 0.000 -0.811) 0.811 21.366 ( 0.000 0.000 1.704) 1.704 21.677 ( 0.000 0.000 -2.072) 2.072 ======================= Grid point 122 (23/84) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 16.156 0.000 15.231) 22.203 0.783 ( 24.615 0.000 11.010) 26.965 1.059 ( 17.779 0.000 33.009) 37.492 2.001 ( 12.398 0.000 -3.846) 12.981 2.784 ( -21.060 0.000 0.859) 21.077 3.334 ( -5.348 0.000 -13.638) 14.649 3.957 ( 4.321 0.000 4.266) 6.072 4.111 ( 7.403 0.000 0.858) 7.452 4.329 ( -3.640 0.000 7.803) 8.611 4.474 ( 2.762 0.000 10.994) 11.336 5.046 ( -5.101 0.000 -4.376) 6.721 5.281 ( -3.145 0.000 2.309) 3.901 5.315 ( -1.866 0.000 -1.233) 2.237 6.181 ( 3.676 0.000 -2.658) 4.537 6.340 ( 0.770 0.000 -10.615) 10.643 6.696 ( 16.560 0.000 -9.716) 19.200 6.891 ( 31.359 0.000 -1.935) 31.419 7.850 ( -7.446 0.000 1.784) 7.656 8.018 ( 4.986 0.000 0.390) 5.002 8.262 ( 14.118 0.000 -18.504) 23.275 8.762 ( 12.284 0.000 -7.040) 14.158 9.149 ( -1.056 0.000 -17.276) 17.308 9.702 ( -1.451 0.000 9.798) 9.905 9.871 ( -3.436 0.000 14.450) 14.853 9.886 ( -0.499 0.000 11.792) 11.803 11.015 ( 15.049 0.000 -23.222) 27.672 11.181 ( 8.095 0.000 -11.586) 14.134 11.788 ( -0.757 0.000 -11.451) 11.476 16.214 ( 6.741 0.000 10.474) 12.456 17.131 ( -37.219 0.000 42.517) 56.507 17.859 ( -4.905 0.000 -1.125) 5.032 18.028 ( -2.434 0.000 2.338) 3.375 20.262 ( -25.856 0.000 20.058) 32.725 21.069 ( -19.461 0.000 -1.859) 19.549 21.851 ( 10.747 0.000 -0.782) 10.776 22.295 ( 19.870 0.000 -22.539) 30.048 ======================= Grid point 123 (24/84) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 17.664 0.000 10.311) 20.453 1.296 ( 23.946 0.000 6.673) 24.858 1.494 ( 21.660 0.000 18.772) 28.663 2.315 ( 15.252 0.000 -5.508) 16.216 2.454 ( -9.736 0.000 -0.276) 9.739 3.204 ( -7.815 0.000 0.115) 7.816 3.964 ( -2.462 0.000 4.242) 4.905 4.175 ( -0.958 0.000 6.331) 6.403 4.363 ( 3.516 0.000 -1.998) 4.044 4.549 ( 3.647 0.000 4.117) 5.500 4.936 ( -4.187 0.000 -10.530) 11.332 5.110 ( -4.802 0.000 -0.394) 4.818 5.442 ( 8.648 0.000 9.524) 12.864 6.207 ( -4.772 0.000 -7.937) 9.261 6.327 ( 2.651 0.000 1.858) 3.237 6.967 ( 10.361 0.000 -9.649) 14.158 7.532 ( 19.749 0.000 -4.550) 20.267 7.710 ( 3.399 0.000 4.105) 5.330 8.164 ( 8.581 0.000 0.162) 8.583 8.592 ( 17.551 0.000 -10.254) 20.327 8.892 ( 2.394 0.000 0.137) 2.398 9.127 ( -0.589 0.000 -12.688) 12.702 9.634 ( -5.015 0.000 11.281) 12.346 9.782 ( -4.633 0.000 13.564) 14.333 9.924 ( 2.855 0.000 6.859) 7.429 11.019 ( -5.637 0.000 -6.493) 8.599 11.463 ( 10.022 0.000 -25.992) 27.857 11.764 ( -1.429 0.000 -10.606) 10.702 16.393 ( 9.618 0.000 8.308) 12.709 16.759 ( -0.584 0.000 31.633) 31.639 17.745 ( -5.944 0.000 -5.039) 7.792 17.946 ( -5.334 0.000 2.795) 6.022 19.888 ( -14.732 0.000 6.575) 16.133 20.621 ( -23.023 0.000 -2.214) 23.130 22.047 ( 7.926 0.000 -0.129) 7.927 22.484 ( 2.832 0.000 -10.220) 10.605 ======================= Grid point 124 (25/84) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 17.512 0.000 8.956) 19.670 1.742 ( 17.426 0.000 3.866) 17.849 1.866 ( 13.134 0.000 10.991) 17.127 2.370 ( 4.623 0.000 1.098) 4.752 2.623 ( 10.823 0.000 -6.203) 12.475 2.992 ( -12.243 0.000 11.749) 16.968 3.897 ( -3.233 0.000 -3.514) 4.775 4.162 ( -0.078 0.000 6.280) 6.280 4.373 ( -1.436 0.000 -0.331) 1.474 4.577 ( -0.706 0.000 1.905) 2.032 4.866 ( -2.975 0.000 -10.501) 10.915 5.144 ( 5.985 0.000 1.188) 6.102 5.644 ( 9.562 0.000 9.622) 13.565 6.080 ( -3.784 0.000 -8.287) 9.110 6.379 ( 0.529 0.000 5.924) 5.948 7.096 ( -1.137 0.000 -11.947) 12.001 7.510 ( 0.596 0.000 8.199) 8.221 8.145 ( 13.486 0.000 -8.842) 16.126 8.410 ( 18.934 0.000 7.283) 20.286 8.907 ( 0.602 0.000 -1.786) 1.885 8.969 ( 17.121 0.000 -4.024) 17.588 9.166 ( 5.151 0.000 -6.396) 8.212 9.510 ( -6.476 0.000 10.037) 11.945 9.695 ( -3.501 0.000 12.691) 13.166 9.963 ( 0.692 0.000 5.246) 5.291 10.844 ( -11.066 0.000 -3.998) 11.766 11.588 ( 3.198 0.000 -18.353) 18.630 11.731 ( -1.726 0.000 -10.031) 10.179 16.619 ( 12.984 0.000 3.542) 13.459 16.947 ( 14.669 0.000 14.077) 20.331 17.621 ( -6.006 0.000 -7.041) 9.255 17.812 ( -7.381 0.000 1.807) 7.599 19.595 ( -13.304 0.000 2.573) 13.551 20.138 ( -22.932 0.000 -0.356) 22.935 22.184 ( 5.529 0.000 -0.008) 5.529 22.491 ( -1.400 0.000 -4.330) 4.550 ======================= Grid point 125 (26/84) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 16.069 0.000 4.879) 16.793 1.952 ( 4.631 0.000 1.564) 4.888 2.110 ( 10.647 0.000 12.625) 16.515 2.556 ( 9.443 0.000 2.635) 9.803 2.648 ( -10.959 0.000 7.268) 13.150 2.815 ( -1.288 0.000 3.212) 3.461 3.870 ( 1.721 0.000 -2.479) 3.018 4.119 ( -5.204 0.000 -1.078) 5.314 4.380 ( 2.986 0.000 0.659) 3.058 4.541 ( -2.787 0.000 2.700) 3.880 4.856 ( 3.133 0.000 -7.963) 8.558 5.181 ( -4.846 0.000 -1.973) 5.232 5.816 ( 9.064 0.000 9.946) 13.457 6.132 ( 4.220 0.000 -2.813) 5.072 6.364 ( 1.661 0.000 6.096) 6.318 6.905 ( -14.186 0.000 -6.932) 15.789 7.678 ( 12.511 0.000 5.488) 13.662 8.173 ( -6.859 0.000 -1.656) 7.056 8.847 ( 17.234 0.000 -0.676) 17.247 8.972 ( 7.034 0.000 -3.229) 7.739 9.209 ( 4.712 0.000 0.011) 4.712 9.331 ( 4.318 0.000 5.081) 6.668 9.404 ( 0.911 0.000 3.105) 3.236 9.635 ( -3.076 0.000 11.674) 12.072 9.994 ( 4.854 0.000 2.624) 5.518 10.566 ( -15.524 0.000 -2.156) 15.673 11.630 ( 1.405 0.000 -13.941) 14.012 11.694 ( -1.772 0.000 -10.242) 10.394 16.930 ( 16.336 0.000 -2.904) 16.592 17.259 ( 13.828 0.000 4.104) 14.424 17.484 ( -7.897 0.000 -6.794) 10.417 17.651 ( -7.814 0.000 -0.839) 7.859 19.379 ( -5.922 0.000 2.983) 6.631 19.696 ( -18.854 0.000 3.067) 19.101 22.285 ( 4.358 0.000 -0.102) 4.359 22.442 ( -3.092 0.000 -1.604) 3.484 ======================= Grid point 126 (27/84) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -4.983 0.000 0.856) 5.056 1.962 ( 4.983 0.000 0.856) 5.056 2.346 ( -13.701 0.000 15.779) 20.897 2.346 ( 13.701 0.000 15.779) 20.897 2.745 ( -6.337 0.000 -0.100) 6.337 2.745 ( 6.337 0.000 -0.100) 6.337 3.974 ( -7.368 0.000 -2.034) 7.644 3.974 ( 7.368 0.000 -2.034) 7.644 4.464 ( -4.318 0.000 0.446) 4.341 4.464 ( 4.318 0.000 0.446) 4.341 5.001 ( -9.790 0.000 -4.513) 10.780 5.001 ( 9.790 0.000 -4.513) 10.780 6.035 ( -10.318 0.000 8.564) 13.409 6.035 ( 10.318 0.000 8.564) 13.409 6.584 ( -15.551 0.000 -2.958) 15.830 6.584 ( 15.551 0.000 -2.958) 15.830 7.952 ( -12.989 0.000 2.500) 13.228 7.952 ( 12.989 0.000 2.500) 13.228 9.054 ( -4.641 0.000 -6.374) 7.885 9.054 ( 4.641 0.000 -6.374) 7.885 9.283 ( -4.903 0.000 5.980) 7.733 9.283 ( 4.903 0.000 5.980) 7.733 9.529 ( -6.515 0.000 8.709) 10.876 9.529 ( 6.515 0.000 8.709) 10.876 10.227 ( -15.883 0.000 -0.706) 15.899 10.227 ( 15.883 0.000 -0.706) 15.899 11.659 ( -1.558 0.000 -11.524) 11.628 11.659 ( 1.558 0.000 -11.524) 11.628 17.256 ( -13.987 0.000 -5.779) 15.134 17.256 ( 13.987 0.000 -5.779) 15.134 17.490 ( -8.458 0.000 -1.505) 8.591 17.490 ( 8.458 0.000 -1.505) 8.591 19.401 ( -8.367 0.000 4.715) 9.604 19.401 ( 8.367 0.000 4.715) 9.604 22.369 ( -3.831 0.000 -0.469) 3.859 22.369 ( 3.831 0.000 -0.469) 3.859 ======================= Grid point 133 (28/84) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 11.982 11.982 12.630) 21.134 0.939 ( 14.421 14.421 13.754) 24.599 1.257 ( 16.305 16.305 22.054) 31.908 2.090 ( 8.937 8.937 -2.677) 12.919 2.620 ( -11.568 -11.568 1.769) 16.454 3.292 ( -3.331 -3.331 -12.852) 13.688 3.963 ( 0.115 0.115 11.392) 11.393 4.230 ( 6.776 6.776 -0.387) 9.590 4.306 ( 0.931 0.931 3.090) 3.359 4.498 ( 1.042 1.042 6.040) 6.217 4.933 ( -7.359 -7.359 0.347) 10.413 5.236 ( 3.012 3.012 5.099) 6.644 5.389 ( -4.238 -4.238 -8.163) 10.128 6.203 ( 5.263 5.263 -2.652) 7.902 6.398 ( -0.880 -0.880 -9.478) 9.559 6.854 ( 10.244 10.244 -9.848) 17.517 6.986 ( 14.483 14.483 3.565) 20.790 7.837 ( -3.898 -3.898 1.892) 5.828 8.043 ( 3.749 3.749 -2.757) 5.976 8.297 ( 6.867 6.867 -13.832) 16.901 8.855 ( 3.857 3.857 -1.398) 5.631 9.146 ( -0.106 -0.106 -14.739) 14.740 9.699 ( -0.533 -0.533 8.689) 8.722 9.815 ( -3.965 -3.965 13.914) 15.001 9.891 ( 0.627 0.627 10.389) 10.427 11.059 ( -2.118 -2.118 -8.318) 8.841 11.334 ( 14.113 14.113 -29.288) 35.442 11.794 ( 0.448 0.448 -11.967) 11.984 16.255 ( 2.845 2.845 11.848) 12.513 16.885 ( -13.266 -13.266 41.636) 45.667 17.800 ( -4.409 -4.409 -2.553) 6.737 17.989 ( -3.572 -3.572 2.198) 5.510 20.200 ( -6.238 -6.238 10.551) 13.753 21.015 ( -12.677 -12.677 -7.450) 19.414 21.509 ( -5.684 -5.684 8.186) 11.472 22.648 ( 13.318 13.318 -18.719) 26.555 ======================= Grid point 134 (29/84) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 15.873 6.766 8.811) 19.374 1.319 ( 20.448 3.905 12.454) 24.258 1.633 ( 18.133 11.025 11.527) 24.151 2.283 ( 3.519 -4.232 -0.576) 5.534 2.466 ( 2.590 3.484 -1.938) 4.754 3.209 ( -4.960 0.122 -4.159) 6.474 3.947 ( -1.792 -0.486 9.874) 10.047 4.218 ( -2.809 3.336 3.172) 5.393 4.414 ( 0.967 3.807 -0.803) 4.009 4.553 ( 6.476 -0.766 -0.251) 6.526 4.809 ( -4.529 -6.091 -1.936) 7.833 5.199 ( -5.778 2.870 -5.745) 8.639 5.420 ( 9.177 -0.354 7.768) 12.028 6.255 ( -4.156 2.224 -6.497) 8.027 6.381 ( 3.151 4.629 0.745) 5.649 7.011 ( 7.718 6.198 -6.485) 11.834 7.445 ( 20.102 -5.957 -0.267) 20.967 7.713 ( -2.895 -0.959 1.917) 3.602 8.184 ( 8.564 -0.067 -4.170) 9.525 8.523 ( 13.275 -2.385 -10.564) 17.132 8.883 ( -0.038 -1.716 4.622) 4.930 9.151 ( 1.209 2.297 -7.674) 8.101 9.646 ( -4.610 -0.758 12.103) 12.973 9.728 ( -4.277 -2.772 9.510) 10.790 9.929 ( 2.558 0.421 7.135) 7.591 10.949 ( -7.863 -6.786 -4.636) 11.374 11.570 ( 7.509 8.036 -23.872) 26.283 11.797 ( -0.345 2.680 -12.221) 12.516 16.300 ( 2.850 -7.540 16.685) 18.530 16.842 ( 7.955 8.078 18.874) 22.017 17.692 ( -5.916 -4.695 -3.681) 8.402 17.889 ( -5.745 -5.058 1.405) 7.782 20.001 ( -12.633 8.505 3.151) 15.552 20.614 ( -21.011 -1.411 -5.001) 21.644 21.619 ( 10.052 -24.651 6.804) 27.477 22.765 ( -0.295 12.510 -11.448) 16.960 ======================= Grid point 135 (30/84) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 16.582 4.358 7.136) 18.571 1.720 ( 16.598 -0.664 8.190) 18.520 1.943 ( 10.869 5.586 8.113) 14.668 2.308 ( 4.994 -4.855 1.538) 7.132 2.645 ( 8.115 2.230 -4.662) 9.621 3.068 ( -8.774 5.643 6.977) 12.550 3.897 ( -2.384 0.173 0.328) 2.413 4.160 ( -3.289 0.977 3.048) 4.589 4.398 ( 0.192 2.275 0.836) 2.431 4.644 ( 0.725 3.448 -1.342) 3.770 4.749 ( -1.613 -6.646 -4.553) 8.216 5.144 ( 0.031 -2.078 -1.402) 2.507 5.648 ( 11.520 1.339 7.498) 13.811 6.165 ( -1.483 5.859 -3.827) 7.153 6.427 ( -0.131 5.145 3.894) 6.454 7.132 ( -0.151 3.525 -9.970) 10.576 7.491 ( -0.080 -1.530 7.536) 7.690 8.009 ( 16.965 -10.850 -3.618) 20.460 8.367 ( 9.296 -5.004 -1.480) 10.661 8.780 ( 8.296 -10.792 -8.323) 15.955 8.910 ( 6.192 -6.513 2.296) 9.275 9.221 ( 5.123 6.472 1.578) 8.404 9.544 ( -4.191 -2.854 12.404) 13.401 9.636 ( -4.401 0.182 5.423) 6.986 9.969 ( 0.950 0.429 5.942) 6.032 10.740 ( -12.264 -9.651 -2.959) 15.884 11.665 ( 2.431 6.077 -16.906) 18.128 11.778 ( -1.289 3.877 -10.930) 11.669 16.435 ( 10.450 -13.260 10.971) 20.134 17.086 ( 13.048 9.915 4.996) 17.132 17.561 ( -6.619 -6.099 -2.592) 9.366 17.761 ( -6.361 -4.141 -0.546) 7.610 19.713 ( -13.680 10.858 1.120) 17.501 20.198 ( -18.950 4.856 -2.175) 19.683 21.843 ( 11.093 -21.960 4.307) 24.977 22.687 ( -6.460 8.521 -6.387) 12.455 ======================= Grid point 136 (31/84) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 14.770 2.194 3.446) 15.324 1.946 ( 5.412 -0.482 2.702) 6.068 2.140 ( 9.559 2.159 12.311) 15.736 2.467 ( 6.130 -4.841 5.195) 9.381 2.713 ( -1.597 2.432 -2.053) 3.561 2.879 ( -7.452 5.941 7.264) 11.983 3.879 ( 1.165 0.126 -1.281) 1.736 4.067 ( -5.500 -2.671 -1.057) 6.205 4.451 ( 3.991 5.890 -0.261) 7.120 4.621 ( -2.920 6.382 -0.059) 7.018 4.750 ( 3.797 -8.714 -3.806) 10.239 5.100 ( -6.063 -6.404 -0.433) 8.829 5.874 ( 10.844 4.693 8.170) 14.365 6.230 ( 2.859 8.208 -0.908) 8.739 6.401 ( 2.146 3.958 4.448) 6.329 6.952 ( -13.818 4.349 -5.906) 15.644 7.650 ( 12.146 -2.653 5.012) 13.405 8.121 ( -5.325 -5.042 -1.332) 7.454 8.617 ( 13.488 -15.616 -0.431) 20.639 8.880 ( 3.511 -10.117 -6.218) 12.383 9.110 ( 7.821 -15.616 1.899) 17.568 9.314 ( 2.907 2.298 2.915) 4.715 9.493 ( -0.895 -2.335 10.798) 11.084 9.585 ( 0.630 4.555 3.354) 5.691 9.988 ( 2.346 -0.049 4.421) 5.005 10.449 ( -15.282 -10.057 -1.441) 18.351 11.696 ( 1.000 5.356 -13.371) 14.438 11.749 ( -1.500 4.316 -10.199) 11.176 16.716 ( 15.740 -16.685 3.700) 23.234 17.262 ( -1.401 -5.533 -4.619) 7.342 17.457 ( 0.417 0.336 2.133) 2.199 17.639 ( -5.097 -0.176 -2.629) 5.738 19.508 ( -4.434 12.292 1.736) 13.182 19.830 ( -16.195 11.155 0.310) 19.667 22.074 ( 11.173 -14.711 2.076) 18.589 22.517 ( -9.523 1.816 -2.930) 10.127 ======================= Grid point 137 (32/84) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -4.317 -0.093 0.376) 4.334 1.964 ( 4.317 -0.093 0.376) 4.334 2.368 ( -12.121 1.699 14.541) 19.007 2.368 ( 12.121 1.699 14.541) 19.007 2.759 ( -5.600 1.294 -0.316) 5.756 2.759 ( 5.600 1.294 -0.316) 5.756 3.949 ( -5.204 -1.780 -1.400) 5.675 3.949 ( 5.204 -1.780 -1.400) 5.675 4.538 ( -4.390 5.600 -1.834) 7.348 4.538 ( 4.390 5.600 -1.834) 7.348 4.913 ( -10.284 -6.479 -0.631) 12.171 4.913 ( 10.284 -6.479 -0.631) 12.171 6.105 ( -10.611 5.931 7.242) 14.150 6.105 ( 10.611 5.931 7.242) 14.150 6.637 ( -15.504 5.042 -2.626) 16.514 6.637 ( 15.504 5.042 -2.626) 16.514 7.915 ( -12.505 -3.587 2.368) 13.223 7.915 ( 12.505 -3.587 2.368) 13.223 8.845 ( -7.418 -15.036 -2.639) 16.973 8.845 ( 7.418 -15.036 -2.639) 16.973 9.253 ( -7.108 -9.798 1.674) 12.220 9.253 ( 7.108 -9.798 1.674) 12.220 9.564 ( -4.487 4.666 7.260) 9.727 9.564 ( 4.487 4.666 7.260) 9.727 10.142 ( -12.735 -6.053 0.587) 14.112 10.142 ( 12.735 -6.053 0.587) 14.112 11.719 ( -1.305 4.776 -11.176) 12.224 11.719 ( 1.305 4.776 -11.176) 12.224 17.047 ( -15.026 -16.862 -1.624) 22.644 17.047 ( 15.026 -16.862 -1.624) 22.644 17.544 ( -4.623 3.508 -1.778) 6.069 17.544 ( 4.623 3.508 -1.778) 6.069 19.559 ( -8.868 13.753 1.941) 16.479 19.559 ( 8.868 13.753 1.941) 16.479 22.304 ( -10.848 -6.303 -0.248) 12.548 22.304 ( 10.848 -6.303 -0.248) 12.548 ======================= Grid point 145 (33/84) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 11.146 11.146 6.313) 16.980 1.483 ( 11.454 11.454 13.516) 21.097 1.879 ( 11.257 11.257 6.506) 17.199 2.188 ( -3.019 -3.019 3.248) 5.365 2.589 ( 6.916 6.916 -2.367) 10.063 3.201 ( -0.828 -0.828 -6.104) 6.215 3.949 ( -0.150 -0.150 13.311) 13.312 4.292 ( 2.781 2.781 -0.574) 3.975 4.409 ( -4.601 -4.601 -2.697) 7.043 4.541 ( 1.117 1.117 0.264) 1.601 4.784 ( 2.299 2.299 -2.553) 4.134 5.141 ( -6.139 -6.139 -5.637) 10.352 5.510 ( 8.345 8.345 9.229) 14.982 6.245 ( -1.717 -1.717 -1.299) 2.754 6.502 ( 6.058 6.058 -0.500) 8.582 7.199 ( 6.645 6.645 -7.477) 12.009 7.405 ( 5.913 5.913 5.488) 10.002 7.650 ( -4.314 -4.314 0.390) 6.114 8.171 ( 0.579 0.579 -7.110) 7.157 8.528 ( 1.209 1.209 -12.876) 12.989 8.819 ( -4.251 -4.251 7.617) 9.704 9.242 ( 6.512 6.512 1.428) 9.320 9.528 ( -8.305 -8.305 16.557) 20.299 9.733 ( 0.530 0.530 -0.453) 0.876 9.947 ( 1.537 1.537 8.017) 8.306 10.752 ( -11.702 -11.702 -2.729) 16.773 11.711 ( 4.934 4.934 -16.436) 17.856 11.849 ( 1.724 1.724 -14.589) 14.791 16.166 ( -3.847 -3.847 18.429) 19.215 17.068 ( 12.578 12.578 6.745) 19.024 17.554 ( -8.792 -8.792 -0.765) 12.458 17.773 ( -5.148 -5.148 -1.071) 7.359 20.118 ( 0.249 0.249 -1.169) 1.221 20.507 ( -9.422 -9.422 -10.896) 17.213 21.298 ( -3.575 -3.575 15.942) 16.724 22.875 ( -1.420 -1.420 -10.159) 10.355 ======================= Grid point 146 (34/84) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 13.289 5.719 3.800) 14.958 1.751 ( 13.020 4.345 10.965) 17.568 2.034 ( 4.094 1.904 6.222) 7.688 2.232 ( 7.178 -0.798 3.436) 7.998 2.710 ( 4.200 3.558 -2.845) 6.197 3.161 ( -3.965 2.677 -1.085) 4.905 3.910 ( -3.407 0.716 7.295) 8.084 4.213 ( -7.562 2.983 -0.908) 8.180 4.447 ( 6.183 -0.380 -3.032) 6.897 4.546 ( -0.327 -3.339 0.423) 3.381 4.791 ( -3.279 1.663 -6.619) 7.571 5.062 ( -0.506 -2.300 1.695) 2.902 5.729 ( 12.194 6.603 9.223) 16.654 6.260 ( 4.181 3.887 1.416) 5.882 6.581 ( 0.658 8.129 0.389) 8.165 7.246 ( -1.767 7.175 -5.962) 9.495 7.460 ( -1.505 -1.140 5.381) 5.702 7.765 ( 14.708 -11.648 -1.538) 18.825 8.214 ( 2.491 -8.568 -5.420) 10.440 8.552 ( 1.616 -9.823 -9.398) 13.690 8.735 ( -2.850 -9.364 4.302) 10.691 9.308 ( -7.488 -8.440 8.748) 14.277 9.417 ( 3.878 2.431 11.473) 12.353 9.726 ( -0.334 4.571 -3.686) 5.882 9.983 ( 1.452 1.248 8.027) 8.253 10.487 ( -13.182 -13.239 -0.660) 18.694 11.778 ( 1.843 4.123 -12.218) 13.026 11.859 ( -0.588 3.173 -13.345) 13.730 16.173 ( 4.671 -10.705 14.256) 18.430 17.249 ( -4.518 -2.291 0.350) 5.078 17.399 ( 2.572 -1.573 1.404) 3.326 17.694 ( -2.530 -1.696 -1.841) 3.559 19.993 ( -9.632 14.165 -2.705) 17.342 20.298 ( -9.749 4.286 -6.739) 12.603 21.423 ( 12.666 -16.851 11.533) 24.029 22.741 ( -10.664 -3.406 -7.134) 13.274 ======================= Grid point 147 (35/84) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 10.873 0.466 0.966) 10.925 1.944 ( 4.284 0.893 3.492) 5.598 2.172 ( 10.508 1.024 12.520) 16.377 2.392 ( 6.604 -2.322 4.316) 8.223 2.756 ( 0.530 2.152 -3.581) 4.211 3.006 ( -10.614 5.567 3.399) 12.458 3.859 ( -0.193 -1.524 0.013) 1.537 4.056 ( -7.387 0.703 -0.535) 7.439 4.511 ( 0.275 -6.731 -1.210) 6.845 4.587 ( 0.820 -4.774 -2.802) 5.596 4.745 ( 3.615 7.044 -0.826) 7.961 5.040 ( -3.435 4.098 3.554) 6.420 5.995 ( 13.054 7.213 7.587) 16.733 6.392 ( 3.450 6.829 2.251) 7.975 6.557 ( 1.791 10.650 0.798) 10.829 7.067 ( -12.806 6.115 -3.478) 14.611 7.574 ( 10.055 -4.322 3.520) 11.497 7.960 ( -0.687 -10.718 -1.674) 10.870 8.290 ( 8.137 -15.006 -0.770) 17.087 8.608 ( 1.275 -15.643 -6.373) 16.940 8.727 ( 3.464 -18.443 2.733) 18.963 9.107 ( -10.251 -17.937 7.346) 21.927 9.502 ( 3.993 1.082 3.105) 5.172 9.724 ( -1.530 4.093 -1.600) 4.653 10.007 ( 1.560 2.120 7.013) 7.491 10.237 ( -10.081 -7.460 2.765) 12.842 11.801 ( 0.620 3.950 -11.039) 11.741 11.837 ( -1.228 3.622 -11.228) 11.862 16.351 ( 12.079 -16.849 9.404) 22.765 16.984 ( -15.664 -18.149 2.434) 24.097 17.540 ( 5.831 5.798 -1.951) 8.451 17.660 ( -1.160 2.180 -1.458) 2.867 19.850 ( -2.424 19.174 -2.004) 19.430 20.090 ( -10.168 13.046 -3.283) 16.864 21.743 ( 17.217 -16.615 5.220) 24.489 22.462 ( -15.686 -7.292 -3.632) 17.676 ======================= Grid point 148 (36/84) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -3.749 -1.724 0.445) 4.150 1.946 ( 3.749 -1.724 0.445) 4.150 2.400 ( -7.942 1.080 10.884) 13.517 2.400 ( 7.942 1.080 10.884) 13.517 2.802 ( -6.475 3.129 -1.000) 7.260 2.802 ( 6.475 3.129 -1.000) 7.260 3.917 ( -5.398 -1.467 -1.334) 5.751 3.917 ( 5.398 -1.467 -1.334) 5.751 4.540 ( -2.669 -7.845 -1.646) 8.449 4.540 ( 2.669 -7.845 -1.646) 8.449 4.908 ( -8.601 8.582 2.400) 12.385 4.908 ( 8.601 8.582 2.400) 12.385 6.256 ( -11.534 8.696 5.589) 15.488 6.256 ( 11.534 8.696 5.589) 15.488 6.778 ( -14.272 7.934 -1.813) 16.429 6.778 ( 14.272 7.934 -1.813) 16.429 7.802 ( -10.973 -7.293 1.852) 13.305 7.802 ( 10.973 -7.293 1.852) 13.305 8.505 ( -9.622 -17.078 -2.088) 19.713 8.505 ( 9.622 -17.078 -2.088) 19.713 8.894 ( -10.182 -22.402 2.927) 24.781 8.894 ( 10.182 -22.402 2.927) 24.781 9.620 ( -7.042 -1.140 -0.874) 7.187 9.620 ( 7.042 -1.140 -0.874) 7.187 10.080 ( -5.456 1.418 6.031) 8.255 10.080 ( 5.456 1.418 6.031) 8.255 11.815 ( -0.861 3.785 -10.605) 11.293 11.815 ( 0.861 3.785 -10.605) 11.293 16.649 ( -15.959 -19.975 5.294) 26.109 16.649 ( 15.959 -19.975 5.294) 26.109 17.624 ( -2.636 4.367 -2.015) 5.484 17.624 ( 2.636 4.367 -2.015) 5.484 19.903 ( -6.835 18.228 -1.925) 19.562 19.903 ( 6.835 18.228 -1.925) 19.563 22.110 ( -17.743 -12.199 0.339) 21.535 22.110 ( 17.743 -12.199 0.339) 21.535 ======================= Grid point 157 (37/84) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 6.095 6.095 3.271) 9.220 1.905 ( 9.284 9.284 5.726) 14.323 2.042 ( 1.231 1.231 7.488) 7.688 2.276 ( 3.628 3.628 6.085) 7.960 2.772 ( 2.062 2.062 -2.906) 4.116 3.183 ( -0.437 -0.437 -4.306) 4.351 3.891 ( -3.179 -3.179 6.656) 8.032 4.205 ( -4.977 -4.977 -2.400) 7.437 4.360 ( -3.544 -3.544 3.852) 6.321 4.540 ( -5.298 -5.298 -8.171) 11.086 4.778 ( 5.017 5.017 -1.467) 7.245 5.139 ( 6.144 6.144 2.117) 8.943 5.917 ( 11.360 11.360 10.422) 19.149 6.373 ( 7.735 7.735 1.340) 11.021 6.721 ( 5.022 5.022 0.735) 7.140 7.338 ( -2.259 -2.259 0.857) 3.308 7.479 ( 2.237 2.237 -0.649) 3.229 7.585 ( -1.574 -1.574 -3.025) 3.756 8.061 ( -5.391 -5.391 -3.818) 8.526 8.378 ( -7.197 -7.197 -3.727) 10.839 8.548 ( -8.200 -8.200 1.019) 11.641 9.019 ( -16.221 -16.221 11.226) 25.540 9.478 ( 0.616 0.616 2.120) 2.292 9.779 ( -0.645 -0.645 -5.050) 5.132 10.020 ( 2.240 2.240 8.372) 8.951 10.263 ( -6.602 -6.602 4.523) 10.375 11.835 ( 1.533 1.533 -9.708) 9.947 11.895 ( 0.360 0.360 -13.124) 13.134 16.027 ( -2.850 -2.850 14.229) 14.789 16.960 ( -17.784 -17.784 6.219) 25.908 17.539 ( 7.561 7.561 -4.298) 11.525 17.691 ( 1.311 1.311 -0.635) 1.960 20.191 ( 3.563 3.563 -3.726) 6.267 20.394 ( 4.288 4.288 -12.620) 14.002 21.219 ( -0.746 -0.746 16.433) 16.466 22.563 ( -13.120 -13.120 -5.890) 19.467 ======================= Grid point 158 (38/84) ======================= q-point: ( 0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 6.671 0.025 2.779) 7.227 1.989 ( -0.910 3.440 -0.282) 3.570 2.210 ( 12.488 2.278 9.764) 16.015 2.362 ( 4.596 -0.340 6.972) 8.357 2.797 ( 1.145 1.850 -4.063) 4.608 3.112 ( -7.461 4.842 -2.231) 9.169 3.811 ( -2.249 -3.902 -0.504) 4.532 4.040 ( -9.712 -3.548 -2.335) 10.600 4.314 ( -0.734 -9.993 6.115) 11.738 4.409 ( -4.966 -9.251 1.047) 10.552 4.964 ( 10.072 12.016 -1.965) 15.802 5.214 ( 0.217 9.443 0.153) 9.447 6.189 ( 14.396 11.696 7.248) 19.914 6.555 ( 6.728 9.522 0.580) 11.673 6.782 ( 2.073 10.119 0.956) 10.373 7.179 ( -10.802 4.019 -0.819) 11.555 7.494 ( 3.330 -3.126 0.532) 4.599 7.692 ( 3.583 -13.293 -3.658) 14.245 8.008 ( 1.431 -12.469 1.905) 12.695 8.274 ( -2.197 -14.743 -0.596) 14.918 8.395 ( -6.585 -14.261 -0.400) 15.712 8.676 ( -15.901 -22.484 8.162) 28.723 9.476 ( 0.649 -2.922 -3.592) 4.676 9.679 ( -7.391 -6.737 -3.899) 10.734 10.092 ( 4.306 5.730 7.456) 10.343 10.204 ( -1.023 2.608 8.214) 8.679 11.853 ( 0.514 1.293 -9.373) 9.475 11.885 ( -0.974 0.965 -11.400) 11.482 16.061 ( 5.997 -10.439 13.040) 17.748 16.588 ( -17.377 -18.915 9.177) 27.275 17.658 ( 4.187 5.189 -4.567) 8.082 17.729 ( 1.361 4.118 -1.461) 4.577 20.222 ( 1.459 14.389 -3.534) 14.888 20.389 ( -4.185 17.168 -6.987) 19.002 21.406 ( 16.558 -15.196 8.512) 24.032 22.225 ( -18.837 -15.115 -3.293) 24.374 ======================= Grid point 159 (39/84) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -5.583 0.036 1.434) 5.765 1.917 ( 5.583 0.036 1.434) 5.765 2.399 ( -3.628 -1.534 6.552) 7.644 2.399 ( 3.628 -1.534 6.552) 7.644 2.900 ( -10.003 6.438 -1.807) 12.032 2.900 ( 10.003 6.438 -1.807) 12.032 3.858 ( -6.498 -5.210 -3.520) 9.042 3.858 ( 6.498 -5.210 -3.520) 9.042 4.334 ( -2.444 -9.668 6.463) 11.883 4.334 ( 2.444 -9.668 6.463) 11.883 5.144 ( -6.548 11.759 -1.441) 13.536 5.144 ( 6.548 11.759 -1.441) 13.536 6.478 ( -11.845 12.730 3.821) 17.804 6.478 ( 11.845 12.730 3.821) 17.804 6.941 ( -11.502 7.290 -1.780) 13.734 6.941 ( 11.502 7.290 -1.780) 13.734 7.623 ( -7.490 -9.506 0.889) 12.135 7.623 ( 7.490 -9.506 0.889) 12.135 8.154 ( -9.924 -16.356 -0.441) 19.137 8.154 ( 9.924 -16.356 -0.441) 19.137 8.409 ( -8.683 -22.691 4.166) 24.650 8.409 ( 8.683 -22.691 4.166) 24.650 9.538 ( -5.339 -5.426 -4.386) 8.785 9.538 ( 5.339 -5.426 -4.386) 8.785 10.169 ( -2.752 5.643 8.100) 10.248 10.169 ( 2.752 5.643 8.100) 10.248 11.865 ( -0.786 1.160 -9.999) 10.097 11.865 ( 0.786 1.160 -9.999) 10.097 16.265 ( -13.220 -16.279 11.357) 23.849 16.265 ( 13.220 -16.279 11.357) 23.849 17.723 ( -1.928 4.905 -3.188) 6.160 17.723 ( 1.928 4.905 -3.188) 6.160 20.285 ( -4.655 18.351 -3.371) 19.230 20.285 ( 4.655 18.351 -3.371) 19.230 21.808 ( -20.657 -16.623 0.933) 26.531 21.808 ( 20.657 -16.623 0.933) 26.531 ======================= Grid point 169 (40/84) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 5.226 5.226 3.385) 8.129 2.076 ( 2.094 2.094 0.798) 3.067 2.216 ( 0.515 0.515 2.604) 2.704 2.387 ( 0.718 0.718 8.936) 8.994 2.867 ( 6.254 6.254 -3.945) 9.684 3.183 ( 0.361 0.361 -4.933) 4.960 3.691 ( -5.903 -5.903 -2.755) 8.791 3.876 ( -10.776 -10.776 -5.805) 16.307 4.181 ( -2.221 -2.221 11.736) 12.149 4.264 ( -5.120 -5.120 9.291) 11.780 5.196 ( 9.717 9.717 -3.592) 14.204 5.355 ( 3.403 3.403 -2.600) 5.470 6.469 ( 14.757 14.757 3.521) 21.164 6.772 ( 9.765 9.765 -2.435) 14.023 6.951 ( 4.932 4.932 0.541) 6.996 7.216 ( -1.080 -1.080 1.217) 1.952 7.357 ( -7.682 -7.682 -8.060) 13.527 7.567 ( 0.276 0.276 2.811) 2.838 7.788 ( -6.923 -6.923 4.171) 10.643 8.033 ( -8.206 -8.206 4.409) 12.414 8.121 ( -12.120 -12.120 -1.211) 17.183 8.234 ( -18.225 -18.225 8.819) 27.241 9.421 ( -1.469 -1.469 -5.689) 6.057 9.533 ( -6.340 -6.340 -3.470) 9.615 10.207 ( 4.748 4.748 7.029) 9.721 10.265 ( 2.156 2.156 8.284) 8.827 11.866 ( 0.228 0.228 -9.020) 9.026 11.886 ( -0.593 -0.593 -10.388) 10.422 15.935 ( -1.516 -1.516 15.000) 15.152 16.233 ( -14.723 -14.723 13.415) 24.768 17.754 ( 4.010 4.010 -4.792) 7.424 17.803 ( 2.384 2.384 -3.657) 4.974 20.459 ( 10.023 10.023 -2.279) 14.356 20.726 ( 9.375 9.375 -10.280) 16.777 21.184 ( -1.525 -1.525 10.598) 10.815 21.857 ( -19.688 -19.688 -2.186) 27.929 ======================= Grid point 170 (41/84) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -7.866 6.399 2.625) 10.474 1.983 ( 7.866 6.399 2.625) 10.475 2.323 ( -6.312 -5.903 3.671) 9.389 2.323 ( 6.312 -5.903 3.671) 9.389 3.063 ( -10.642 8.776 -3.339) 14.192 3.063 ( 10.642 8.776 -3.339) 14.192 3.685 ( -5.920 -10.568 -5.503) 13.305 3.685 ( 5.920 -10.568 -5.503) 13.305 4.187 ( -2.264 -4.328 12.613) 13.526 4.187 ( 2.264 -4.328 12.613) 13.526 5.345 ( -4.185 7.014 -3.903) 9.052 5.345 ( 4.185 7.014 -3.903) 9.052 6.764 ( -11.667 13.769 -0.371) 18.051 6.764 ( 11.667 13.769 -0.371) 18.051 7.064 ( -9.168 3.622 -5.029) 11.066 7.064 ( 9.168 3.622 -5.029) 11.066 7.448 ( -10.672 -5.438 2.155) 12.169 7.448 ( 10.672 -5.438 2.155) 12.169 7.844 ( -10.367 -13.654 4.425) 17.705 7.844 ( 10.367 -13.654 4.425) 17.705 8.006 ( -3.589 -14.714 5.535) 16.125 8.006 ( 3.589 -14.714 5.535) 16.125 9.435 ( -2.854 -3.890 -4.684) 6.724 9.435 ( 2.854 -3.890 -4.684) 6.724 10.273 ( -1.448 3.845 7.371) 8.439 10.273 ( 1.448 3.845 7.371) 8.439 11.872 ( -0.512 -0.185 -9.409) 9.425 11.872 ( 0.512 -0.185 -9.409) 9.425 15.998 ( -7.465 -8.978 15.234) 19.194 15.998 ( 7.465 -8.978 15.234) 19.194 17.813 ( -1.384 3.429 -4.794) 6.054 17.813 ( 1.384 3.429 -4.794) 6.054 20.664 ( -9.391 18.205 -2.425) 20.627 20.664 ( 9.391 18.205 -2.425) 20.628 21.437 ( -19.679 -18.666 0.822) 27.136 21.437 ( 19.679 -18.666 0.822) 27.136 ======================= Grid point 186 (42/84) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 0.000 6.250) 6.250 2.132 ( 0.000 0.000 6.250) 6.250 2.184 ( -0.000 -0.000 -0.285) 0.285 2.184 ( 0.000 0.000 -0.285) 0.285 3.195 ( 0.000 0.000 -4.639) 4.639 3.195 ( 0.000 0.000 -4.639) 4.639 3.527 ( 0.000 0.000 -5.217) 5.217 3.527 ( 0.000 0.000 -5.217) 5.217 4.144 ( 0.000 0.000 14.372) 14.372 4.144 ( 0.000 0.000 14.372) 14.372 5.420 ( 0.000 0.000 -4.819) 4.819 5.420 ( 0.000 0.000 -4.819) 4.819 6.997 ( -0.000 -0.000 -1.957) 1.957 6.997 ( 0.000 0.000 -1.957) 1.957 7.016 ( -0.000 -0.000 -10.805) 10.805 7.016 ( 0.000 0.000 -10.805) 10.805 7.466 ( -0.000 -0.000 1.390) 1.390 7.466 ( 0.000 0.000 1.390) 1.390 7.618 ( 0.000 0.000 11.759) 11.759 7.618 ( 0.000 0.000 11.759) 11.759 7.856 ( 0.000 0.000 6.300) 6.300 7.856 ( 0.000 0.000 6.300) 6.300 9.392 ( 0.000 0.000 -4.610) 4.610 9.392 ( 0.000 0.000 -4.610) 4.610 10.315 ( 0.000 0.000 6.902) 6.902 10.315 ( 0.000 0.000 6.902) 6.902 11.869 ( 0.000 0.000 -9.143) 9.143 11.869 ( 0.000 0.000 -9.143) 9.143 15.904 ( 0.000 0.000 16.545) 16.545 15.904 ( 0.000 0.000 16.545) 16.545 17.851 ( 0.000 0.000 -5.584) 5.584 17.851 ( 0.000 0.000 -5.584) 5.584 21.029 ( -0.000 -0.000 -0.382) 0.382 21.029 ( 0.000 0.000 -0.382) 0.382 21.065 ( 0.000 0.000 -0.597) 0.597 21.065 ( 0.000 0.000 -0.597) 0.597 ======================= Grid point 242 (43/84) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.000 -0.000 21.495) 21.495 0.934 ( 0.000 0.000 26.577) 26.577 1.585 ( 0.000 0.000 31.809) 31.809 1.771 ( 0.000 0.000 -8.114) 8.114 2.734 ( 0.000 0.000 -25.346) 25.346 3.018 ( 0.000 0.000 -18.995) 18.995 3.835 ( 0.000 0.000 1.774) 1.774 4.028 ( 0.000 0.000 -1.065) 1.065 4.672 ( 0.000 0.000 10.206) 10.206 4.844 ( -0.000 -0.000 18.068) 18.068 5.132 ( 0.000 0.000 -3.345) 3.345 5.344 ( 0.000 0.000 14.855) 14.855 5.374 ( -0.000 -0.000 1.233) 1.233 5.984 ( 0.000 0.000 -5.881) 5.881 6.253 ( -0.000 -0.000 1.498) 1.498 6.399 ( 0.000 0.000 -4.911) 4.911 6.608 ( 0.000 0.000 9.964) 9.964 7.652 ( -0.000 -0.000 -21.467) 21.467 7.969 ( 0.000 0.000 -0.104) 0.104 8.043 ( 0.000 0.000 7.354) 7.354 8.378 ( -0.000 -0.000 -11.411) 11.411 8.798 ( 0.000 0.000 -18.353) 18.353 9.989 ( 0.000 0.000 15.943) 15.943 10.196 ( 0.000 0.000 15.289) 15.289 10.225 ( 0.000 0.000 18.276) 18.276 10.578 ( 0.000 0.000 -5.237) 5.237 11.025 ( 0.000 0.000 -9.197) 9.197 11.483 ( 0.000 0.000 -19.947) 19.947 16.442 ( 0.000 0.000 18.874) 18.874 17.541 ( 0.000 0.000 -14.501) 14.501 18.045 ( 0.000 0.000 1.669) 1.669 18.055 ( 0.000 0.000 0.987) 0.987 21.294 ( 0.000 0.000 -0.359) 0.359 21.308 ( 0.000 0.000 -0.740) 0.740 21.408 ( 0.000 0.000 2.738) 2.738 21.621 ( 0.000 0.000 -3.550) 3.550 ======================= Grid point 243 (44/84) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 10.597 0.000 19.203) 21.933 1.063 ( 13.275 0.000 18.349) 22.647 1.675 ( 8.307 0.000 26.647) 27.911 1.891 ( 11.246 0.000 -7.184) 13.345 2.592 ( -10.575 0.000 -16.054) 19.224 3.062 ( 4.065 0.000 -14.600) 15.156 3.955 ( 9.449 0.000 0.252) 9.452 4.148 ( 9.232 0.000 -0.806) 9.267 4.562 ( -12.604 0.000 12.164) 17.516 4.722 ( -4.064 0.000 14.146) 14.718 4.956 ( -11.604 0.000 -3.524) 12.127 5.262 ( -8.816 0.000 0.579) 8.835 5.454 ( 5.945 0.000 9.347) 11.078 6.047 ( 2.854 0.000 -8.568) 9.031 6.281 ( 3.520 0.000 1.961) 4.029 6.582 ( 12.971 0.000 -5.326) 14.022 6.924 ( 25.903 0.000 5.553) 26.492 7.776 ( 4.707 0.000 -14.641) 15.379 7.994 ( 6.168 0.000 -1.979) 6.477 8.040 ( 4.632 0.000 1.485) 4.864 8.584 ( 14.744 0.000 -10.945) 18.362 8.827 ( 2.630 0.000 -15.908) 16.124 9.953 ( -3.058 0.000 15.532) 15.830 10.161 ( -3.294 0.000 15.683) 16.025 10.185 ( -2.251 0.000 17.723) 17.865 10.704 ( 9.276 0.000 -10.564) 14.058 11.017 ( -0.555 0.000 -9.831) 9.847 11.483 ( 0.002 0.000 -19.501) 19.501 16.487 ( 4.121 0.000 17.168) 17.656 17.396 ( -12.024 0.000 -4.751) 12.928 17.909 ( -9.599 0.000 4.950) 10.800 18.052 ( -2.114 0.000 0.067) 2.115 20.589 ( -31.574 0.000 13.362) 34.285 21.015 ( -21.109 0.000 -3.794) 21.447 21.832 ( 12.171 0.000 -1.033) 12.214 21.979 ( 21.847 0.000 -10.625) 24.293 ======================= Grid point 244 (45/84) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 13.294 0.000 13.645) 19.051 1.442 ( 20.550 0.000 9.304) 22.558 1.884 ( 9.692 0.000 12.936) 16.164 2.179 ( 14.896 0.000 -8.452) 17.126 2.429 ( -2.278 0.000 2.367) 3.285 3.169 ( 5.347 0.000 -4.552) 7.022 4.060 ( -4.974 0.000 5.159) 7.166 4.300 ( 2.242 0.000 3.066) 3.798 4.345 ( -2.168 0.000 2.553) 3.349 4.644 ( -3.781 0.000 -0.312) 3.794 4.780 ( -4.337 0.000 0.976) 4.446 5.115 ( -3.062 0.000 0.769) 3.158 5.587 ( 7.710 0.000 5.475) 9.456 6.015 ( -5.179 0.000 -10.544) 11.748 6.401 ( 6.858 0.000 5.513) 8.799 6.822 ( 9.015 0.000 -5.991) 10.824 7.473 ( 21.271 0.000 -0.660) 21.281 7.771 ( 1.207 0.000 1.041) 1.594 8.165 ( 12.475 0.000 1.115) 12.525 8.386 ( 22.604 0.000 -9.241) 24.420 8.837 ( 7.677 0.000 -6.234) 9.889 8.901 ( 4.861 0.000 -10.810) 11.852 9.871 ( -4.988 0.000 14.375) 15.216 10.071 ( -5.028 0.000 15.927) 16.702 10.160 ( -0.330 0.000 16.135) 16.138 10.828 ( -0.103 0.000 -12.507) 12.508 11.049 ( 5.081 0.000 -16.811) 17.563 11.478 ( -0.617 0.000 -18.582) 18.592 16.596 ( 5.875 0.000 12.739) 14.029 17.175 ( -6.440 0.000 7.565) 9.935 17.703 ( -9.569 0.000 2.570) 9.908 17.968 ( -5.952 0.000 -0.729) 5.996 20.055 ( -21.040 0.000 10.112) 23.343 20.552 ( -22.582 0.000 -5.049) 23.139 22.047 ( 8.424 0.000 0.301) 8.430 22.282 ( 8.762 0.000 -9.546) 12.957 ======================= Grid point 245 (46/84) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 15.287 0.000 8.692) 17.586 1.827 ( 14.247 0.000 5.180) 15.159 2.047 ( 8.706 0.000 2.506) 9.059 2.457 ( 11.151 0.000 -10.353) 15.216 2.540 ( 10.434 0.000 18.503) 21.242 3.223 ( -1.848 0.000 9.647) 9.823 3.876 ( -7.164 0.000 1.528) 7.326 4.202 ( -8.657 0.000 -3.193) 9.227 4.371 ( 1.109 0.000 0.619) 1.270 4.650 ( 2.914 0.000 -2.844) 4.072 4.684 ( -5.396 0.000 1.401) 5.575 5.152 ( 3.367 0.000 -1.121) 3.549 5.787 ( 10.493 0.000 3.882) 11.188 5.920 ( -0.208 0.000 -7.318) 7.321 6.509 ( 2.561 0.000 7.578) 7.999 6.912 ( -1.271 0.000 -6.922) 7.037 7.651 ( 4.156 0.000 6.564) 7.769 7.975 ( 11.562 0.000 -7.810) 13.953 8.542 ( 21.557 0.000 6.157) 22.419 8.867 ( 11.159 0.000 -4.967) 12.214 8.885 ( 10.722 0.000 -1.625) 10.845 9.061 ( 9.682 0.000 -5.239) 11.008 9.742 ( -7.201 0.000 14.871) 16.522 9.970 ( -4.369 0.000 15.048) 15.670 10.145 ( -1.757 0.000 13.460) 13.575 10.725 ( -8.586 0.000 -8.503) 12.084 11.174 ( 5.563 0.000 -22.786) 23.455 11.455 ( -1.678 0.000 -18.166) 18.243 16.723 ( 6.865 0.000 7.279) 10.005 17.163 ( 4.067 0.000 4.114) 5.784 17.525 ( -7.469 0.000 -0.274) 7.474 17.811 ( -8.952 0.000 -1.948) 9.162 19.684 ( -14.672 0.000 6.809) 16.176 20.107 ( -19.823 0.000 -3.298) 20.095 22.188 ( 5.506 0.000 0.654) 5.545 22.389 ( 2.293 0.000 -5.797) 6.234 ======================= Grid point 246 (47/84) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 12.946 0.000 6.305) 14.400 2.009 ( 5.055 0.000 3.731) 6.282 2.292 ( 12.459 0.000 3.162) 12.854 2.598 ( 1.371 0.000 -7.597) 7.720 2.753 ( 9.042 0.000 19.588) 21.575 3.092 ( -8.934 0.000 18.992) 20.989 3.818 ( 0.947 0.000 -3.109) 3.250 4.035 ( -7.088 0.000 -8.071) 10.742 4.394 ( 1.957 0.000 0.774) 2.104 4.571 ( -5.188 0.000 -1.988) 5.556 4.734 ( 5.585 0.000 -1.458) 5.772 5.107 ( -7.970 0.000 -5.975) 9.961 5.979 ( 11.514 0.000 5.309) 12.679 6.115 ( 13.542 0.000 0.986) 13.578 6.490 ( -3.911 0.000 6.858) 7.895 6.773 ( -11.030 0.000 -5.593) 12.367 7.802 ( 9.865 0.000 6.887) 12.031 8.113 ( 0.818 0.000 -4.255) 4.333 8.840 ( 2.515 0.000 -0.394) 2.546 8.917 ( 8.069 0.000 -2.108) 8.340 9.232 ( 12.515 0.000 2.326) 12.729 9.386 ( 19.046 0.000 1.028) 19.074 9.601 ( -5.083 0.000 16.777) 17.530 9.886 ( -4.550 0.000 13.705) 14.441 10.096 ( -1.249 0.000 8.726) 8.815 10.491 ( -13.563 0.000 -5.754) 14.733 11.269 ( 3.882 0.000 -22.449) 22.782 11.409 ( -2.737 0.000 -18.900) 19.097 16.904 ( 10.570 0.000 0.544) 10.584 17.252 ( 1.403 0.000 -7.080) 7.217 17.406 ( -2.719 0.000 1.399) 3.057 17.612 ( -9.497 0.000 -3.006) 9.962 19.474 ( -4.675 0.000 6.664) 8.140 19.743 ( -15.030 0.000 1.010) 15.064 22.285 ( 3.938 0.000 0.223) 3.945 22.398 ( -1.074 0.000 -2.878) 3.071 ======================= Grid point 247 (48/84) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -4.320 0.000 5.076) 6.666 2.027 ( 4.320 0.000 5.076) 6.666 2.514 ( -8.416 0.000 -0.899) 8.464 2.514 ( 8.416 0.000 -0.899) 8.464 2.916 ( -7.556 0.000 19.408) 20.826 2.916 ( 7.556 0.000 19.408) 20.826 3.897 ( -6.001 0.000 -6.394) 8.769 3.897 ( 6.001 0.000 -6.394) 8.769 4.466 ( -4.674 0.000 -0.450) 4.696 4.466 ( 4.674 0.000 -0.450) 4.696 4.900 ( -10.106 0.000 -5.244) 11.386 4.900 ( 10.106 0.000 -5.244) 11.386 6.222 ( -8.350 0.000 9.564) 12.696 6.222 ( 8.350 0.000 9.564) 12.696 6.515 ( -11.322 0.000 -3.775) 11.934 6.515 ( 11.322 0.000 -3.775) 11.934 8.013 ( -9.077 0.000 3.411) 9.697 8.013 ( 9.077 0.000 3.411) 9.697 8.927 ( -4.737 0.000 -6.036) 7.673 8.927 ( 4.737 0.000 -6.036) 7.673 9.460 ( -7.505 0.000 11.581) 13.801 9.460 ( 7.505 0.000 11.581) 13.801 9.732 ( -10.733 0.000 11.979) 16.084 9.732 ( 10.733 0.000 11.979) 16.084 10.204 ( -11.991 0.000 -1.295) 12.061 10.204 ( 11.991 0.000 -1.295) 12.061 11.344 ( -3.395 0.000 -20.579) 20.858 11.344 ( 3.395 0.000 -20.579) 20.858 17.135 ( -10.426 0.000 -5.930) 11.994 17.135 ( 10.426 0.000 -5.930) 11.994 17.453 ( -5.463 0.000 -2.054) 5.837 17.453 ( 5.463 0.000 -2.054) 5.837 19.504 ( -7.196 0.000 5.285) 8.928 19.504 ( 7.196 0.000 5.285) 8.928 22.355 ( -2.837 0.000 -0.937) 2.988 22.355 ( 2.837 0.000 -0.937) 2.988 ======================= Grid point 254 (49/84) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 7.338 7.338 17.696) 20.514 1.189 ( 11.923 11.923 14.437) 22.197 1.753 ( 7.213 7.213 21.706) 23.984 1.990 ( 8.858 8.858 -6.931) 14.317 2.529 ( -5.039 -5.039 -8.664) 11.218 3.058 ( 1.057 1.057 -11.623) 11.719 4.046 ( 7.034 7.034 0.783) 9.978 4.256 ( 8.542 8.542 -1.040) 12.125 4.474 ( -8.724 -8.724 12.661) 17.678 4.642 ( -4.641 -4.641 8.328) 10.604 4.896 ( -5.918 -5.918 -2.875) 8.849 5.192 ( -6.056 -6.056 -4.078) 9.486 5.475 ( 3.151 3.151 11.769) 12.585 6.092 ( 3.406 3.406 -7.481) 8.898 6.329 ( 3.205 3.205 1.143) 4.674 6.693 ( 9.031 9.031 -7.836) 14.984 7.088 ( 15.282 15.282 7.214) 22.784 7.879 ( 2.678 2.678 -8.294) 9.118 7.898 ( -0.951 -0.951 -2.842) 3.144 8.078 ( 4.842 4.842 -5.425) 8.737 8.753 ( 11.618 11.618 -8.271) 18.394 8.883 ( 5.086 5.086 -12.501) 14.422 9.915 ( -3.111 -3.111 14.486) 15.139 10.115 ( -3.935 -3.935 16.011) 16.951 10.174 ( -0.678 -0.678 17.480) 17.507 10.810 ( 7.063 7.063 -13.310) 16.641 11.001 ( -0.309 -0.309 -11.902) 11.911 11.493 ( 0.754 0.754 -19.070) 19.100 16.523 ( 3.123 3.123 16.177) 16.769 17.296 ( -8.257 -8.257 2.452) 11.931 17.811 ( -7.615 -7.615 4.415) 11.639 18.009 ( -4.055 -4.055 -0.350) 5.746 20.415 ( -13.923 -13.923 10.636) 22.379 20.871 ( -14.913 -14.913 -7.213) 22.290 21.673 ( 0.144 0.144 8.647) 8.649 22.305 ( 14.857 14.857 -15.825) 26.304 ======================= Grid point 255 (50/84) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 11.712 4.392 12.146) 17.435 1.517 ( 18.071 6.486 9.744) 21.530 1.938 ( 9.004 5.443 11.233) 15.391 2.192 ( 9.048 0.553 -8.477) 12.411 2.473 ( 2.215 4.361 5.880) 7.649 3.129 ( 4.973 -2.576 -4.559) 7.221 4.106 ( -5.916 4.045 5.765) 9.197 4.281 ( -4.199 -1.543 2.009) 4.904 4.431 ( 3.625 6.015 2.630) 7.499 4.564 ( -1.376 -6.280 0.360) 6.439 4.771 ( -4.497 -1.107 -0.022) 4.631 5.088 ( -2.434 -3.254 -4.991) 6.436 5.586 ( 7.485 2.523 8.942) 11.931 6.112 ( -1.928 6.373 -7.776) 10.237 6.429 ( 6.246 2.729 4.270) 8.044 6.878 ( 7.736 5.603 -7.436) 12.105 7.472 ( 17.826 0.639 3.457) 18.169 7.761 ( -2.907 -1.502 2.586) 4.171 8.086 ( 9.906 -6.125 -4.628) 12.533 8.285 ( 14.735 -5.066 -12.529) 19.994 8.939 ( 4.387 5.479 -0.449) 7.033 9.021 ( 9.155 10.226 -5.942) 14.956 9.837 ( -4.493 -3.075 12.002) 13.179 10.009 ( -6.095 -5.344 16.358) 18.256 10.170 ( 0.236 1.048 16.425) 16.460 10.819 ( -5.566 -3.818 -8.690) 11.003 11.103 ( 8.290 6.840 -22.228) 24.690 11.506 ( 0.371 2.255 -18.214) 18.356 16.594 ( 3.243 -0.909 14.753) 15.132 17.154 ( -3.220 -0.802 8.182) 8.829 17.649 ( -7.432 -4.423 0.942) 8.700 17.893 ( -6.813 -6.608 -1.307) 9.581 20.091 ( -16.505 2.521 6.048) 17.758 20.497 ( -18.783 -5.736 -6.749) 20.767 21.784 ( 7.951 -13.403 9.887) 18.455 22.504 ( 4.630 10.400 -14.576) 18.495 ======================= Grid point 256 (51/84) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 14.166 1.823 7.501) 16.133 1.856 ( 12.386 1.824 5.672) 13.745 2.099 ( 8.526 4.825 2.153) 10.031 2.398 ( 11.570 -3.881 2.194) 12.399 2.595 ( 6.337 3.781 7.906) 10.815 3.205 ( 0.620 -1.833 5.535) 5.863 3.918 ( -7.861 3.625 1.742) 8.830 4.168 ( -8.012 -0.811 -2.438) 8.414 4.425 ( -0.660 1.923 0.961) 2.249 4.600 ( 1.368 -2.501 -4.334) 5.187 4.712 ( -1.639 1.045 3.642) 4.128 5.102 ( 1.953 -3.649 -3.236) 5.253 5.784 ( 11.213 2.951 5.779) 12.955 6.081 ( 1.268 10.708 -4.754) 11.784 6.531 ( 2.404 2.344 6.762) 7.550 6.965 ( -0.794 5.080 -7.268) 8.903 7.626 ( 2.910 -2.293 6.467) 7.453 7.919 ( 12.126 -5.465 -4.866) 14.163 8.339 ( 14.438 -13.862 -0.703) 20.027 8.612 ( 14.108 -14.508 -8.666) 22.014 8.979 ( 2.786 -0.825 4.001) 4.945 9.235 ( 9.940 12.849 -1.257) 16.293 9.727 ( -5.791 -2.346 10.690) 12.382 9.875 ( -6.249 -7.337 16.229) 18.875 10.170 ( -0.598 2.227 14.307) 14.491 10.650 ( -10.300 -7.440 -6.255) 14.163 11.251 ( 5.614 7.114 -23.822) 25.487 11.502 ( -0.834 3.644 -17.759) 18.148 16.668 ( 4.793 -5.742 12.385) 14.468 17.167 ( 2.618 1.683 1.247) 3.353 17.518 ( -4.783 -1.148 -0.434) 4.938 17.737 ( -7.982 -6.269 -2.244) 10.394 19.764 ( -13.888 7.163 4.404) 16.235 20.132 ( -16.260 1.823 -4.786) 17.048 21.957 ( 8.448 -14.535 7.425) 18.378 22.523 ( -2.119 5.646 -10.108) 11.771 ======================= Grid point 257 (52/84) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 12.124 -0.225 5.018) 13.124 2.014 ( 4.014 -0.032 3.662) 5.434 2.323 ( 11.214 2.415 2.792) 11.806 2.601 ( 3.256 -0.203 -5.366) 6.280 2.699 ( 7.358 -3.460 17.933) 19.690 3.115 ( -8.686 0.989 14.469) 16.905 3.839 ( -0.074 0.319 -3.460) 3.475 4.004 ( -6.988 -0.080 -5.355) 8.805 4.434 ( 1.689 2.585 -1.096) 3.277 4.587 ( -2.975 0.672 -4.360) 5.321 4.730 ( 4.708 0.213 3.236) 5.717 5.069 ( -5.923 -2.230 -3.209) 7.096 6.030 ( 12.369 4.340 6.632) 14.691 6.217 ( 10.439 9.035 -0.571) 13.818 6.513 ( -3.471 2.331 6.781) 7.967 6.833 ( -10.808 5.576 -5.599) 13.388 7.764 ( 9.679 -3.641 6.355) 12.138 8.069 ( 1.143 -4.449 -3.967) 6.070 8.620 ( 10.715 -17.096 0.899) 20.196 8.772 ( 3.586 -11.318 -4.597) 12.731 9.160 ( 11.194 -13.546 3.376) 17.894 9.390 ( 4.765 3.807 2.640) 6.646 9.618 ( -3.574 -4.567 6.026) 8.363 9.786 ( -1.839 -3.658 14.898) 15.450 10.145 ( -1.185 3.310 11.632) 12.151 10.407 ( -12.446 -6.311 -2.159) 14.121 11.344 ( 3.670 6.354 -22.073) 23.261 11.470 ( -2.220 4.706 -18.340) 19.064 16.814 ( 9.165 -8.650 6.308) 14.093 17.173 ( -3.499 -4.685 -4.649) 7.470 17.466 ( -0.231 2.388 -0.810) 2.532 17.581 ( -6.334 -1.469 -3.266) 7.276 19.568 ( -3.969 8.846 4.591) 10.728 19.824 ( -13.192 7.220 -1.284) 15.093 22.130 ( 8.178 -11.101 3.692) 14.274 22.436 ( -5.846 0.044 -5.310) 7.898 ======================= Grid point 258 (53/84) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -4.646 -1.240 4.299) 6.450 2.013 ( 4.646 -1.240 4.299) 6.450 2.526 ( -7.852 0.840 -1.032) 7.964 2.526 ( 7.852 0.840 -1.032) 7.964 2.905 ( -10.505 -1.190 17.200) 20.190 2.905 ( 10.505 -1.190 17.200) 20.190 3.886 ( -4.252 -0.773 -5.618) 7.088 3.886 ( 4.252 -0.773 -5.618) 7.088 4.501 ( -4.425 2.664 -1.612) 5.411 4.501 ( 4.425 2.664 -1.612) 5.411 4.892 ( -9.623 -0.089 -1.543) 9.746 4.892 ( 9.623 -0.089 -1.543) 9.746 6.269 ( -8.770 4.216 8.666) 13.030 6.269 ( 8.770 4.216 8.666) 13.030 6.575 ( -12.154 5.650 -3.518) 13.857 6.575 ( 12.154 5.650 -3.518) 13.857 7.972 ( -8.948 -3.925 3.193) 10.280 7.972 ( 8.948 -3.925 3.193) 10.280 8.776 ( -4.413 -13.130 -3.984) 14.414 8.776 ( 4.413 -13.130 -3.984) 14.414 9.343 ( -7.732 -11.565 7.760) 15.929 9.343 ( 7.732 -11.565 7.760) 15.929 9.705 ( -7.983 -4.142 5.260) 10.418 9.705 ( 7.983 -4.142 5.260) 10.418 10.188 ( -6.884 1.049 5.961) 9.167 10.188 ( 6.884 1.049 5.961) 9.167 11.414 ( -3.122 5.554 -19.918) 20.913 11.414 ( 3.122 5.554 -19.918) 20.913 17.022 ( -9.908 -9.500 -0.603) 13.740 17.022 ( 9.908 -9.500 -0.603) 13.740 17.491 ( -2.506 2.902 -3.424) 5.141 17.491 ( 2.506 2.902 -3.424) 5.141 19.606 ( -7.035 9.352 2.698) 12.010 19.606 ( 7.035 9.352 2.698) 12.010 22.295 ( -7.571 -5.830 -0.671) 9.579 22.295 ( 7.571 -5.830 -0.671) 9.579 ======================= Grid point 266 (54/84) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 8.667 8.667 9.368) 15.427 1.688 ( 9.647 9.647 8.355) 15.999 2.099 ( 8.750 8.750 6.951) 14.193 2.197 ( 1.192 1.192 -1.081) 2.003 2.587 ( 5.557 5.557 5.867) 9.807 3.114 ( 1.486 1.486 -3.290) 3.904 4.145 ( -3.774 -3.774 4.604) 7.049 4.260 ( 0.649 0.649 -3.209) 3.337 4.410 ( -4.754 -4.754 3.899) 7.771 4.543 ( 1.194 1.194 0.249) 1.707 4.749 ( -0.467 -0.467 0.067) 0.663 5.022 ( -0.927 -0.927 -6.253) 6.389 5.712 ( 8.659 8.659 11.048) 16.493 6.208 ( 2.847 2.847 -3.250) 5.175 6.517 ( 5.583 5.583 2.964) 8.434 7.031 ( 7.522 7.522 -10.035) 14.624 7.535 ( 5.827 5.827 8.090) 11.548 7.682 ( -5.468 -5.468 3.236) 8.383 8.011 ( 0.172 0.172 -8.240) 8.243 8.254 ( 2.123 2.123 -14.584) 14.890 8.963 ( -2.556 -2.556 5.842) 6.870 9.277 ( 12.446 12.446 -0.296) 17.603 9.751 ( -5.184 -5.184 6.874) 10.049 9.865 ( -8.223 -8.223 16.693) 20.345 10.203 ( 1.920 1.920 17.306) 17.518 10.667 ( -9.515 -9.515 -6.093) 14.772 11.280 ( 8.237 8.237 -24.510) 27.138 11.551 ( 1.747 1.747 -17.639) 17.811 16.544 ( -3.228 -3.228 19.459) 19.988 17.190 ( 4.194 4.194 3.621) 6.949 17.541 ( -6.088 -6.088 0.111) 8.611 17.736 ( -7.225 -7.225 -2.878) 10.615 20.102 ( -3.009 -3.009 -0.043) 4.255 20.319 ( -9.868 -9.868 -8.215) 16.194 21.625 ( -1.619 -1.619 17.505) 17.654 22.619 ( 0.697 0.697 -15.713) 15.744 ======================= Grid point 267 (55/84) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 10.750 4.851 6.276) 13.360 1.885 ( 8.089 1.187 3.893) 9.055 2.207 ( 5.043 3.857 2.351) 6.770 2.351 ( 10.840 1.083 10.772) 15.320 2.670 ( 2.009 2.964 2.143) 4.173 3.158 ( 1.300 -2.090 0.087) 2.463 3.971 ( -10.465 -0.108 -1.054) 10.519 4.211 ( -5.993 4.104 -2.023) 7.540 4.408 ( 3.230 -2.091 0.403) 3.869 4.534 ( -0.189 -4.363 -1.526) 4.626 4.739 ( -0.332 1.320 3.019) 3.312 5.068 ( 3.347 1.717 -1.341) 3.994 5.918 ( 10.906 9.088 9.390) 17.021 6.269 ( 4.409 6.795 -1.224) 8.192 6.620 ( 2.986 6.366 4.478) 8.337 7.119 ( -0.688 9.478 -7.583) 12.157 7.562 ( -0.865 -4.048 5.066) 6.542 7.746 ( 10.214 -10.530 -0.169) 14.671 8.088 ( 6.906 -9.283 -5.894) 12.985 8.356 ( 6.713 -8.956 -10.222) 15.157 8.876 ( -4.625 -7.921 9.135) 12.945 9.442 ( -0.009 2.669 2.340) 3.550 9.615 ( -8.028 -6.556 0.469) 10.375 9.727 ( -2.083 -6.340 14.185) 15.676 10.230 ( 0.115 2.957 16.386) 16.652 10.469 ( -8.464 -7.727 -0.394) 11.468 11.412 ( 4.539 7.075 -23.085) 24.567 11.572 ( 0.208 2.662 -17.277) 17.482 16.509 ( 0.805 -8.106 19.351) 20.995 17.242 ( -3.647 3.587 -1.718) 5.396 17.429 ( -1.200 -7.331 1.410) 7.561 17.635 ( -2.569 -1.748 -4.281) 5.290 19.948 ( -9.228 9.690 -1.263) 13.440 20.158 ( -6.521 0.429 -7.169) 9.701 21.687 ( 6.688 -10.524 15.160) 19.629 22.549 ( -6.812 -3.251 -12.389) 14.507 ======================= Grid point 268 (56/84) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 9.218 0.453 3.756) 9.964 1.993 ( 2.364 -1.783 2.058) 3.606 2.362 ( 8.685 0.703 2.318) 9.017 2.573 ( 8.707 -0.974 11.485) 14.445 2.676 ( 0.693 0.472 0.443) 0.948 3.108 ( -7.153 -1.145 6.191) 9.529 3.812 ( -2.909 -2.022 -4.065) 5.393 4.042 ( -9.459 1.085 -2.694) 9.895 4.466 ( 2.627 0.190 -1.327) 2.949 4.569 ( 1.116 -2.400 -0.022) 2.646 4.773 ( 5.244 4.592 4.104) 8.089 5.077 ( -3.330 3.617 -0.265) 4.923 6.156 ( 11.810 7.846 8.106) 16.332 6.416 ( 8.451 8.216 -0.567) 11.800 6.613 ( -2.659 8.181 5.459) 10.188 6.984 ( -10.805 8.290 -4.884) 14.468 7.656 ( 8.729 -6.492 4.667) 11.837 7.909 ( 3.278 -11.567 -3.574) 12.543 8.271 ( 9.641 -14.942 -0.654) 17.794 8.476 ( 3.379 -15.715 -6.749) 17.433 8.835 ( 2.185 -16.123 8.416) 18.318 9.268 ( -13.033 -16.026 8.846) 22.471 9.498 ( -1.700 -4.291 -5.412) 7.113 9.708 ( -3.840 -6.893 0.552) 7.910 10.222 ( 0.721 4.505 14.590) 15.286 10.348 ( -3.712 1.852 10.393) 11.190 11.481 ( 2.492 5.871 -20.759) 21.717 11.561 ( -1.215 3.508 -17.624) 18.010 16.592 ( 7.143 -11.156 14.885) 19.926 17.045 ( -12.186 -8.729 3.409) 15.372 17.483 ( 3.733 1.078 -3.952) 5.542 17.602 ( -1.432 2.500 -4.772) 5.574 19.822 ( -1.955 14.939 -0.335) 15.070 20.010 ( -7.623 10.143 -4.735) 13.543 21.873 ( 10.718 -13.236 7.928) 18.786 22.359 ( -10.981 -7.567 -6.871) 15.002 ======================= Grid point 269 (57/84) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -4.088 -2.189 2.793) 5.413 1.977 ( 4.088 -2.189 2.793) 5.413 2.532 ( -7.118 -0.716 -0.581) 7.177 2.532 ( 7.118 -0.716 -0.581) 7.177 2.881 ( -13.125 -0.259 11.278) 17.306 2.881 ( 13.125 -0.259 11.278) 17.306 3.863 ( -6.740 -1.983 -4.598) 8.397 3.863 ( 6.740 -1.983 -4.598) 8.397 4.533 ( -3.396 -0.357 1.316) 3.659 4.533 ( 3.396 -0.357 1.316) 3.659 4.941 ( -8.842 5.446 0.616) 10.403 4.941 ( 8.842 5.446 0.616) 10.403 6.389 ( -9.674 7.319 7.383) 14.201 6.389 ( 9.674 7.319 7.383) 14.201 6.730 ( -12.445 8.502 -3.046) 15.377 6.730 ( 12.445 8.502 -3.046) 15.377 7.848 ( -7.957 -8.039 2.672) 11.622 7.848 ( 7.957 -8.039 2.672) 11.622 8.447 ( -6.190 -17.374 -3.690) 18.809 8.447 ( 6.190 -17.374 -3.690) 18.809 8.992 ( -12.101 -20.690 7.332) 25.065 8.992 ( 12.101 -20.690 7.332) 25.065 9.567 ( -7.332 -7.917 -5.053) 11.915 9.567 ( 7.332 -7.917 -5.053) 11.915 10.276 ( -3.553 6.181 14.519) 16.174 10.276 ( 3.553 6.181 14.519) 16.174 11.526 ( -1.981 4.613 -18.819) 19.477 11.526 ( 1.981 4.613 -18.819) 19.477 16.791 ( -11.521 -11.884 9.040) 18.860 16.791 ( 11.521 -11.884 9.040) 18.860 17.555 ( -3.051 3.122 -5.236) 6.817 17.555 ( 3.051 3.122 -5.236) 6.817 19.866 ( -5.434 15.045 -1.676) 16.084 19.866 ( 5.434 15.045 -1.676) 16.084 22.115 ( -12.153 -11.449 0.039) 16.697 22.115 ( 12.153 -11.449 0.039) 16.697 ======================= Grid point 278 (58/84) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 5.931 5.931 5.488) 10.024 1.919 ( 2.466 2.466 0.260) 3.497 2.257 ( 2.699 2.699 5.637) 6.808 2.450 ( 6.916 6.916 13.063) 16.318 2.699 ( -0.326 -0.326 -2.952) 2.988 3.133 ( -0.417 -0.417 -1.559) 1.666 3.888 ( -7.288 -7.288 -3.904) 11.021 4.200 ( -7.325 -7.325 -4.782) 11.409 4.409 ( 2.323 2.323 1.236) 3.509 4.481 ( 0.454 0.454 5.691) 5.727 4.781 ( 4.046 4.046 2.808) 6.374 5.152 ( 4.424 4.424 -1.306) 6.392 6.125 ( 10.357 10.357 9.909) 17.684 6.392 ( 6.351 6.351 0.046) 8.981 6.767 ( 6.553 6.553 4.782) 10.429 7.317 ( 4.879 4.879 -5.789) 9.007 7.437 ( -5.241 -5.241 -0.478) 7.428 7.571 ( -3.857 -3.857 0.128) 5.456 7.970 ( -1.809 -1.809 -3.760) 4.548 8.245 ( -2.648 -2.648 -8.150) 8.969 8.690 ( -9.320 -9.320 11.582) 17.546 9.236 ( -16.917 -16.917 10.168) 25.995 9.496 ( -7.457 -7.457 -3.293) 11.049 9.653 ( -2.741 -2.741 -4.951) 6.287 10.269 ( 1.623 1.623 16.383) 16.543 10.404 ( 0.878 0.878 11.062) 11.132 11.522 ( 3.548 3.548 -21.177) 21.764 11.608 ( 0.814 0.814 -16.864) 16.903 16.385 ( -3.072 -3.072 21.717) 22.148 17.114 ( -13.317 -13.317 9.040) 20.890 17.426 ( 5.105 5.105 -7.786) 10.617 17.640 ( 1.241 1.241 -4.921) 5.224 20.107 ( 3.428 3.428 -4.318) 6.492 20.181 ( 3.744 3.744 -8.760) 10.236 21.547 ( -2.529 -2.529 17.100) 17.469 22.399 ( -10.714 -10.714 -10.892) 18.661 ======================= Grid point 279 (59/84) ======================= q-point: ( 0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 5.000 1.036 3.684) 6.297 1.975 ( 1.471 1.285 -0.474) 2.010 2.343 ( 5.675 -2.317 2.840) 6.756 2.586 ( 1.292 0.284 11.897) 11.971 2.694 ( 5.048 2.604 -3.602) 6.726 3.103 ( -4.218 1.095 0.826) 4.435 3.743 ( -4.197 -5.281 -4.112) 7.900 3.984 ( -11.590 -6.927 -4.548) 14.248 4.459 ( 2.266 -0.260 5.615) 6.060 4.505 ( 0.720 -2.852 10.872) 11.263 4.920 ( 8.519 8.605 -2.250) 12.316 5.189 ( -1.514 5.741 -3.200) 6.745 6.344 ( 10.979 9.749 7.806) 16.629 6.558 ( 8.759 6.747 -0.567) 11.071 6.827 ( -1.559 10.759 4.121) 11.626 7.143 ( -12.433 6.025 -3.058) 14.150 7.494 ( 5.626 -10.530 -0.301) 11.943 7.647 ( 6.916 -9.221 -1.776) 11.662 7.995 ( 3.269 -12.368 -1.787) 12.917 8.196 ( -3.048 -10.648 -5.948) 12.572 8.526 ( -4.963 -13.157 12.382) 18.736 8.863 ( -17.490 -21.133 10.438) 29.351 9.376 ( -2.665 -6.778 -7.024) 10.118 9.544 ( -7.029 -7.757 -9.485) 14.127 10.331 ( 3.923 5.505 16.903) 18.205 10.427 ( 0.315 4.294 14.907) 15.517 11.571 ( 1.490 2.802 -19.159) 19.420 11.610 ( -0.432 1.332 -16.888) 16.946 16.398 ( 4.376 -6.896 20.908) 22.447 16.821 ( -14.039 -12.007 14.047) 23.208 17.531 ( 4.749 3.167 -8.835) 10.518 17.655 ( -0.356 2.272 -6.477) 6.873 20.147 ( 2.373 14.829 -3.511) 15.423 20.248 ( 0.736 13.623 -6.891) 15.284 21.596 ( 7.278 -12.960 10.553) 18.229 22.130 ( -14.604 -14.194 -6.506) 21.379 ======================= Grid point 280 (60/84) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -3.816 0.174 1.623) 4.151 1.946 ( 3.816 0.174 1.623) 4.151 2.485 ( -7.246 -3.857 0.143) 8.210 2.485 ( 7.246 -3.857 0.143) 8.210 2.921 ( -12.215 4.198 5.188) 13.920 2.921 ( 12.215 4.198 5.188) 13.920 3.778 ( -7.062 -6.693 -4.323) 10.647 3.778 ( 7.062 -6.693 -4.323) 10.647 4.498 ( -1.319 -2.163 9.893) 10.212 4.498 ( 1.319 -2.163 9.893) 10.212 5.092 ( -7.249 7.899 -4.078) 11.470 5.092 ( 7.249 7.899 -4.078) 11.470 6.570 ( -9.203 9.678 5.249) 14.350 6.570 ( 9.203 9.678 5.249) 14.350 6.891 ( -10.707 6.223 -3.216) 12.795 6.891 ( 10.707 6.223 -3.216) 12.795 7.653 ( -6.699 -9.819 2.287) 12.105 7.653 ( 6.699 -9.819 2.287) 12.105 8.096 ( -6.114 -15.644 -4.975) 17.517 8.096 ( 6.114 -15.644 -4.975) 17.517 8.568 ( -9.469 -18.610 11.570) 23.872 8.568 ( 9.469 -18.610 11.570) 23.872 9.406 ( -5.082 -7.174 -9.119) 12.667 9.406 ( 5.082 -7.174 -9.119) 12.667 10.404 ( -2.569 5.590 16.043) 17.183 10.404 ( 2.569 5.591 16.043) 17.183 11.595 ( -0.962 2.032 -17.640) 17.783 11.595 ( 0.962 2.032 -17.640) 17.783 16.558 ( -10.708 -10.053 18.138) 23.339 16.558 ( 10.708 -10.053 18.138) 23.339 17.617 ( -3.222 2.664 -8.140) 9.151 17.617 ( 3.222 2.664 -8.140) 9.151 20.213 ( -3.303 18.144 -3.665) 18.803 20.213 ( 3.303 18.144 -3.665) 18.803 21.826 ( -13.843 -16.207 0.759) 21.327 21.826 ( 13.843 -16.207 0.759) 21.327 ======================= Grid point 290 (61/84) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 4.288 4.288 2.698) 6.637 2.049 ( 3.661 3.661 -2.236) 5.640 2.289 ( -1.242 -1.242 3.025) 3.498 2.521 ( -5.892 -5.892 1.309) 8.435 2.830 ( 9.622 9.622 3.258) 13.992 3.136 ( 0.676 0.676 -0.285) 0.998 3.604 ( -6.415 -6.415 -3.887) 9.870 3.783 ( -11.126 -11.126 -4.112) 16.263 4.461 ( 0.256 0.256 11.440) 11.446 4.470 ( -0.671 -0.671 15.987) 16.015 5.097 ( 7.941 7.941 -6.659) 13.057 5.267 ( 1.129 1.129 -6.780) 6.965 6.545 ( 9.798 9.798 3.925) 14.402 6.717 ( 8.309 8.309 -2.923) 12.109 6.967 ( -0.706 -0.706 1.126) 1.504 7.173 ( -7.642 -7.642 -5.689) 12.213 7.300 ( 2.050 2.050 2.621) 3.908 7.609 ( 2.393 2.393 -0.177) 3.389 7.787 ( -6.656 -6.656 -1.230) 9.492 7.998 ( -9.031 -9.031 -5.367) 13.854 8.306 ( -7.456 -7.456 16.396) 19.494 8.465 ( -15.558 -15.558 14.371) 26.279 9.270 ( -2.483 -2.483 -9.961) 10.562 9.394 ( -6.626 -6.626 -10.951) 14.413 10.434 ( 4.168 4.168 16.350) 17.380 10.494 ( 1.776 1.776 15.363) 15.567 11.606 ( 0.911 0.911 -17.623) 17.670 11.623 ( 0.044 0.044 -16.378) 16.378 16.323 ( -0.110 -0.110 24.149) 24.149 16.577 ( -10.900 -10.900 21.158) 26.177 17.601 ( 3.334 3.334 -11.394) 12.331 17.683 ( 0.183 0.183 -9.288) 9.292 20.411 ( 11.460 11.460 -2.202) 16.355 20.548 ( 11.955 11.955 -7.885) 18.655 21.378 ( -5.987 -5.987 9.456) 12.693 21.793 ( -17.564 -17.564 -4.538) 25.250 ======================= Grid point 291 (62/84) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -5.794 6.594 0.651) 8.802 2.015 ( 5.794 6.594 0.651) 8.802 2.371 ( -7.626 -7.098 0.065) 10.418 2.371 ( 7.626 -7.098 0.065) 10.418 3.046 ( -9.466 7.558 2.215) 12.314 3.046 ( 9.466 7.558 2.214) 12.314 3.588 ( -5.845 -10.840 -3.900) 12.918 3.588 ( 5.845 -10.840 -3.900) 12.918 4.465 ( -0.132 -0.957 15.307) 15.337 4.465 ( 0.132 -0.957 15.307) 15.337 5.230 ( -4.473 4.838 -8.125) 10.461 5.230 ( 4.473 4.838 -8.125) 10.461 6.754 ( -9.098 7.245 -0.384) 11.636 6.754 ( 9.098 7.245 -0.384) 11.636 6.966 ( -8.615 0.582 -4.838) 9.898 6.966 ( 8.615 0.582 -4.838) 9.898 7.501 ( -11.539 -3.300 3.347) 12.460 7.501 ( 11.539 -3.300 3.347) 12.460 7.825 ( -7.512 -10.096 -4.156) 13.252 7.825 ( 7.512 -10.096 -4.156) 13.252 8.259 ( -3.817 -10.667 17.786) 21.087 8.259 ( 3.817 -10.667 17.786) 21.087 9.284 ( -3.482 -4.347 -11.114) 12.431 9.284 ( 3.482 -4.347 -11.114) 12.431 10.496 ( -1.576 3.122 15.579) 15.967 10.496 ( 1.576 3.122 15.579) 15.967 11.618 ( -0.387 0.456 -16.579) 16.590 11.618 ( 0.387 0.456 -16.579) 16.590 16.392 ( -6.478 -5.686 24.380) 25.858 16.392 ( 6.478 -5.686 24.380) 25.858 17.661 ( -2.176 1.495 -11.458) 11.759 17.661 ( 2.176 1.495 -11.458) 11.759 20.610 ( -5.886 20.024 -2.724) 21.048 20.610 ( 5.886 20.024 -2.724) 21.048 21.453 ( -12.889 -19.371 0.693) 23.277 21.453 ( 12.889 -19.371 0.693) 23.277 ======================= Grid point 307 (63/84) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 0.000 0.000 -0.904) 0.904 2.172 ( 0.000 0.000 -0.904) 0.904 2.215 ( -0.000 -0.000 1.094) 1.094 2.215 ( -0.000 -0.000 1.094) 1.094 3.173 ( -0.000 -0.000 2.884) 2.884 3.173 ( 0.000 0.000 2.884) 2.884 3.420 ( 0.000 0.000 -5.081) 5.081 3.420 ( 0.000 0.000 -5.081) 5.081 4.456 ( 0.000 0.000 16.946) 16.946 4.456 ( 0.000 0.000 16.946) 16.946 5.281 ( 0.000 0.000 -9.568) 9.568 5.281 ( 0.000 0.000 -9.568) 9.568 6.847 ( -0.000 -0.000 -6.097) 6.097 6.847 ( 0.000 0.000 -6.097) 6.097 6.940 ( 0.000 0.000 -3.941) 3.941 6.940 ( 0.000 0.000 -3.941) 3.941 7.502 ( -0.000 -0.000 2.456) 2.456 7.502 ( 0.000 0.000 2.456) 2.456 7.700 ( 0.000 0.000 -1.019) 1.019 7.700 ( 0.000 0.000 -1.019) 1.019 8.145 ( 0.000 0.000 20.717) 20.717 8.145 ( 0.000 0.000 20.717) 20.717 9.237 ( 0.000 0.000 -11.779) 11.779 9.237 ( 0.000 0.000 -11.779) 11.779 10.529 ( 0.000 0.000 15.212) 15.212 10.529 ( 0.000 0.000 15.212) 15.212 11.622 ( 0.000 0.000 -16.132) 16.132 11.622 ( 0.000 0.000 -16.132) 16.132 16.331 ( 0.000 0.000 26.586) 26.586 16.331 ( 0.000 0.000 26.586) 26.586 17.676 ( 0.000 0.000 -12.969) 12.969 17.676 ( 0.000 0.000 -12.969) 12.969 21.021 ( -0.000 -0.000 -0.327) 0.327 21.021 ( 0.000 0.000 -0.327) 0.327 21.049 ( 0.000 0.000 -0.994) 0.994 21.049 ( 0.000 0.000 -0.994) 0.994 ======================= Grid point 363 (64/84) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 0.000 18.749) 18.749 1.466 ( 0.000 0.000 28.201) 28.201 1.556 ( 0.000 0.000 -14.166) 14.166 1.910 ( 0.000 0.000 -8.615) 8.615 2.409 ( 0.000 0.000 2.792) 2.792 2.675 ( -0.000 -0.000 -17.086) 17.086 3.901 ( 0.000 0.000 4.274) 4.274 3.979 ( 0.000 0.000 -3.598) 3.598 4.851 ( 0.000 0.000 9.013) 9.013 5.019 ( 0.000 0.000 -7.971) 7.971 5.147 ( 0.000 0.000 12.984) 12.984 5.330 ( -0.000 -0.000 -5.939) 5.939 5.634 ( 0.000 0.000 13.885) 13.885 5.850 ( 0.000 0.000 -8.675) 8.675 6.284 ( 0.000 0.000 1.725) 1.725 6.324 ( 0.000 0.000 -2.798) 2.798 6.867 ( 0.000 0.000 16.934) 16.934 7.240 ( 0.000 0.000 -21.113) 21.113 8.006 ( 0.000 0.000 4.537) 4.537 8.153 ( 0.000 0.000 -10.570) 10.570 8.221 ( -0.000 -0.000 11.173) 11.173 8.474 ( -0.000 -0.000 -15.180) 15.180 10.263 ( -0.000 -0.000 11.949) 11.949 10.452 ( 0.000 0.000 -7.998) 7.998 10.504 ( 0.000 0.000 16.471) 16.471 10.617 ( -0.000 -0.000 22.265) 22.265 10.802 ( 0.000 0.000 -13.949) 13.949 11.061 ( 0.000 0.000 -23.264) 23.264 16.832 ( 0.000 0.000 20.907) 20.907 17.219 ( 0.000 0.000 -18.859) 18.859 18.067 ( 0.000 0.000 0.596) 0.596 18.069 ( -0.000 -0.000 0.376) 0.376 21.291 ( 0.000 0.000 0.026) 0.026 21.296 ( 0.000 0.000 -0.491) 0.491 21.470 ( 0.000 0.000 3.706) 3.706 21.546 ( 0.000 0.000 -4.089) 4.089 ======================= Grid point 364 (65/84) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 9.298 0.000 16.778) 19.182 1.463 ( 2.566 0.000 19.193) 19.364 1.676 ( 8.548 0.000 -9.156) 12.527 1.902 ( -0.541 0.000 -12.225) 12.237 2.471 ( 6.756 0.000 10.858) 12.788 2.770 ( 8.792 0.000 -16.071) 18.319 4.001 ( 8.531 0.000 4.081) 9.457 4.089 ( 9.424 0.000 -4.490) 10.439 4.730 ( -11.757 0.000 6.227) 13.304 4.825 ( -15.102 0.000 -3.491) 15.500 5.056 ( -5.809 0.000 11.960) 13.296 5.228 ( -7.112 0.000 -5.206) 8.814 5.668 ( 0.903 0.000 12.006) 12.040 5.878 ( 0.163 0.000 -9.591) 9.592 6.349 ( 6.988 0.000 4.907) 8.538 6.463 ( 10.858 0.000 -6.606) 12.710 7.112 ( 20.484 0.000 13.752) 24.672 7.430 ( 15.599 0.000 -18.533) 24.223 8.024 ( 3.423 0.000 4.167) 5.393 8.092 ( 0.532 0.000 0.001) 0.532 8.430 ( 13.527 0.000 -1.595) 13.621 8.554 ( 6.887 0.000 -11.906) 13.755 10.235 ( -2.511 0.000 12.957) 13.198 10.422 ( -1.911 0.000 -2.974) 3.535 10.474 ( -2.935 0.000 16.467) 16.727 10.655 ( 2.159 0.000 12.801) 12.981 10.790 ( -0.821 0.000 -12.299) 12.326 11.070 ( 0.796 0.000 -22.627) 22.641 16.841 ( 0.824 0.000 18.865) 18.883 17.180 ( -3.319 0.000 -15.597) 15.946 17.989 ( -6.612 0.000 3.211) 7.351 18.035 ( -3.718 0.000 -1.665) 4.074 20.791 ( -27.807 0.000 8.294) 29.018 20.924 ( -23.914 0.000 -5.719) 24.589 21.821 ( 14.490 0.000 0.136) 14.490 21.851 ( 17.798 0.000 -3.505) 18.140 ======================= Grid point 365 (66/84) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 7.511 0.000 15.526) 17.247 1.648 ( 14.419 0.000 10.057) 17.580 1.850 ( 5.596 0.000 -8.823) 10.448 1.964 ( 10.560 0.000 -13.553) 17.182 2.687 ( 12.932 0.000 19.027) 23.006 3.006 ( 12.834 0.000 -12.865) 18.172 4.157 ( 1.893 0.000 5.605) 5.916 4.269 ( 2.531 0.000 -4.855) 5.476 4.439 ( -10.065 0.000 4.964) 11.222 4.532 ( -10.385 0.000 -5.612) 11.805 4.961 ( -3.831 0.000 10.719) 11.383 5.103 ( -3.599 0.000 -3.430) 4.972 5.683 ( 2.133 0.000 5.753) 6.136 5.827 ( -3.721 0.000 -8.950) 9.693 6.532 ( 8.968 0.000 7.924) 11.967 6.691 ( 9.417 0.000 -8.037) 12.380 7.539 ( 16.647 0.000 7.303) 18.178 7.703 ( 8.233 0.000 -7.854) 11.378 8.222 ( 16.337 0.000 4.229) 16.875 8.284 ( 19.522 0.000 -2.309) 19.658 8.708 ( 11.689 0.000 -4.739) 12.613 8.727 ( 9.638 0.000 -6.372) 11.554 10.167 ( -3.893 0.000 15.387) 15.871 10.372 ( -4.432 0.000 7.221) 8.473 10.406 ( -1.989 0.000 8.012) 8.255 10.645 ( -3.509 0.000 -4.774) 5.925 10.797 ( 1.554 0.000 -3.270) 3.620 11.083 ( 0.184 0.000 -21.401) 21.402 16.862 ( 1.115 0.000 14.228) 14.272 17.109 ( -2.721 0.000 -10.415) 10.765 17.814 ( -9.551 0.000 6.606) 11.613 17.919 ( -7.303 0.000 -4.153) 8.401 20.252 ( -23.370 0.000 9.985) 25.413 20.426 ( -22.952 0.000 -7.964) 24.294 22.067 ( 9.341 0.000 2.128) 9.580 22.138 ( 10.080 0.000 -5.433) 11.450 ======================= Grid point 366 (67/84) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 11.411 0.000 10.101) 15.239 1.879 ( 8.004 0.000 -3.946) 8.924 2.060 ( 14.500 0.000 5.113) 15.375 2.239 ( 13.016 0.000 -11.412) 17.311 2.960 ( 12.546 0.000 21.288) 24.710 3.258 ( 10.342 0.000 -7.608) 12.839 3.959 ( -13.878 0.000 6.634) 15.382 4.091 ( -13.660 0.000 -6.755) 15.239 4.399 ( 0.838 0.000 2.799) 2.921 4.497 ( 0.754 0.000 -7.237) 7.277 4.875 ( -4.113 0.000 11.578) 12.286 5.071 ( -2.149 0.000 -7.704) 7.998 5.804 ( 8.422 0.000 -0.203) 8.425 5.828 ( 7.748 0.000 -2.622) 8.180 6.662 ( 2.524 0.000 7.981) 8.370 6.799 ( 0.181 0.000 -6.076) 6.079 7.763 ( 7.249 0.000 5.203) 8.923 7.857 ( 8.371 0.000 -4.943) 9.721 8.653 ( 20.763 0.000 5.633) 21.514 8.760 ( 19.241 0.000 -5.562) 20.029 8.886 ( 10.445 0.000 1.709) 10.583 8.956 ( 12.291 0.000 -5.224) 13.355 10.084 ( -3.820 0.000 19.631) 19.999 10.257 ( -5.845 0.000 13.764) 14.953 10.368 ( -2.709 0.000 1.705) 3.201 10.528 ( -7.485 0.000 -11.184) 13.457 10.830 ( 1.509 0.000 -5.112) 5.330 11.069 ( -1.660 0.000 -20.506) 20.573 16.891 ( 1.984 0.000 9.851) 10.049 17.081 ( -0.103 0.000 -9.158) 9.159 17.619 ( -8.786 0.000 7.119) 11.308 17.741 ( -9.586 0.000 -5.198) 10.905 19.842 ( -15.754 0.000 9.032) 18.159 20.005 ( -17.239 0.000 -7.280) 18.713 22.217 ( 5.338 0.000 2.462) 5.878 22.286 ( 4.551 0.000 -4.650) 6.506 ======================= Grid point 367 (68/84) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 11.214 0.000 6.519) 12.971 2.050 ( 7.708 0.000 -1.039) 7.778 2.322 ( 9.546 0.000 3.047) 10.021 2.439 ( 5.216 0.000 -8.141) 9.669 3.181 ( 8.326 0.000 21.173) 22.751 3.379 ( 0.337 0.000 5.943) 5.952 3.745 ( -5.276 0.000 -2.836) 5.990 3.837 ( -9.407 0.000 -10.292) 13.944 4.416 ( 1.147 0.000 2.009) 2.314 4.484 ( -1.266 0.000 -4.840) 5.003 4.805 ( -2.099 0.000 6.824) 7.139 4.960 ( -7.458 0.000 -8.659) 11.428 6.050 ( 15.444 0.000 3.279) 15.788 6.109 ( 15.909 0.000 -2.301) 16.074 6.614 ( -7.061 0.000 5.579) 8.999 6.696 ( -9.444 0.000 -3.274) 9.996 7.925 ( 8.464 0.000 5.736) 10.224 8.025 ( 6.509 0.000 -4.818) 8.098 8.843 ( -1.325 0.000 1.129) 1.741 8.879 ( 1.323 0.000 -2.183) 2.552 9.296 ( 21.199 0.000 4.032) 21.579 9.368 ( 23.942 0.000 -2.863) 24.113 9.996 ( -6.361 0.000 21.549) 22.468 10.145 ( -5.142 0.000 13.352) 14.308 10.265 ( -6.965 0.000 0.349) 6.974 10.362 ( -6.937 0.000 -5.086) 8.602 10.867 ( 2.362 0.000 -12.696) 12.914 11.014 ( -3.521 0.000 -20.011) 20.318 16.957 ( 4.398 0.000 4.937) 6.612 17.087 ( 0.044 0.000 -8.360) 8.360 17.466 ( -5.467 0.000 3.834) 6.677 17.543 ( -8.694 0.000 -3.997) 9.569 19.612 ( -6.235 0.000 7.000) 9.374 19.719 ( -10.304 0.000 -3.600) 10.915 22.299 ( 2.823 0.000 1.435) 3.166 22.341 ( 1.066 0.000 -2.781) 2.978 ======================= Grid point 368 (69/84) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -2.344 0.000 3.700) 4.380 2.122 ( 2.344 0.000 3.700) 4.380 2.451 ( -3.259 0.000 -3.177) 4.551 2.451 ( 3.259 0.000 -3.177) 4.551 3.313 ( -5.011 0.000 18.083) 18.765 3.313 ( 5.011 0.000 18.083) 18.765 3.723 ( -2.089 0.000 -11.000) 11.197 3.723 ( 2.089 0.000 -11.000) 11.197 4.452 ( -1.936 0.000 -0.655) 2.044 4.452 ( 1.936 0.000 -0.655) 2.044 4.824 ( -4.365 0.000 -2.282) 4.926 4.824 ( 4.365 0.000 -2.282) 4.926 6.365 ( -9.781 0.000 4.866) 10.925 6.365 ( 9.781 0.000 4.866) 10.925 6.451 ( -9.808 0.000 -2.762) 10.190 6.451 ( 9.808 0.000 -2.762) 10.190 8.066 ( -3.331 0.000 1.652) 3.718 8.066 ( 3.331 0.000 1.652) 3.718 8.842 ( -2.168 0.000 -2.446) 3.269 8.842 ( 2.168 0.000 -2.446) 3.269 9.663 ( -8.757 0.000 7.443) 11.493 9.663 ( 8.757 0.000 7.443) 11.493 9.917 ( -11.543 0.000 3.808) 12.155 9.917 ( 11.543 0.000 3.808) 12.155 10.250 ( -4.140 0.000 7.855) 8.880 10.250 ( 4.140 0.000 7.855) 8.880 10.934 ( -3.884 0.000 -18.361) 18.767 10.934 ( 3.884 0.000 -18.361) 18.767 17.052 ( -3.804 0.000 -2.310) 4.451 17.052 ( 3.804 0.000 -2.310) 4.451 17.423 ( -1.984 0.000 -0.911) 2.183 17.423 ( 1.984 0.000 -0.911) 2.183 19.580 ( -2.849 0.000 2.192) 3.595 19.580 ( 2.849 0.000 2.192) 3.595 22.339 ( -1.062 0.000 -0.536) 1.190 22.339 ( 1.062 0.000 -0.536) 1.190 ======================= Grid point 375 (70/84) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 6.493 6.493 16.589) 18.961 1.499 ( 4.980 4.980 15.975) 17.459 1.764 ( 7.642 7.642 -9.606) 14.459 1.899 ( 0.135 0.135 -12.494) 12.496 2.546 ( 6.901 6.901 12.886) 16.164 2.823 ( 5.573 5.573 -13.526) 15.655 4.089 ( 7.220 7.220 4.058) 10.988 4.186 ( 7.953 7.953 -5.285) 12.427 4.652 ( -8.052 -8.052 5.485) 12.639 4.718 ( -9.221 -9.221 -1.441) 13.120 4.955 ( -6.772 -6.772 9.115) 13.222 5.111 ( -8.025 -8.025 -5.803) 12.747 5.720 ( 2.942 2.942 12.695) 13.359 5.934 ( 3.046 3.046 -9.435) 10.372 6.397 ( 4.940 4.940 5.670) 8.998 6.536 ( 6.946 6.946 -8.292) 12.855 7.276 ( 14.157 14.157 12.586) 23.649 7.564 ( 11.341 11.341 -16.902) 23.300 7.967 ( -3.121 -3.121 4.357) 6.202 8.034 ( -2.034 -2.034 -1.879) 3.436 8.624 ( 14.233 14.233 -2.792) 20.321 8.681 ( 10.420 10.420 -7.849) 16.697 10.202 ( -2.927 -2.927 14.126) 14.720 10.377 ( -3.426 -3.426 3.598) 6.035 10.466 ( -1.008 -1.008 11.324) 11.413 10.689 ( 1.290 1.290 3.028) 3.536 10.769 ( -0.619 -0.619 -6.876) 6.932 11.089 ( 1.501 1.501 -22.094) 22.196 16.853 ( 1.093 1.093 17.483) 17.551 17.159 ( -1.822 -1.822 -13.276) 13.524 17.909 ( -7.054 -7.054 4.570) 10.973 17.978 ( -5.215 -5.215 -2.662) 7.841 20.594 ( -16.074 -16.074 8.167) 24.155 20.737 ( -15.993 -15.993 -6.969) 23.666 21.844 ( 5.783 5.783 9.384) 12.448 22.044 ( 10.969 10.969 -11.706) 19.434 ======================= Grid point 376 (71/84) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 6.568 2.573 15.013) 16.588 1.704 ( 11.876 4.384 6.330) 14.153 1.907 ( 5.290 5.380 -7.037) 10.318 2.006 ( 12.184 4.175 -10.323) 16.506 2.733 ( 10.261 4.054 16.643) 19.968 2.997 ( 10.302 -0.061 -10.100) 14.428 4.192 ( -2.019 2.115 4.329) 5.224 4.274 ( -4.820 -1.516 -3.122) 5.940 4.480 ( -2.320 4.470 2.358) 5.561 4.527 ( -6.726 -0.547 -2.773) 7.296 4.861 ( -1.734 -6.579 7.465) 10.100 4.993 ( -2.167 -8.189 -5.685) 10.202 5.766 ( 2.608 7.200 9.920) 12.532 5.953 ( -0.614 8.729 -9.069) 12.602 6.546 ( 8.342 1.886 7.861) 11.617 6.716 ( 8.803 2.864 -9.222) 13.067 7.588 ( 12.604 4.687 8.323) 15.814 7.746 ( 3.330 3.880 -5.863) 7.780 8.041 ( 11.526 -12.293 0.789) 16.870 8.105 ( 11.844 -10.863 -5.683) 17.047 8.902 ( 10.114 11.347 -1.453) 15.270 8.924 ( 13.038 14.268 -3.727) 19.684 10.125 ( -4.438 -3.959 16.332) 17.381 10.285 ( -5.574 -6.341 8.358) 11.880 10.441 ( -1.251 2.498 6.771) 7.325 10.637 ( -4.706 -3.142 -10.910) 12.290 10.816 ( 3.450 3.586 0.998) 5.075 11.118 ( 1.047 2.769 -21.165) 21.371 16.878 ( 1.051 1.188 14.443) 14.530 17.118 ( -1.748 0.794 -9.339) 9.534 17.735 ( -8.861 -6.798 6.066) 12.710 17.838 ( -7.833 -7.200 -4.338) 11.489 20.222 ( -18.362 -2.988 7.287) 19.980 20.362 ( -18.367 -6.091 -7.225) 20.656 21.991 ( 7.177 -3.267 11.636) 14.056 22.232 ( 6.653 4.833 -13.465) 15.777 ======================= Grid point 377 (72/84) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 10.435 0.950 10.089) 14.545 1.889 ( 7.245 0.679 -4.927) 8.788 2.121 ( 13.160 5.247 5.110) 15.060 2.277 ( 12.243 3.295 -9.223) 15.679 2.938 ( 8.879 -1.942 19.051) 21.108 3.203 ( 8.385 -4.558 -7.168) 11.936 3.979 ( -12.545 1.111 5.018) 13.557 4.088 ( -11.110 -0.033 -5.453) 12.376 4.437 ( -1.527 2.356 1.493) 3.180 4.501 ( -0.462 0.354 -4.925) 4.959 4.855 ( -0.077 -0.986 9.041) 9.095 5.010 ( 1.348 -3.504 -6.532) 7.534 5.879 ( 8.865 7.884 4.854) 12.818 5.981 ( 5.214 11.016 -5.551) 13.392 6.679 ( 3.010 1.855 8.271) 8.995 6.832 ( 0.996 3.333 -7.344) 8.126 7.740 ( 4.843 -2.286 5.468) 7.654 7.835 ( 6.495 -2.407 -4.373) 8.191 8.362 ( 17.564 -18.112 3.291) 25.443 8.461 ( 17.751 -17.240 -6.800) 25.662 9.058 ( 6.033 5.232 4.645) 9.239 9.161 ( 9.336 10.996 -5.562) 15.460 10.012 ( -6.847 -7.585 16.705) 19.583 10.154 ( -6.691 -8.363 8.737) 13.822 10.398 ( -3.228 3.198 4.580) 6.451 10.545 ( -3.433 0.657 -4.244) 5.499 10.880 ( 2.695 5.357 -6.171) 8.605 11.122 ( -0.861 3.996 -20.568) 20.971 16.899 ( 1.326 0.187 11.483) 11.561 17.093 ( -0.763 1.335 -8.055) 8.200 17.570 ( -6.693 -4.073 4.918) 9.250 17.669 ( -8.174 -6.279 -4.749) 11.349 19.878 ( -13.903 3.157 7.115) 15.934 20.017 ( -14.417 0.981 -6.956) 16.037 22.122 ( 5.347 -6.407 9.557) 12.688 22.319 ( 1.962 0.562 -10.779) 10.970 ======================= Grid point 378 (73/84) ======================= q-point: ( 0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 10.359 -1.118 6.632) 12.351 2.044 ( 6.801 -0.901 -1.872) 7.111 2.349 ( 7.817 2.147 2.929) 8.619 2.458 ( 4.223 1.691 -7.506) 8.777 3.100 ( 7.388 -6.524 19.176) 21.561 3.307 ( 1.166 -6.466 1.096) 6.661 3.771 ( -6.574 1.323 -0.374) 6.716 3.872 ( -9.063 3.298 -7.936) 12.490 4.435 ( 1.575 1.836 1.746) 2.983 4.497 ( 0.427 1.470 -4.331) 4.593 4.836 ( -1.106 2.597 6.980) 7.530 4.973 ( -4.800 1.395 -6.598) 8.278 6.124 ( 14.031 6.384 3.848) 15.888 6.189 ( 13.512 7.411 -2.642) 15.636 6.643 ( -6.387 2.854 6.238) 9.372 6.743 ( -8.923 4.500 -4.398) 10.918 7.880 ( 8.299 -4.361 5.588) 10.914 7.981 ( 6.280 -4.377 -4.960) 9.121 8.651 ( 7.602 -16.656 2.198) 18.440 8.701 ( 4.526 -14.148 -3.040) 15.163 9.243 ( 12.683 -7.559 5.336) 15.699 9.352 ( 11.810 -0.458 -5.211) 12.916 9.822 ( -11.469 -14.205 12.870) 22.337 9.987 ( -10.886 -12.956 0.174) 16.923 10.353 ( 0.469 8.067 11.855) 14.347 10.487 ( -2.900 7.706 8.123) 11.567 10.936 ( 2.963 6.141 -14.532) 16.052 11.081 ( -2.985 5.086 -20.384) 21.220 16.946 ( 3.292 -1.569 7.118) 7.998 17.074 ( -1.420 -0.776 -5.937) 6.153 17.462 ( -3.564 -0.537 1.181) 3.792 17.513 ( -6.297 -2.327 -3.618) 7.626 19.673 ( -5.510 5.768 5.835) 9.883 19.773 ( -9.075 5.038 -4.134) 11.172 22.215 ( 3.793 -6.773 5.150) 9.316 22.324 ( -1.124 -2.875 -6.044) 6.787 ======================= Grid point 379 (74/84) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -2.762 -2.123 3.534) 4.962 2.100 ( 2.762 -2.123 3.534) 4.962 2.456 ( -3.217 0.438 -3.506) 4.778 2.456 ( 3.217 0.438 -3.506) 4.778 3.249 ( -6.130 -5.830 14.494) 16.782 3.249 ( 6.130 -5.830 14.494) 16.782 3.736 ( -3.243 1.347 -8.505) 9.202 3.736 ( 3.243 1.347 -8.505) 9.202 4.486 ( -2.211 3.215 -0.071) 3.903 4.486 ( 2.211 3.215 -0.071) 3.903 4.862 ( -4.241 3.216 -1.173) 5.450 4.862 ( 4.241 3.216 -1.173) 5.450 6.403 ( -8.012 3.586 4.661) 9.938 6.403 ( 8.012 3.586 4.661) 9.938 6.513 ( -8.737 5.773 -2.708) 10.817 6.513 ( 8.737 5.773 -2.708) 10.817 8.022 ( -3.372 -4.225 1.539) 5.620 8.022 ( 3.372 -4.225 1.539) 5.620 8.715 ( -1.666 -11.880 -1.913) 12.148 8.715 ( 1.666 -11.880 -1.913) 12.148 9.526 ( -12.312 -13.289 10.138) 20.760 9.526 ( 12.312 -13.289 10.138) 20.760 9.697 ( -14.641 -14.303 -5.705) 21.249 9.697 ( 14.641 -14.304 -5.705) 21.249 10.412 ( -4.062 10.519 14.810) 18.614 10.412 ( 4.062 10.519 14.810) 18.614 11.007 ( -3.806 5.925 -19.331) 20.574 11.007 ( 3.806 5.925 -19.331) 20.574 17.023 ( -3.516 -2.610 0.323) 4.391 17.023 ( 3.516 -2.610 0.323) 4.391 17.433 ( -1.103 0.785 -2.020) 2.432 17.433 ( 1.103 0.785 -2.020) 2.432 19.648 ( -2.734 6.444 1.270) 7.114 19.648 ( 2.734 6.444 1.270) 7.114 22.283 ( -2.721 -5.457 -0.418) 6.112 22.283 ( 2.721 -5.457 -0.418) 6.112 ======================= Grid point 387 (75/84) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 5.535 5.535 12.365) 14.634 1.801 ( 4.693 4.693 -0.765) 6.681 2.053 ( 8.275 8.275 -0.944) 11.741 2.150 ( 9.576 9.576 -6.258) 14.919 2.827 ( 4.200 4.200 14.223) 15.414 3.031 ( 3.309 3.309 -6.752) 8.215 4.167 ( -7.061 -7.061 -0.035) 9.986 4.191 ( -3.998 -3.998 -2.897) 6.353 4.497 ( -2.425 -2.425 3.822) 5.135 4.544 ( -0.911 -0.911 -0.907) 1.575 4.802 ( 1.706 1.706 4.814) 5.385 4.907 ( 2.178 2.178 -5.807) 6.574 5.922 ( 7.193 7.193 10.569) 14.669 6.102 ( 5.246 5.246 -7.743) 10.724 6.630 ( 6.145 6.145 8.496) 12.154 6.823 ( 7.097 7.097 -11.048) 14.927 7.704 ( 3.734 3.734 8.717) 10.192 7.767 ( -5.860 -5.860 4.599) 9.478 7.881 ( 1.255 1.255 -4.313) 4.663 7.991 ( 3.437 3.437 -12.269) 13.197 9.062 ( 3.692 3.692 5.520) 7.598 9.189 ( 9.663 9.663 -7.120) 15.409 10.004 ( -7.964 -7.964 15.840) 19.436 10.126 ( -8.947 -8.947 7.315) 14.615 10.510 ( 3.448 3.448 7.581) 9.014 10.537 ( -4.225 -4.225 -5.090) 7.849 10.921 ( 5.342 5.342 -4.709) 8.902 11.174 ( 2.208 2.208 -20.612) 20.847 16.890 ( -0.345 -0.345 16.242) 16.250 17.140 ( 1.145 1.145 -8.804) 8.952 17.582 ( -6.921 -6.921 3.906) 10.539 17.665 ( -8.148 -8.148 -4.289) 12.295 20.124 ( -6.577 -6.577 2.386) 9.603 20.194 ( -8.980 -8.980 -4.932) 13.624 21.961 ( 0.214 0.214 17.513) 17.515 22.297 ( 1.233 1.233 -17.376) 17.463 ======================= Grid point 388 (76/84) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 7.592 3.283 8.507) 11.865 1.900 ( 5.072 0.432 -3.654) 6.266 2.241 ( 9.120 5.600 4.535) 11.623 2.365 ( 9.852 5.156 -6.293) 12.777 2.890 ( 2.151 -2.522 15.028) 15.389 3.107 ( 3.362 -3.896 -6.709) 8.455 3.971 ( -10.262 -2.267 2.904) 10.903 4.088 ( -6.378 -0.635 -8.209) 10.414 4.457 ( -0.631 0.030 3.019) 3.085 4.503 ( -0.347 -0.077 -1.801) 1.836 4.867 ( 2.730 2.154 8.251) 8.954 5.004 ( 4.198 2.911 -5.418) 7.446 6.078 ( 8.511 10.193 7.430) 15.216 6.203 ( 5.797 9.295 -5.365) 12.198 6.757 ( 4.181 6.076 9.211) 11.800 6.948 ( 2.601 7.994 -10.008) 13.071 7.654 ( -0.956 -6.694 4.609) 8.184 7.729 ( 1.210 -8.512 -2.602) 8.983 8.052 ( 12.155 -9.570 2.943) 15.748 8.173 ( 10.865 -8.851 -8.518) 16.399 9.070 ( -2.006 -3.355 11.130) 11.797 9.297 ( 0.946 1.696 -11.866) 12.024 9.784 ( -13.002 -13.515 11.706) 22.107 9.915 ( -11.375 -14.625 1.186) 18.566 10.486 ( 0.528 4.955 10.341) 11.479 10.594 ( 3.383 4.376 9.865) 11.310 11.014 ( 3.576 6.425 -11.778) 13.885 11.200 ( 0.180 3.110 -20.211) 20.450 16.872 ( -0.772 -2.791 17.464) 17.702 17.141 ( -1.713 2.874 -9.731) 10.290 17.464 ( -4.139 -6.728 2.863) 8.402 17.542 ( -3.628 -3.770 -4.890) 7.162 19.959 ( -7.853 4.406 2.437) 9.328 20.036 ( -6.424 0.801 -5.342) 8.393 21.986 ( 1.890 -6.398 15.689) 17.048 22.283 ( -2.450 -4.087 -15.011) 15.749 ======================= Grid point 389 (77/84) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 7.309 -0.759 5.466) 9.158 2.006 ( 4.456 -2.537 -1.634) 5.381 2.389 ( 4.693 1.319 2.953) 5.699 2.496 ( 1.659 1.629 -7.307) 7.668 2.962 ( 6.045 -5.762 15.598) 17.693 3.158 ( 1.144 -6.579 -3.459) 7.520 3.785 ( -6.511 -0.256 3.235) 7.275 3.920 ( -9.217 0.205 -8.722) 12.691 4.495 ( 3.954 3.678 3.215) 6.285 4.551 ( 3.707 3.807 -2.100) 5.714 4.892 ( 0.306 2.472 7.423) 7.830 5.022 ( -2.531 3.142 -5.326) 6.681 6.286 ( 11.340 8.764 5.533) 15.363 6.373 ( 10.439 8.992 -3.535) 14.224 6.745 ( -5.331 7.351 7.511) 11.784 6.879 ( -8.432 8.353 -6.214) 13.397 7.743 ( 8.216 -8.898 4.392) 12.883 7.829 ( 6.901 -10.658 -4.513) 13.475 8.286 ( 8.526 -16.434 2.440) 18.674 8.361 ( 5.620 -16.464 -5.114) 18.133 9.038 ( 0.836 -11.431 12.199) 16.739 9.273 ( -1.780 -8.119 -10.969) 13.762 9.500 ( -12.727 -15.265 9.239) 21.917 9.664 ( -12.381 -16.606 -6.123) 21.599 10.539 ( 3.811 8.838 17.886) 20.311 10.638 ( 0.544 6.757 15.386) 16.813 11.076 ( 2.626 6.366 -17.522) 18.826 11.182 ( -1.854 4.099 -20.340) 20.832 16.883 ( 2.110 -3.988 14.065) 14.771 17.066 ( -5.018 -0.328 -3.430) 6.087 17.421 ( -0.178 -3.243 -0.573) 3.298 17.488 ( -2.178 -0.056 -6.147) 6.522 19.846 ( -2.654 10.774 2.780) 11.439 19.919 ( -4.771 8.941 -4.509) 11.092 22.036 ( 3.036 -10.286 8.886) 13.928 22.207 ( -4.450 -8.433 -8.692) 12.902 ======================= Grid point 390 (78/84) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -2.218 -3.601 2.645) 4.989 2.038 ( 2.219 -3.601 2.645) 4.989 2.462 ( -3.198 -0.122 -3.592) 4.811 2.462 ( 3.198 -0.122 -3.592) 4.811 3.111 ( -6.146 -6.078 8.751) 12.300 3.111 ( 6.146 -6.078 8.751) 12.300 3.759 ( -4.526 0.072 -4.631) 6.476 3.759 ( 4.526 0.072 -4.631) 6.476 4.576 ( -2.329 5.052 2.077) 5.938 4.576 ( 2.329 5.052 2.077) 5.938 4.935 ( -4.341 3.411 -0.753) 5.572 4.935 ( 4.341 3.411 -0.753) 5.572 6.510 ( -6.860 6.633 4.468) 10.536 6.510 ( 6.860 6.633 4.468) 10.536 6.670 ( -7.984 8.592 -2.734) 12.044 6.670 ( 7.984 8.592 -2.734) 12.044 7.892 ( -3.134 -8.211 1.441) 8.906 7.892 ( 3.134 -8.211 1.441) 8.906 8.385 ( -2.212 -18.590 -2.048) 18.833 8.385 ( 2.212 -18.590 -2.048) 18.833 9.154 ( -9.404 -19.619 8.025) 23.189 9.154 ( 9.404 -19.619 8.025) 23.189 9.438 ( -7.608 -11.300 -7.050) 15.339 9.438 ( 7.608 -11.300 -7.050) 15.339 10.613 ( -2.767 8.530 18.645) 20.689 10.613 ( 2.767 8.530 18.645) 20.689 11.131 ( -2.726 5.347 -20.197) 21.070 11.131 ( 2.726 5.347 -20.197) 21.070 16.958 ( -4.864 -3.284 6.514) 8.768 16.958 ( 4.864 -3.284 6.514) 8.768 17.443 ( -1.960 -0.036 -4.922) 5.298 17.443 ( 1.960 -0.036 -4.922) 5.298 19.845 ( -2.127 12.489 -0.504) 12.679 19.845 ( 2.127 12.489 -0.504) 12.679 22.113 ( -4.309 -10.859 -0.105) 11.683 22.113 ( 4.309 -10.859 -0.105) 11.683 ======================= Grid point 399 (79/84) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 3.799 3.799 5.238) 7.503 1.916 ( 1.467 1.467 -1.670) 2.663 2.339 ( 3.718 3.718 5.641) 7.712 2.478 ( 4.766 4.766 -7.334) 9.961 2.845 ( -1.001 -1.001 13.666) 13.739 3.059 ( -0.614 -0.614 -7.558) 7.608 3.879 ( -6.367 -6.367 4.208) 9.939 4.028 ( -5.681 -5.681 -9.997) 12.826 4.481 ( 2.970 2.970 4.312) 6.020 4.539 ( 4.175 4.175 -0.820) 5.961 4.913 ( 1.600 1.600 9.603) 9.866 5.077 ( 2.753 2.753 -6.525) 7.598 6.278 ( 9.025 9.025 6.034) 14.118 6.363 ( 7.000 7.000 -2.997) 10.343 6.915 ( 7.424 7.424 10.295) 14.704 7.134 ( 7.088 7.088 -11.552) 15.295 7.473 ( -7.485 -7.485 3.013) 11.006 7.538 ( -7.084 -7.084 -3.337) 10.559 7.975 ( 0.590 0.590 4.164) 4.247 8.093 ( -0.384 -0.384 -7.375) 7.395 8.951 ( -7.447 -7.447 15.013) 18.339 9.236 ( -7.463 -7.463 -12.955) 16.710 9.479 ( -14.959 -14.959 7.050) 22.299 9.598 ( -14.319 -14.319 -3.928) 20.628 10.596 ( 5.370 5.370 17.053) 18.668 10.695 ( 4.512 4.512 14.937) 16.243 11.122 ( 3.824 3.824 -16.212) 17.090 11.243 ( 0.997 0.997 -19.817) 19.867 16.813 ( -2.035 -2.035 21.652) 21.843 17.165 ( -2.447 -2.447 -12.593) 13.060 17.341 ( -2.797 -2.797 6.979) 8.021 17.508 ( -0.708 -0.708 -8.458) 8.517 20.048 ( 3.260 3.260 -1.326) 4.797 20.067 ( 3.210 3.210 -3.312) 5.619 21.865 ( -4.960 -4.960 15.959) 17.432 22.156 ( -7.778 -7.778 -14.171) 17.939 ======================= Grid point 400 (80/84) ======================= q-point: ( 0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 3.370 -0.131 3.338) 4.745 1.964 ( 2.451 -0.482 -1.211) 2.777 2.391 ( 1.562 -1.328 3.777) 4.298 2.508 ( -2.186 -1.022 -7.934) 8.292 2.897 ( 6.264 0.167 12.526) 14.006 3.075 ( 1.227 -1.039 -5.319) 5.557 3.739 ( -5.777 -4.534 4.272) 8.496 3.865 ( -9.074 -5.595 -7.343) 12.945 4.577 ( 5.600 4.284 6.269) 9.435 4.651 ( 5.056 5.412 0.935) 7.465 4.933 ( 1.050 1.540 5.681) 5.979 5.084 ( -2.341 2.228 -7.611) 8.269 6.466 ( 9.501 8.001 4.711) 13.285 6.530 ( 9.414 6.359 -2.274) 11.586 6.936 ( -6.526 9.608 6.705) 13.412 7.059 ( -11.198 7.487 -5.647) 14.606 7.509 ( 8.971 -12.780 2.402) 15.798 7.584 ( 10.293 -10.055 -4.596) 15.105 8.001 ( 0.168 -11.004 2.844) 11.366 8.085 ( -1.945 -10.268 -5.359) 11.744 8.802 ( -5.286 -10.371 15.114) 19.077 9.007 ( -12.686 -15.395 -0.423) 19.953 9.239 ( -6.704 -10.434 -2.395) 12.631 9.354 ( -9.353 -12.566 -9.559) 18.351 10.697 ( 4.174 6.244 19.633) 21.021 10.762 ( 1.678 4.975 18.002) 18.752 11.180 ( 2.083 3.637 -19.157) 19.610 11.244 ( -0.779 1.923 -20.013) 20.120 16.811 ( 2.146 -2.282 20.522) 20.760 17.044 ( -7.383 -2.080 3.298) 8.350 17.356 ( 2.727 -2.599 -4.460) 5.838 17.482 ( -2.063 -0.955 -10.834) 11.070 20.109 ( 3.159 13.898 -0.194) 14.254 20.143 ( 2.839 12.818 -3.762) 13.657 21.797 ( -1.127 -12.505 10.132) 16.134 21.980 ( -8.492 -13.127 -8.865) 17.973 ======================= Grid point 401 (81/84) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -1.591 -1.273 1.287) 2.411 1.977 ( 1.592 -1.273 1.287) 2.411 2.436 ( -3.369 -2.732 -2.774) 5.149 2.436 ( 3.369 -2.732 -2.774) 5.149 3.041 ( -5.426 -0.190 4.650) 7.149 3.041 ( 5.426 -0.190 4.650) 7.149 3.711 ( -3.994 -5.126 -2.134) 6.840 3.711 ( 3.994 -5.126 -2.134) 6.840 4.677 ( -2.874 4.320 7.142) 8.828 4.677 ( 2.874 4.320 7.142) 8.828 4.997 ( -4.909 2.618 -4.712) 7.291 4.997 ( 4.909 2.618 -4.712) 7.291 6.658 ( -5.471 6.805 3.291) 9.331 6.658 ( 5.471 6.805 3.291) 9.331 6.830 ( -6.475 5.902 -2.515) 9.115 6.830 ( 6.475 5.902 -2.515) 9.115 7.701 ( -4.272 -9.066 2.055) 10.230 7.701 ( 4.272 -9.066 2.055) 10.230 8.003 ( -3.530 -16.838 -3.540) 17.565 8.003 ( 3.530 -16.838 -3.540) 17.565 8.801 ( -5.706 -13.322 10.557) 17.930 8.801 ( 5.706 -13.322 10.557) 17.930 9.212 ( -3.611 -10.330 -9.328) 14.379 9.212 ( 3.611 -10.330 -9.328) 14.379 10.761 ( -1.723 5.629 19.779) 20.637 10.761 ( 1.723 5.629 19.779) 20.637 11.218 ( -1.605 2.946 -20.298) 20.573 11.218 ( 1.605 2.946 -20.298) 20.573 16.899 ( -6.025 -2.183 14.516) 15.868 16.899 ( 6.025 -2.183 14.516) 15.868 17.423 ( -3.386 -1.925 -10.142) 10.864 17.423 ( 3.386 -1.925 -10.142) 10.864 20.161 ( -1.226 17.827 -1.446) 17.928 20.161 ( 1.226 17.827 -1.446) 17.928 21.835 ( -4.836 -15.867 0.214) 16.589 21.835 ( 4.836 -15.867 0.214) 16.589 ======================= Grid point 411 (82/84) ======================= q-point: ( 0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 3.044 3.044 2.563) 5.010 2.000 ( 2.992 2.992 -2.956) 5.161 2.343 ( -2.596 -2.596 3.597) 5.139 2.443 ( -4.957 -4.957 -6.331) 9.445 2.972 ( 6.421 6.421 8.586) 12.496 3.103 ( 2.799 2.799 -4.399) 5.918 3.607 ( -7.027 -7.027 3.973) 10.702 3.702 ( -9.300 -9.300 -4.770) 13.990 4.671 ( 4.517 4.517 10.302) 12.122 4.747 ( 2.835 2.835 8.742) 9.617 4.969 ( 2.487 2.487 -3.431) 4.913 5.097 ( -1.132 -1.132 -10.529) 10.650 6.612 ( 6.676 6.676 3.041) 9.919 6.665 ( 7.089 7.089 -2.605) 10.359 7.000 ( -6.218 -6.218 2.581) 9.164 7.071 ( -7.729 -7.729 -4.677) 11.889 7.390 ( 5.312 5.312 6.405) 9.872 7.527 ( 4.912 4.912 -7.027) 9.881 7.813 ( -7.993 -7.993 3.465) 11.822 7.896 ( -8.446 -8.446 -4.944) 12.927 8.637 ( -5.036 -5.036 16.395) 17.875 8.737 ( -9.532 -9.532 10.965) 17.376 9.059 ( -5.932 -5.932 -9.686) 12.814 9.143 ( -8.064 -8.064 -13.730) 17.848 10.799 ( 3.619 3.619 20.257) 20.894 10.836 ( 2.093 2.093 19.241) 19.467 11.233 ( 1.703 1.703 -19.984) 20.129 11.265 ( 0.221 0.221 -19.968) 19.970 16.803 ( 1.545 1.545 23.857) 23.957 16.973 ( -4.629 -4.629 15.908) 17.202 17.332 ( 0.531 0.531 -13.610) 13.631 17.441 ( -2.935 -2.935 -15.292) 15.845 20.390 ( 12.739 12.739 0.334) 18.019 20.432 ( 13.073 13.073 -4.095) 18.936 21.546 ( -10.377 -10.377 8.015) 16.721 21.686 ( -14.337 -14.337 -6.530) 21.301 ======================= Grid point 412 (83/84) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -2.405 5.368 -0.049) 5.882 2.018 ( 2.405 5.368 -0.048) 5.882 2.341 ( -3.383 -6.506 -1.791) 7.549 2.341 ( 3.383 -6.506 -1.791) 7.549 3.107 ( -4.338 6.428 2.485) 8.143 3.107 ( 4.338 6.428 2.485) 8.143 3.545 ( -3.327 -10.450 -0.818) 10.997 3.545 ( 3.327 -10.450 -0.818) 10.997 4.748 ( -2.391 2.413 13.266) 13.694 4.748 ( 2.391 2.413 13.266) 13.694 5.041 ( -3.796 1.538 -10.781) 11.533 5.041 ( 3.796 1.538 -10.781) 11.533 6.760 ( -5.204 2.858 0.877) 6.002 6.760 ( 5.204 2.858 0.877) 6.002 6.886 ( -5.395 -0.639 -3.040) 6.225 6.886 ( 5.395 -0.639 -3.040) 6.225 7.572 ( -7.664 -2.577 3.480) 8.803 7.572 ( 7.664 -2.577 3.480) 8.803 7.736 ( -5.734 -8.422 -4.145) 10.999 7.736 ( 5.734 -8.422 -4.145) 10.999 8.612 ( -2.627 -5.310 17.048) 18.048 8.612 ( 2.627 -5.310 17.048) 18.048 9.025 ( -2.624 -7.087 -14.387) 16.251 9.025 ( 2.624 -7.087 -14.387) 16.251 10.847 ( -0.985 2.759 20.063) 20.276 10.847 ( 0.985 2.759 20.063) 20.276 11.258 ( -0.785 1.111 -20.155) 20.201 11.258 ( 0.785 1.111 -20.155) 20.201 16.871 ( -4.651 -0.647 23.104) 23.576 16.871 ( 4.651 -0.647 23.104) 23.576 17.374 ( -3.121 -2.393 -17.381) 17.821 17.374 ( 3.121 -2.393 -17.381) 17.821 20.571 ( -1.969 21.297 -1.120) 21.417 20.571 ( 1.969 21.297 -1.120) 21.417 21.462 ( -4.439 -19.837 0.208) 20.328 21.462 ( 4.439 -19.837 0.209) 20.328 ======================= Grid point 428 (84/84) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.000 0.000 0.274) 0.274 2.162 ( 0.000 0.000 0.274) 0.274 2.190 ( -0.000 -0.000 -2.372) 2.372 2.190 ( -0.000 -0.000 -2.372) 2.372 3.264 ( -0.000 -0.000 5.001) 5.001 3.264 ( 0.000 0.000 5.001) 5.001 3.342 ( 0.000 0.000 -3.456) 3.456 3.342 ( 0.000 0.000 -3.456) 3.456 4.773 ( 0.000 0.000 15.911) 15.911 4.773 ( 0.000 0.000 15.911) 15.911 5.058 ( 0.000 0.000 -13.499) 13.499 5.058 ( 0.000 0.000 -13.499) 13.499 6.795 ( -0.000 -0.000 0.628) 0.628 6.795 ( 0.000 0.000 0.628) 0.628 6.853 ( 0.000 0.000 -4.595) 4.595 6.853 ( 0.000 0.000 -4.595) 4.595 7.565 ( -0.000 -0.000 4.057) 4.057 7.565 ( 0.000 0.000 4.057) 4.057 7.646 ( 0.000 0.000 -3.975) 3.975 7.646 ( 0.000 0.000 -3.975) 3.975 8.561 ( 0.000 0.000 21.585) 21.585 8.561 ( 0.000 0.000 21.585) 21.585 8.947 ( 0.000 0.000 -18.093) 18.093 8.947 ( 0.000 0.000 -18.093) 18.093 10.876 ( 0.000 0.000 20.114) 20.114 10.876 ( 0.000 0.000 20.114) 20.114 11.269 ( 0.000 0.000 -20.083) 20.083 11.269 ( 0.000 0.000 -20.083) 20.083 16.865 ( 0.000 0.000 27.595) 27.595 16.865 ( 0.000 0.000 27.595) 27.595 17.345 ( 0.000 0.000 -21.539) 21.539 17.345 ( 0.000 0.000 -21.539) 21.539 21.019 ( -0.001 -0.001 0.222) 0.222 21.019 ( 0.000 0.000 0.222) 0.222 21.030 ( 0.000 0.000 -0.846) 0.846 21.030 ( 0.001 0.001 -0.846) 0.846 =================== 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 3/25200 10.0 224.559 224.559 228.493 -0.000 -0.000 0.000 3/25200 20.0 76.768 76.768 87.587 -0.000 -0.000 0.000 3/25200 30.0 38.990 38.990 44.106 -0.000 0.000 0.000 3/25200 40.0 23.924 23.924 27.186 0.000 0.000 0.000 3/25200 50.0 16.577 16.577 18.981 0.000 0.000 0.000 3/25200 60.0 12.462 12.462 14.336 0.000 0.000 0.000 3/25200 70.0 9.912 9.912 11.424 0.000 0.000 0.000 3/25200 80.0 8.211 8.211 9.465 0.000 0.000 0.000 3/25200 90.0 7.010 7.010 8.077 0.000 0.000 0.000 3/25200 100.0 6.122 6.122 7.053 0.000 0.000 0.000 3/25200 110.0 5.442 5.442 6.271 0.000 0.000 0.000 3/25200 120.0 4.906 4.906 5.657 0.000 0.000 0.000 3/25200 130.0 4.472 4.472 5.162 0.000 0.000 0.000 3/25200 140.0 4.114 4.114 4.756 0.000 0.000 0.000 3/25200 150.0 3.814 3.814 4.415 0.000 0.000 0.000 3/25200 160.0 3.559 3.559 4.125 0.000 0.000 0.000 3/25200 170.0 3.339 3.339 3.874 0.000 0.000 0.000 3/25200 180.0 3.147 3.147 3.656 0.000 0.000 0.000 3/25200 190.0 2.979 2.979 3.463 0.000 0.000 0.000 3/25200 200.0 2.829 2.829 3.292 0.000 0.000 0.000 3/25200 210.0 2.695 2.695 3.138 0.000 0.000 0.000 3/25200 220.0 2.575 2.575 2.999 0.000 0.000 0.000 3/25200 230.0 2.466 2.466 2.873 0.000 0.000 0.000 3/25200 240.0 2.366 2.366 2.757 0.000 0.000 0.000 3/25200 250.0 2.275 2.275 2.651 0.000 0.000 0.000 3/25200 260.0 2.192 2.192 2.553 0.000 0.000 0.000 3/25200 270.0 2.115 2.115 2.463 0.000 0.000 0.000 3/25200 280.0 2.043 2.043 2.379 0.000 0.000 0.000 3/25200 290.0 1.977 1.977 2.301 0.000 0.000 0.000 3/25200 300.0 1.914 1.914 2.228 0.000 0.000 0.000 3/25200 310.0 1.856 1.856 2.159 0.000 0.000 0.000 3/25200 320.0 1.802 1.802 2.095 0.000 0.000 0.000 3/25200 330.0 1.750 1.750 2.034 0.000 0.000 0.000 3/25200 340.0 1.702 1.702 1.977 0.000 0.000 0.000 3/25200 350.0 1.657 1.657 1.923 0.000 0.000 0.000 3/25200 360.0 1.613 1.613 1.872 0.000 0.000 0.000 3/25200 370.0 1.572 1.572 1.824 0.000 0.000 0.000 3/25200 380.0 1.534 1.534 1.778 0.000 0.000 0.000 3/25200 390.0 1.497 1.497 1.735 0.000 0.000 0.000 3/25200 400.0 1.461 1.461 1.693 0.000 0.000 0.000 3/25200 410.0 1.428 1.428 1.654 0.000 0.000 0.000 3/25200 420.0 1.396 1.396 1.616 0.000 0.000 0.000 3/25200 430.0 1.365 1.365 1.580 0.000 0.000 0.000 3/25200 440.0 1.336 1.336 1.545 0.000 0.000 0.000 3/25200 450.0 1.308 1.308 1.512 0.000 0.000 0.000 3/25200 460.0 1.281 1.281 1.480 0.000 0.000 0.000 3/25200 470.0 1.255 1.255 1.450 0.000 0.000 0.000 3/25200 480.0 1.230 1.230 1.421 0.000 0.000 0.000 3/25200 490.0 1.207 1.207 1.393 0.000 0.000 0.000 3/25200 500.0 1.184 1.184 1.366 0.000 0.000 0.000 3/25200 510.0 1.162 1.162 1.340 0.000 0.000 0.000 3/25200 520.0 1.140 1.140 1.315 0.000 0.000 0.000 3/25200 530.0 1.120 1.120 1.291 0.000 0.000 0.000 3/25200 540.0 1.100 1.100 1.268 0.000 0.000 0.000 3/25200 550.0 1.081 1.081 1.246 0.000 0.000 0.000 3/25200 560.0 1.062 1.062 1.224 0.000 0.000 0.000 3/25200 570.0 1.045 1.045 1.203 0.000 0.000 0.000 3/25200 580.0 1.027 1.027 1.183 0.000 0.000 0.000 3/25200 590.0 1.011 1.011 1.163 0.000 0.000 0.000 3/25200 600.0 0.994 0.994 1.145 0.000 0.000 0.000 3/25200 610.0 0.979 0.979 1.126 0.000 0.000 0.000 3/25200 620.0 0.964 0.964 1.109 0.000 0.000 0.000 3/25200 630.0 0.949 0.949 1.091 0.000 0.000 0.000 3/25200 640.0 0.935 0.935 1.075 0.000 0.000 0.000 3/25200 650.0 0.921 0.921 1.059 0.000 0.000 0.000 3/25200 660.0 0.907 0.907 1.043 0.000 0.000 0.000 3/25200 670.0 0.894 0.894 1.028 0.000 0.000 0.000 3/25200 680.0 0.881 0.881 1.013 0.000 0.000 0.000 3/25200 690.0 0.869 0.869 0.999 0.000 0.000 0.000 3/25200 700.0 0.857 0.857 0.985 0.000 0.000 0.000 3/25200 710.0 0.845 0.845 0.971 0.000 0.000 0.000 3/25200 720.0 0.834 0.834 0.958 0.000 0.000 0.000 3/25200 730.0 0.823 0.823 0.945 0.000 0.000 0.000 3/25200 740.0 0.812 0.812 0.932 0.000 0.000 0.000 3/25200 750.0 0.802 0.802 0.920 0.000 0.000 0.000 3/25200 760.0 0.791 0.791 0.908 0.000 0.000 0.000 3/25200 770.0 0.781 0.781 0.897 0.000 0.000 0.000 3/25200 780.0 0.772 0.772 0.885 0.000 0.000 0.000 3/25200 790.0 0.762 0.762 0.874 0.000 0.000 0.000 3/25200 800.0 0.753 0.753 0.864 0.000 0.000 0.000 3/25200 810.0 0.744 0.744 0.853 0.000 0.000 0.000 3/25200 820.0 0.735 0.735 0.843 0.000 0.000 0.000 3/25200 830.0 0.726 0.726 0.833 0.000 0.000 0.000 3/25200 840.0 0.718 0.718 0.823 0.000 0.000 0.000 3/25200 850.0 0.710 0.710 0.814 0.000 0.000 0.000 3/25200 860.0 0.702 0.702 0.804 0.000 0.000 0.000 3/25200 870.0 0.694 0.694 0.795 0.000 0.000 0.000 3/25200 880.0 0.686 0.686 0.786 0.000 0.000 0.000 3/25200 890.0 0.679 0.679 0.778 0.000 0.000 0.000 3/25200 900.0 0.671 0.671 0.769 0.000 0.000 0.000 3/25200 910.0 0.664 0.664 0.761 0.000 0.000 0.000 3/25200 920.0 0.657 0.657 0.753 0.000 0.000 0.000 3/25200 930.0 0.650 0.650 0.745 0.000 0.000 0.000 3/25200 940.0 0.643 0.643 0.737 0.000 0.000 0.000 3/25200 950.0 0.637 0.637 0.729 0.000 0.000 0.000 3/25200 960.0 0.630 0.630 0.722 0.000 0.000 0.000 3/25200 970.0 0.624 0.624 0.714 0.000 0.000 0.000 3/25200 980.0 0.617 0.617 0.707 0.000 0.000 0.000 3/25200 990.0 0.611 0.611 0.700 0.000 0.000 0.000 3/25200 1000.0 0.605 0.605 0.693 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:35:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|