----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:40:48]------------------------- 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: [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.996165100000000 -6.602099550000000 0.000000000000000 b 1.996165100000000 6.602099550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.998725080000000 Atomic positions (fractional): *1 Br 0.65030895017874 0.34969104982126 0.43412339209394 79.904 2 Br 0.34969104982126 0.65030895017874 0.56587660790606 79.904 *3 Br 0.08749178353953 0.91250821646047 0.75000000000000 79.904 4 Br 0.91250821646047 0.08749178353953 0.25000000000000 79.904 5 Br 0.65030895017874 0.34969104982126 0.06587660790606 79.904 6 Br 0.34969104982126 0.65030895017874 0.93412339209394 79.904 *7 Sm 0.25852228997819 0.74147771002181 0.25000000000000 150.360 8 Sm 0.74147771002181 0.25852228997819 0.75000000000000 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.992330200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.204199100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.998725080000000 Atomic positions (fractional): *1 Br 0.00000000000000 0.34969104982126 0.43412339209394 79.904 > 1 2 Br 0.50000000000000 0.15030895017874 0.56587660790606 79.904 > 2 *3 Br 0.50000000000000 0.41250821646047 0.75000000000000 79.904 > 3 4 Br 0.00000000000000 0.08749178353953 0.25000000000000 79.904 > 4 5 Br 0.00000000000000 0.34969104982126 0.06587660790606 79.904 > 5 6 Br 0.50000000000000 0.15030895017874 0.93412339209394 79.904 > 6 7 Br 0.50000000000000 0.84969104982126 0.43412339209394 79.904 > 1 8 Br 0.00000000000000 0.65030895017874 0.56587660790606 79.904 > 2 9 Br 0.00000000000000 0.91250821646047 0.75000000000000 79.904 > 3 10 Br 0.50000000000000 0.58749178353953 0.25000000000000 79.904 > 4 11 Br 0.50000000000000 0.84969104982126 0.06587660790606 79.904 > 5 12 Br 0.00000000000000 0.65030895017874 0.93412339209394 79.904 > 6 *13 Sm 0.50000000000000 0.24147771002181 0.25000000000000 150.360 > 7 14 Sm 0.00000000000000 0.25852228997819 0.75000000000000 150.360 > 8 15 Sm 0.00000000000000 0.74147771002181 0.25000000000000 150.360 > 7 16 Sm 0.50000000000000 0.75852228997819 0.75000000000000 150.360 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.969320800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.204199100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.997450160000000 Atomic positions (fractional): *1 Br 0.00000000000000 0.34969104982126 0.21706169604697 79.904 > 1 2 Br 0.25000000000000 0.34969104982126 0.21706169604697 79.904 > 1 3 Br 0.50000000000000 0.34969104982126 0.21706169604697 79.904 > 1 4 Br 0.75000000000000 0.34969104982126 0.21706169604697 79.904 > 1 5 Br 0.00000000000000 0.34969104982126 0.71706169604697 79.904 > 1 6 Br 0.25000000000000 0.34969104982126 0.71706169604697 79.904 > 1 7 Br 0.50000000000000 0.34969104982126 0.71706169604697 79.904 > 1 8 Br 0.75000000000000 0.34969104982126 0.71706169604697 79.904 > 1 9 Br 0.12500000000000 0.15030895017874 0.28293830395303 79.904 > 2 10 Br 0.37500000000000 0.15030895017874 0.28293830395303 79.904 > 2 11 Br 0.62500000000000 0.15030895017874 0.28293830395303 79.904 > 2 12 Br 0.87500000000000 0.15030895017874 0.28293830395303 79.904 > 2 13 Br 0.12500000000000 0.15030895017874 0.78293830395303 79.904 > 2 14 Br 0.37500000000000 0.15030895017874 0.78293830395303 79.904 > 2 15 Br 0.62500000000000 0.15030895017874 0.78293830395303 79.904 > 2 16 Br 0.87500000000000 0.15030895017874 0.78293830395303 79.904 > 2 *17 Br 0.12500000000000 0.41250821646047 0.37500000000000 79.904 > 3 18 Br 0.37500000000000 0.41250821646047 0.37500000000000 79.904 > 3 19 Br 0.62500000000000 0.41250821646047 0.37500000000000 79.904 > 3 20 Br 0.87500000000000 0.41250821646047 0.37500000000000 79.904 > 3 21 Br 0.12500000000000 0.41250821646047 0.87500000000000 79.904 > 3 22 Br 0.37500000000000 0.41250821646047 0.87500000000000 79.904 > 3 23 Br 0.62500000000000 0.41250821646047 0.87500000000000 79.904 > 3 24 Br 0.87500000000000 0.41250821646047 0.87500000000000 79.904 > 3 25 Br 0.00000000000000 0.08749178353953 0.12500000000000 79.904 > 4 26 Br 0.25000000000000 0.08749178353953 0.12500000000000 79.904 > 4 27 Br 0.50000000000000 0.08749178353953 0.12500000000000 79.904 > 4 28 Br 0.75000000000000 0.08749178353953 0.12500000000000 79.904 > 4 29 Br 0.00000000000000 0.08749178353953 0.62500000000000 79.904 > 4 30 Br 0.25000000000000 0.08749178353953 0.62500000000000 79.904 > 4 31 Br 0.50000000000000 0.08749178353953 0.62500000000000 79.904 > 4 32 Br 0.75000000000000 0.08749178353953 0.62500000000000 79.904 > 4 33 Br 0.00000000000000 0.34969104982126 0.03293830395303 79.904 > 5 34 Br 0.25000000000000 0.34969104982126 0.03293830395303 79.904 > 5 35 Br 0.50000000000000 0.34969104982126 0.03293830395303 79.904 > 5 36 Br 0.75000000000000 0.34969104982126 0.03293830395303 79.904 > 5 37 Br 0.00000000000000 0.34969104982126 0.53293830395303 79.904 > 5 38 Br 0.25000000000000 0.34969104982126 0.53293830395303 79.904 > 5 39 Br 0.50000000000000 0.34969104982126 0.53293830395303 79.904 > 5 40 Br 0.75000000000000 0.34969104982126 0.53293830395303 79.904 > 5 41 Br 0.12500000000000 0.15030895017874 0.46706169604697 79.904 > 6 42 Br 0.37500000000000 0.15030895017874 0.46706169604697 79.904 > 6 43 Br 0.62500000000000 0.15030895017874 0.46706169604697 79.904 > 6 44 Br 0.87500000000000 0.15030895017874 0.46706169604697 79.904 > 6 45 Br 0.12500000000000 0.15030895017874 0.96706169604697 79.904 > 6 46 Br 0.37500000000000 0.15030895017874 0.96706169604697 79.904 > 6 47 Br 0.62500000000000 0.15030895017874 0.96706169604697 79.904 > 6 48 Br 0.87500000000000 0.15030895017874 0.96706169604697 79.904 > 6 49 Br 0.12500000000000 0.84969104982126 0.21706169604697 79.904 > 1 50 Br 0.37500000000000 0.84969104982126 0.21706169604697 79.904 > 1 51 Br 0.62500000000000 0.84969104982126 0.21706169604697 79.904 > 1 52 Br 0.87500000000000 0.84969104982126 0.21706169604697 79.904 > 1 53 Br 0.12500000000000 0.84969104982126 0.71706169604697 79.904 > 1 54 Br 0.37500000000000 0.84969104982126 0.71706169604697 79.904 > 1 55 Br 0.62500000000000 0.84969104982126 0.71706169604697 79.904 > 1 56 Br 0.87500000000000 0.84969104982126 0.71706169604697 79.904 > 1 57 Br 0.00000000000000 0.65030895017874 0.28293830395303 79.904 > 2 58 Br 0.25000000000000 0.65030895017874 0.28293830395303 79.904 > 2 59 Br 0.50000000000000 0.65030895017874 0.28293830395303 79.904 > 2 60 Br 0.75000000000000 0.65030895017874 0.28293830395303 79.904 > 2 61 Br 0.00000000000000 0.65030895017874 0.78293830395303 79.904 > 2 62 Br 0.25000000000000 0.65030895017874 0.78293830395303 79.904 > 2 63 Br 0.50000000000000 0.65030895017874 0.78293830395303 79.904 > 2 64 Br 0.75000000000000 0.65030895017874 0.78293830395303 79.904 > 2 65 Br 0.00000000000000 0.91250821646047 0.37500000000000 79.904 > 3 66 Br 0.25000000000000 0.91250821646047 0.37500000000000 79.904 > 3 67 Br 0.50000000000000 0.91250821646047 0.37500000000000 79.904 > 3 68 Br 0.75000000000000 0.91250821646047 0.37500000000000 79.904 > 3 69 Br 0.00000000000000 0.91250821646047 0.87500000000000 79.904 > 3 70 Br 0.25000000000000 0.91250821646047 0.87500000000000 79.904 > 3 71 Br 0.50000000000000 0.91250821646047 0.87500000000000 79.904 > 3 72 Br 0.75000000000000 0.91250821646047 0.87500000000000 79.904 > 3 73 Br 0.12500000000000 0.58749178353953 0.12500000000000 79.904 > 4 74 Br 0.37500000000000 0.58749178353953 0.12500000000000 79.904 > 4 75 Br 0.62500000000000 0.58749178353953 0.12500000000000 79.904 > 4 76 Br 0.87500000000000 0.58749178353953 0.12500000000000 79.904 > 4 77 Br 0.12500000000000 0.58749178353953 0.62500000000000 79.904 > 4 78 Br 0.37500000000000 0.58749178353953 0.62500000000000 79.904 > 4 79 Br 0.62500000000000 0.58749178353953 0.62500000000000 79.904 > 4 80 Br 0.87500000000000 0.58749178353953 0.62500000000000 79.904 > 4 81 Br 0.12500000000000 0.84969104982126 0.03293830395303 79.904 > 5 82 Br 0.37500000000000 0.84969104982126 0.03293830395303 79.904 > 5 83 Br 0.62500000000000 0.84969104982126 0.03293830395303 79.904 > 5 84 Br 0.87500000000000 0.84969104982126 0.03293830395303 79.904 > 5 85 Br 0.12500000000000 0.84969104982126 0.53293830395303 79.904 > 5 86 Br 0.37500000000000 0.84969104982126 0.53293830395303 79.904 > 5 87 Br 0.62500000000000 0.84969104982126 0.53293830395303 79.904 > 5 88 Br 0.87500000000000 0.84969104982126 0.53293830395303 79.904 > 5 89 Br 0.00000000000000 0.65030895017874 0.46706169604697 79.904 > 6 90 Br 0.25000000000000 0.65030895017874 0.46706169604697 79.904 > 6 91 Br 0.50000000000000 0.65030895017874 0.46706169604697 79.904 > 6 92 Br 0.75000000000000 0.65030895017874 0.46706169604697 79.904 > 6 93 Br 0.00000000000000 0.65030895017874 0.96706169604697 79.904 > 6 94 Br 0.25000000000000 0.65030895017874 0.96706169604697 79.904 > 6 95 Br 0.50000000000000 0.65030895017874 0.96706169604697 79.904 > 6 96 Br 0.75000000000000 0.65030895017874 0.96706169604697 79.904 > 6 *97 Sm 0.12500000000000 0.24147771002181 0.12500000000000 150.360 > 7 98 Sm 0.37500000000000 0.24147771002181 0.12500000000000 150.360 > 7 99 Sm 0.62500000000000 0.24147771002181 0.12500000000000 150.360 > 7 100 Sm 0.87500000000000 0.24147771002181 0.12500000000000 150.360 > 7 101 Sm 0.12500000000000 0.24147771002181 0.62500000000000 150.360 > 7 102 Sm 0.37500000000000 0.24147771002181 0.62500000000000 150.360 > 7 103 Sm 0.62500000000000 0.24147771002181 0.62500000000000 150.360 > 7 104 Sm 0.87500000000000 0.24147771002181 0.62500000000000 150.360 > 7 105 Sm 0.00000000000000 0.25852228997819 0.37500000000000 150.360 > 8 106 Sm 0.25000000000000 0.25852228997819 0.37500000000000 150.360 > 8 107 Sm 0.50000000000000 0.25852228997819 0.37500000000000 150.360 > 8 108 Sm 0.75000000000000 0.25852228997819 0.37500000000000 150.360 > 8 109 Sm 0.00000000000000 0.25852228997819 0.87500000000000 150.360 > 8 110 Sm 0.25000000000000 0.25852228997819 0.87500000000000 150.360 > 8 111 Sm 0.50000000000000 0.25852228997819 0.87500000000000 150.360 > 8 112 Sm 0.75000000000000 0.25852228997819 0.87500000000000 150.360 > 8 113 Sm 0.00000000000000 0.74147771002181 0.12500000000000 150.360 > 7 114 Sm 0.25000000000000 0.74147771002181 0.12500000000000 150.360 > 7 115 Sm 0.50000000000000 0.74147771002181 0.12500000000000 150.360 > 7 116 Sm 0.75000000000000 0.74147771002181 0.12500000000000 150.360 > 7 117 Sm 0.00000000000000 0.74147771002181 0.62500000000000 150.360 > 7 118 Sm 0.25000000000000 0.74147771002181 0.62500000000000 150.360 > 7 119 Sm 0.50000000000000 0.74147771002181 0.62500000000000 150.360 > 7 120 Sm 0.75000000000000 0.74147771002181 0.62500000000000 150.360 > 7 121 Sm 0.12500000000000 0.75852228997819 0.37500000000000 150.360 > 8 122 Sm 0.37500000000000 0.75852228997819 0.37500000000000 150.360 > 8 123 Sm 0.62500000000000 0.75852228997819 0.37500000000000 150.360 > 8 124 Sm 0.87500000000000 0.75852228997819 0.37500000000000 150.360 > 8 125 Sm 0.12500000000000 0.75852228997819 0.87500000000000 150.360 > 8 126 Sm 0.37500000000000 0.75852228997819 0.87500000000000 150.360 > 8 127 Sm 0.62500000000000 0.75852228997819 0.87500000000000 150.360 > 8 128 Sm 0.87500000000000 0.75852228997819 0.87500000000000 150.360 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8611638 0.0000000 0.0000000 0.0000000 3.6103583 0.0000000 0.0000000 0.0000000 4.8717804 -------------------------- Born effective charges -------------------------- 1 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 -0.1392937 0.0000000 -0.0904058 -1.6124910 2 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 -0.1392937 0.0000000 -0.0904058 -1.6124910 3 Br -1.8623495 0.0000000 0.0000000 0.0000000 -1.0667921 0.0000000 0.0000000 0.0000000 -0.5726982 4 Br -1.8623495 0.0000000 0.0000000 0.0000000 -1.0667921 0.0000000 0.0000000 0.0000000 -0.5726982 5 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 0.1392937 0.0000000 0.0904058 -1.6124910 6 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 0.1392937 0.0000000 0.0904058 -1.6124910 7 Sm 4.5657689 0.0000000 0.0000000 0.0000000 2.1841964 0.0000000 0.0000000 0.0000000 3.7976801 8 Sm 4.5657689 0.0000000 0.0000000 0.0000000 2.1841964 0.0000000 0.0000000 0.0000000 3.7976801 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 692 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (692, 681), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (140, 138), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.748 Solver_block: 160 / 160 - Time: 0.491 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.351 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 692 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (692, 681), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (140, 138), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:40:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:41:00]------------------------- 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): [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.996165100000000 -6.602099550000000 0.000000000000000 b 1.996165100000000 6.602099550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.998725080000000 Atomic positions (fractional): 1 Br 0.65030895017874 0.34969104982126 0.43412339209394 79.904 2 Br 0.34969104982126 0.65030895017874 0.56587660790606 79.904 3 Br 0.08749178353953 0.91250821646047 0.75000000000000 79.904 4 Br 0.91250821646047 0.08749178353953 0.25000000000000 79.904 5 Br 0.65030895017874 0.34969104982126 0.06587660790606 79.904 6 Br 0.34969104982126 0.65030895017874 0.93412339209394 79.904 7 Sm 0.25852228997819 0.74147771002181 0.25000000000000 150.360 8 Sm 0.74147771002181 0.25852228997819 0.75000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.969320800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.204199100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.997450160000000 Atomic positions (fractional): 1 Br 0.00000000000000 0.34969104982126 0.21706169604697 79.904 > 1 2 Br 0.25000000000000 0.34969104982126 0.21706169604697 79.904 > 1 3 Br 0.50000000000000 0.34969104982126 0.21706169604697 79.904 > 1 4 Br 0.75000000000000 0.34969104982126 0.21706169604697 79.904 > 1 5 Br 0.00000000000000 0.34969104982126 0.71706169604697 79.904 > 1 6 Br 0.25000000000000 0.34969104982126 0.71706169604697 79.904 > 1 7 Br 0.50000000000000 0.34969104982126 0.71706169604697 79.904 > 1 8 Br 0.75000000000000 0.34969104982126 0.71706169604697 79.904 > 1 9 Br 0.12500000000000 0.15030895017874 0.28293830395303 79.904 > 9 10 Br 0.37500000000000 0.15030895017874 0.28293830395303 79.904 > 9 11 Br 0.62500000000000 0.15030895017874 0.28293830395303 79.904 > 9 12 Br 0.87500000000000 0.15030895017874 0.28293830395303 79.904 > 9 13 Br 0.12500000000000 0.15030895017874 0.78293830395303 79.904 > 9 14 Br 0.37500000000000 0.15030895017874 0.78293830395303 79.904 > 9 15 Br 0.62500000000000 0.15030895017874 0.78293830395303 79.904 > 9 16 Br 0.87500000000000 0.15030895017874 0.78293830395303 79.904 > 9 17 Br 0.12500000000000 0.41250821646047 0.37500000000000 79.904 > 17 18 Br 0.37500000000000 0.41250821646047 0.37500000000000 79.904 > 17 19 Br 0.62500000000000 0.41250821646047 0.37500000000000 79.904 > 17 20 Br 0.87500000000000 0.41250821646047 0.37500000000000 79.904 > 17 21 Br 0.12500000000000 0.41250821646047 0.87500000000000 79.904 > 17 22 Br 0.37500000000000 0.41250821646047 0.87500000000000 79.904 > 17 23 Br 0.62500000000000 0.41250821646047 0.87500000000000 79.904 > 17 24 Br 0.87500000000000 0.41250821646047 0.87500000000000 79.904 > 17 25 Br 0.00000000000000 0.08749178353953 0.12500000000000 79.904 > 25 26 Br 0.25000000000000 0.08749178353953 0.12500000000000 79.904 > 25 27 Br 0.50000000000000 0.08749178353953 0.12500000000000 79.904 > 25 28 Br 0.75000000000000 0.08749178353953 0.12500000000000 79.904 > 25 29 Br 0.00000000000000 0.08749178353953 0.62500000000000 79.904 > 25 30 Br 0.25000000000000 0.08749178353953 0.62500000000000 79.904 > 25 31 Br 0.50000000000000 0.08749178353953 0.62500000000000 79.904 > 25 32 Br 0.75000000000000 0.08749178353953 0.62500000000000 79.904 > 25 33 Br 0.00000000000000 0.34969104982126 0.03293830395303 79.904 > 33 34 Br 0.25000000000000 0.34969104982126 0.03293830395303 79.904 > 33 35 Br 0.50000000000000 0.34969104982126 0.03293830395303 79.904 > 33 36 Br 0.75000000000000 0.34969104982126 0.03293830395303 79.904 > 33 37 Br 0.00000000000000 0.34969104982126 0.53293830395303 79.904 > 33 38 Br 0.25000000000000 0.34969104982126 0.53293830395303 79.904 > 33 39 Br 0.50000000000000 0.34969104982126 0.53293830395303 79.904 > 33 40 Br 0.75000000000000 0.34969104982126 0.53293830395303 79.904 > 33 41 Br 0.12500000000000 0.15030895017874 0.46706169604697 79.904 > 41 42 Br 0.37500000000000 0.15030895017874 0.46706169604697 79.904 > 41 43 Br 0.62500000000000 0.15030895017874 0.46706169604697 79.904 > 41 44 Br 0.87500000000000 0.15030895017874 0.46706169604697 79.904 > 41 45 Br 0.12500000000000 0.15030895017874 0.96706169604697 79.904 > 41 46 Br 0.37500000000000 0.15030895017874 0.96706169604697 79.904 > 41 47 Br 0.62500000000000 0.15030895017874 0.96706169604697 79.904 > 41 48 Br 0.87500000000000 0.15030895017874 0.96706169604697 79.904 > 41 49 Br 0.12500000000000 0.84969104982126 0.21706169604697 79.904 > 1 50 Br 0.37500000000000 0.84969104982126 0.21706169604697 79.904 > 1 51 Br 0.62500000000000 0.84969104982126 0.21706169604697 79.904 > 1 52 Br 0.87500000000000 0.84969104982126 0.21706169604697 79.904 > 1 53 Br 0.12500000000000 0.84969104982126 0.71706169604697 79.904 > 1 54 Br 0.37500000000000 0.84969104982126 0.71706169604697 79.904 > 1 55 Br 0.62500000000000 0.84969104982126 0.71706169604697 79.904 > 1 56 Br 0.87500000000000 0.84969104982126 0.71706169604697 79.904 > 1 57 Br 0.00000000000000 0.65030895017874 0.28293830395303 79.904 > 9 58 Br 0.25000000000000 0.65030895017874 0.28293830395303 79.904 > 9 59 Br 0.50000000000000 0.65030895017874 0.28293830395303 79.904 > 9 60 Br 0.75000000000000 0.65030895017874 0.28293830395303 79.904 > 9 61 Br 0.00000000000000 0.65030895017874 0.78293830395303 79.904 > 9 62 Br 0.25000000000000 0.65030895017874 0.78293830395303 79.904 > 9 63 Br 0.50000000000000 0.65030895017874 0.78293830395303 79.904 > 9 64 Br 0.75000000000000 0.65030895017874 0.78293830395303 79.904 > 9 65 Br 0.00000000000000 0.91250821646047 0.37500000000000 79.904 > 17 66 Br 0.25000000000000 0.91250821646047 0.37500000000000 79.904 > 17 67 Br 0.50000000000000 0.91250821646047 0.37500000000000 79.904 > 17 68 Br 0.75000000000000 0.91250821646047 0.37500000000000 79.904 > 17 69 Br 0.00000000000000 0.91250821646047 0.87500000000000 79.904 > 17 70 Br 0.25000000000000 0.91250821646047 0.87500000000000 79.904 > 17 71 Br 0.50000000000000 0.91250821646047 0.87500000000000 79.904 > 17 72 Br 0.75000000000000 0.91250821646047 0.87500000000000 79.904 > 17 73 Br 0.12500000000000 0.58749178353953 0.12500000000000 79.904 > 25 74 Br 0.37500000000000 0.58749178353953 0.12500000000000 79.904 > 25 75 Br 0.62500000000000 0.58749178353953 0.12500000000000 79.904 > 25 76 Br 0.87500000000000 0.58749178353953 0.12500000000000 79.904 > 25 77 Br 0.12500000000000 0.58749178353953 0.62500000000000 79.904 > 25 78 Br 0.37500000000000 0.58749178353953 0.62500000000000 79.904 > 25 79 Br 0.62500000000000 0.58749178353953 0.62500000000000 79.904 > 25 80 Br 0.87500000000000 0.58749178353953 0.62500000000000 79.904 > 25 81 Br 0.12500000000000 0.84969104982126 0.03293830395303 79.904 > 33 82 Br 0.37500000000000 0.84969104982126 0.03293830395303 79.904 > 33 83 Br 0.62500000000000 0.84969104982126 0.03293830395303 79.904 > 33 84 Br 0.87500000000000 0.84969104982126 0.03293830395303 79.904 > 33 85 Br 0.12500000000000 0.84969104982126 0.53293830395303 79.904 > 33 86 Br 0.37500000000000 0.84969104982126 0.53293830395303 79.904 > 33 87 Br 0.62500000000000 0.84969104982126 0.53293830395303 79.904 > 33 88 Br 0.87500000000000 0.84969104982126 0.53293830395303 79.904 > 33 89 Br 0.00000000000000 0.65030895017874 0.46706169604697 79.904 > 41 90 Br 0.25000000000000 0.65030895017874 0.46706169604697 79.904 > 41 91 Br 0.50000000000000 0.65030895017874 0.46706169604697 79.904 > 41 92 Br 0.75000000000000 0.65030895017874 0.46706169604697 79.904 > 41 93 Br 0.00000000000000 0.65030895017874 0.96706169604697 79.904 > 41 94 Br 0.25000000000000 0.65030895017874 0.96706169604697 79.904 > 41 95 Br 0.50000000000000 0.65030895017874 0.96706169604697 79.904 > 41 96 Br 0.75000000000000 0.65030895017874 0.96706169604697 79.904 > 41 97 Sm 0.12500000000000 0.24147771002181 0.12500000000000 150.360 > 97 98 Sm 0.37500000000000 0.24147771002181 0.12500000000000 150.360 > 97 99 Sm 0.62500000000000 0.24147771002181 0.12500000000000 150.360 > 97 100 Sm 0.87500000000000 0.24147771002181 0.12500000000000 150.360 > 97 101 Sm 0.12500000000000 0.24147771002181 0.62500000000000 150.360 > 97 102 Sm 0.37500000000000 0.24147771002181 0.62500000000000 150.360 > 97 103 Sm 0.62500000000000 0.24147771002181 0.62500000000000 150.360 > 97 104 Sm 0.87500000000000 0.24147771002181 0.62500000000000 150.360 > 97 105 Sm 0.00000000000000 0.25852228997819 0.37500000000000 150.360 > 105 106 Sm 0.25000000000000 0.25852228997819 0.37500000000000 150.360 > 105 107 Sm 0.50000000000000 0.25852228997819 0.37500000000000 150.360 > 105 108 Sm 0.75000000000000 0.25852228997819 0.37500000000000 150.360 > 105 109 Sm 0.00000000000000 0.25852228997819 0.87500000000000 150.360 > 105 110 Sm 0.25000000000000 0.25852228997819 0.87500000000000 150.360 > 105 111 Sm 0.50000000000000 0.25852228997819 0.87500000000000 150.360 > 105 112 Sm 0.75000000000000 0.25852228997819 0.87500000000000 150.360 > 105 113 Sm 0.00000000000000 0.74147771002181 0.12500000000000 150.360 > 97 114 Sm 0.25000000000000 0.74147771002181 0.12500000000000 150.360 > 97 115 Sm 0.50000000000000 0.74147771002181 0.12500000000000 150.360 > 97 116 Sm 0.75000000000000 0.74147771002181 0.12500000000000 150.360 > 97 117 Sm 0.00000000000000 0.74147771002181 0.62500000000000 150.360 > 97 118 Sm 0.25000000000000 0.74147771002181 0.62500000000000 150.360 > 97 119 Sm 0.50000000000000 0.74147771002181 0.62500000000000 150.360 > 97 120 Sm 0.75000000000000 0.74147771002181 0.62500000000000 150.360 > 97 121 Sm 0.12500000000000 0.75852228997819 0.37500000000000 150.360 > 105 122 Sm 0.37500000000000 0.75852228997819 0.37500000000000 150.360 > 105 123 Sm 0.62500000000000 0.75852228997819 0.37500000000000 150.360 > 105 124 Sm 0.87500000000000 0.75852228997819 0.37500000000000 150.360 > 105 125 Sm 0.12500000000000 0.75852228997819 0.87500000000000 150.360 > 105 126 Sm 0.37500000000000 0.75852228997819 0.87500000000000 150.360 > 105 127 Sm 0.62500000000000 0.75852228997819 0.87500000000000 150.360 > 105 128 Sm 0.87500000000000 0.75852228997819 0.87500000000000 150.360 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8611638 0.0000000 0.0000000 0.0000000 3.6103583 0.0000000 0.0000000 0.0000000 4.8717804 -------------------------- Born effective charges -------------------------- 1 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 -0.1392937 0.0000000 -0.0904058 -1.6124910 2 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 -0.1392937 0.0000000 -0.0904058 -1.6124910 3 Br -1.8623495 0.0000000 0.0000000 0.0000000 -1.0667921 0.0000000 0.0000000 0.0000000 -0.5726982 4 Br -1.8623495 0.0000000 0.0000000 0.0000000 -1.0667921 0.0000000 0.0000000 0.0000000 -0.5726982 5 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 0.1392937 0.0000000 0.0904058 -1.6124910 6 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 0.1392937 0.0000000 0.0904058 -1.6124910 7 Sm 4.5657689 0.0000000 0.0000000 0.0000000 2.1841964 0.0000000 0.0000000 0.0000000 3.7976801 8 Sm 4.5657689 0.0000000 0.0000000 0.0000000 2.1841964 0.0000000 0.0000000 0.0000000 3.7976801 ---------------------------------------------------------------------------- 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[ 17, 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:41:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:41:11]------------------------- 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): [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.996165100000000 -6.602099550000000 0.000000000000000 b 1.996165100000000 6.602099550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.998725080000000 Atomic positions (fractional): 1 Br 0.65030895017874 0.34969104982126 0.43412339209394 79.904 2 Br 0.34969104982126 0.65030895017874 0.56587660790606 79.904 3 Br 0.08749178353953 0.91250821646047 0.75000000000000 79.904 4 Br 0.91250821646047 0.08749178353953 0.25000000000000 79.904 5 Br 0.65030895017874 0.34969104982126 0.06587660790606 79.904 6 Br 0.34969104982126 0.65030895017874 0.93412339209394 79.904 7 Sm 0.25852228997819 0.74147771002181 0.25000000000000 150.360 8 Sm 0.74147771002181 0.25852228997819 0.75000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.969320800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.204199100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.997450160000000 Atomic positions (fractional): 1 Br 0.00000000000000 0.34969104982126 0.21706169604697 79.904 > 1 2 Br 0.25000000000000 0.34969104982126 0.21706169604697 79.904 > 1 3 Br 0.50000000000000 0.34969104982126 0.21706169604697 79.904 > 1 4 Br 0.75000000000000 0.34969104982126 0.21706169604697 79.904 > 1 5 Br 0.00000000000000 0.34969104982126 0.71706169604697 79.904 > 1 6 Br 0.25000000000000 0.34969104982126 0.71706169604697 79.904 > 1 7 Br 0.50000000000000 0.34969104982126 0.71706169604697 79.904 > 1 8 Br 0.75000000000000 0.34969104982126 0.71706169604697 79.904 > 1 9 Br 0.12500000000000 0.15030895017874 0.28293830395303 79.904 > 9 10 Br 0.37500000000000 0.15030895017874 0.28293830395303 79.904 > 9 11 Br 0.62500000000000 0.15030895017874 0.28293830395303 79.904 > 9 12 Br 0.87500000000000 0.15030895017874 0.28293830395303 79.904 > 9 13 Br 0.12500000000000 0.15030895017874 0.78293830395303 79.904 > 9 14 Br 0.37500000000000 0.15030895017874 0.78293830395303 79.904 > 9 15 Br 0.62500000000000 0.15030895017874 0.78293830395303 79.904 > 9 16 Br 0.87500000000000 0.15030895017874 0.78293830395303 79.904 > 9 17 Br 0.12500000000000 0.41250821646047 0.37500000000000 79.904 > 17 18 Br 0.37500000000000 0.41250821646047 0.37500000000000 79.904 > 17 19 Br 0.62500000000000 0.41250821646047 0.37500000000000 79.904 > 17 20 Br 0.87500000000000 0.41250821646047 0.37500000000000 79.904 > 17 21 Br 0.12500000000000 0.41250821646047 0.87500000000000 79.904 > 17 22 Br 0.37500000000000 0.41250821646047 0.87500000000000 79.904 > 17 23 Br 0.62500000000000 0.41250821646047 0.87500000000000 79.904 > 17 24 Br 0.87500000000000 0.41250821646047 0.87500000000000 79.904 > 17 25 Br 0.00000000000000 0.08749178353953 0.12500000000000 79.904 > 25 26 Br 0.25000000000000 0.08749178353953 0.12500000000000 79.904 > 25 27 Br 0.50000000000000 0.08749178353953 0.12500000000000 79.904 > 25 28 Br 0.75000000000000 0.08749178353953 0.12500000000000 79.904 > 25 29 Br 0.00000000000000 0.08749178353953 0.62500000000000 79.904 > 25 30 Br 0.25000000000000 0.08749178353953 0.62500000000000 79.904 > 25 31 Br 0.50000000000000 0.08749178353953 0.62500000000000 79.904 > 25 32 Br 0.75000000000000 0.08749178353953 0.62500000000000 79.904 > 25 33 Br 0.00000000000000 0.34969104982126 0.03293830395303 79.904 > 33 34 Br 0.25000000000000 0.34969104982126 0.03293830395303 79.904 > 33 35 Br 0.50000000000000 0.34969104982126 0.03293830395303 79.904 > 33 36 Br 0.75000000000000 0.34969104982126 0.03293830395303 79.904 > 33 37 Br 0.00000000000000 0.34969104982126 0.53293830395303 79.904 > 33 38 Br 0.25000000000000 0.34969104982126 0.53293830395303 79.904 > 33 39 Br 0.50000000000000 0.34969104982126 0.53293830395303 79.904 > 33 40 Br 0.75000000000000 0.34969104982126 0.53293830395303 79.904 > 33 41 Br 0.12500000000000 0.15030895017874 0.46706169604697 79.904 > 41 42 Br 0.37500000000000 0.15030895017874 0.46706169604697 79.904 > 41 43 Br 0.62500000000000 0.15030895017874 0.46706169604697 79.904 > 41 44 Br 0.87500000000000 0.15030895017874 0.46706169604697 79.904 > 41 45 Br 0.12500000000000 0.15030895017874 0.96706169604697 79.904 > 41 46 Br 0.37500000000000 0.15030895017874 0.96706169604697 79.904 > 41 47 Br 0.62500000000000 0.15030895017874 0.96706169604697 79.904 > 41 48 Br 0.87500000000000 0.15030895017874 0.96706169604697 79.904 > 41 49 Br 0.12500000000000 0.84969104982126 0.21706169604697 79.904 > 1 50 Br 0.37500000000000 0.84969104982126 0.21706169604697 79.904 > 1 51 Br 0.62500000000000 0.84969104982126 0.21706169604697 79.904 > 1 52 Br 0.87500000000000 0.84969104982126 0.21706169604697 79.904 > 1 53 Br 0.12500000000000 0.84969104982126 0.71706169604697 79.904 > 1 54 Br 0.37500000000000 0.84969104982126 0.71706169604697 79.904 > 1 55 Br 0.62500000000000 0.84969104982126 0.71706169604697 79.904 > 1 56 Br 0.87500000000000 0.84969104982126 0.71706169604697 79.904 > 1 57 Br 0.00000000000000 0.65030895017874 0.28293830395303 79.904 > 9 58 Br 0.25000000000000 0.65030895017874 0.28293830395303 79.904 > 9 59 Br 0.50000000000000 0.65030895017874 0.28293830395303 79.904 > 9 60 Br 0.75000000000000 0.65030895017874 0.28293830395303 79.904 > 9 61 Br 0.00000000000000 0.65030895017874 0.78293830395303 79.904 > 9 62 Br 0.25000000000000 0.65030895017874 0.78293830395303 79.904 > 9 63 Br 0.50000000000000 0.65030895017874 0.78293830395303 79.904 > 9 64 Br 0.75000000000000 0.65030895017874 0.78293830395303 79.904 > 9 65 Br 0.00000000000000 0.91250821646047 0.37500000000000 79.904 > 17 66 Br 0.25000000000000 0.91250821646047 0.37500000000000 79.904 > 17 67 Br 0.50000000000000 0.91250821646047 0.37500000000000 79.904 > 17 68 Br 0.75000000000000 0.91250821646047 0.37500000000000 79.904 > 17 69 Br 0.00000000000000 0.91250821646047 0.87500000000000 79.904 > 17 70 Br 0.25000000000000 0.91250821646047 0.87500000000000 79.904 > 17 71 Br 0.50000000000000 0.91250821646047 0.87500000000000 79.904 > 17 72 Br 0.75000000000000 0.91250821646047 0.87500000000000 79.904 > 17 73 Br 0.12500000000000 0.58749178353953 0.12500000000000 79.904 > 25 74 Br 0.37500000000000 0.58749178353953 0.12500000000000 79.904 > 25 75 Br 0.62500000000000 0.58749178353953 0.12500000000000 79.904 > 25 76 Br 0.87500000000000 0.58749178353953 0.12500000000000 79.904 > 25 77 Br 0.12500000000000 0.58749178353953 0.62500000000000 79.904 > 25 78 Br 0.37500000000000 0.58749178353953 0.62500000000000 79.904 > 25 79 Br 0.62500000000000 0.58749178353953 0.62500000000000 79.904 > 25 80 Br 0.87500000000000 0.58749178353953 0.62500000000000 79.904 > 25 81 Br 0.12500000000000 0.84969104982126 0.03293830395303 79.904 > 33 82 Br 0.37500000000000 0.84969104982126 0.03293830395303 79.904 > 33 83 Br 0.62500000000000 0.84969104982126 0.03293830395303 79.904 > 33 84 Br 0.87500000000000 0.84969104982126 0.03293830395303 79.904 > 33 85 Br 0.12500000000000 0.84969104982126 0.53293830395303 79.904 > 33 86 Br 0.37500000000000 0.84969104982126 0.53293830395303 79.904 > 33 87 Br 0.62500000000000 0.84969104982126 0.53293830395303 79.904 > 33 88 Br 0.87500000000000 0.84969104982126 0.53293830395303 79.904 > 33 89 Br 0.00000000000000 0.65030895017874 0.46706169604697 79.904 > 41 90 Br 0.25000000000000 0.65030895017874 0.46706169604697 79.904 > 41 91 Br 0.50000000000000 0.65030895017874 0.46706169604697 79.904 > 41 92 Br 0.75000000000000 0.65030895017874 0.46706169604697 79.904 > 41 93 Br 0.00000000000000 0.65030895017874 0.96706169604697 79.904 > 41 94 Br 0.25000000000000 0.65030895017874 0.96706169604697 79.904 > 41 95 Br 0.50000000000000 0.65030895017874 0.96706169604697 79.904 > 41 96 Br 0.75000000000000 0.65030895017874 0.96706169604697 79.904 > 41 97 Sm 0.12500000000000 0.24147771002181 0.12500000000000 150.360 > 97 98 Sm 0.37500000000000 0.24147771002181 0.12500000000000 150.360 > 97 99 Sm 0.62500000000000 0.24147771002181 0.12500000000000 150.360 > 97 100 Sm 0.87500000000000 0.24147771002181 0.12500000000000 150.360 > 97 101 Sm 0.12500000000000 0.24147771002181 0.62500000000000 150.360 > 97 102 Sm 0.37500000000000 0.24147771002181 0.62500000000000 150.360 > 97 103 Sm 0.62500000000000 0.24147771002181 0.62500000000000 150.360 > 97 104 Sm 0.87500000000000 0.24147771002181 0.62500000000000 150.360 > 97 105 Sm 0.00000000000000 0.25852228997819 0.37500000000000 150.360 > 105 106 Sm 0.25000000000000 0.25852228997819 0.37500000000000 150.360 > 105 107 Sm 0.50000000000000 0.25852228997819 0.37500000000000 150.360 > 105 108 Sm 0.75000000000000 0.25852228997819 0.37500000000000 150.360 > 105 109 Sm 0.00000000000000 0.25852228997819 0.87500000000000 150.360 > 105 110 Sm 0.25000000000000 0.25852228997819 0.87500000000000 150.360 > 105 111 Sm 0.50000000000000 0.25852228997819 0.87500000000000 150.360 > 105 112 Sm 0.75000000000000 0.25852228997819 0.87500000000000 150.360 > 105 113 Sm 0.00000000000000 0.74147771002181 0.12500000000000 150.360 > 97 114 Sm 0.25000000000000 0.74147771002181 0.12500000000000 150.360 > 97 115 Sm 0.50000000000000 0.74147771002181 0.12500000000000 150.360 > 97 116 Sm 0.75000000000000 0.74147771002181 0.12500000000000 150.360 > 97 117 Sm 0.00000000000000 0.74147771002181 0.62500000000000 150.360 > 97 118 Sm 0.25000000000000 0.74147771002181 0.62500000000000 150.360 > 97 119 Sm 0.50000000000000 0.74147771002181 0.62500000000000 150.360 > 97 120 Sm 0.75000000000000 0.74147771002181 0.62500000000000 150.360 > 97 121 Sm 0.12500000000000 0.75852228997819 0.37500000000000 150.360 > 105 122 Sm 0.37500000000000 0.75852228997819 0.37500000000000 150.360 > 105 123 Sm 0.62500000000000 0.75852228997819 0.37500000000000 150.360 > 105 124 Sm 0.87500000000000 0.75852228997819 0.37500000000000 150.360 > 105 125 Sm 0.12500000000000 0.75852228997819 0.87500000000000 150.360 > 105 126 Sm 0.37500000000000 0.75852228997819 0.87500000000000 150.360 > 105 127 Sm 0.62500000000000 0.75852228997819 0.87500000000000 150.360 > 105 128 Sm 0.87500000000000 0.75852228997819 0.87500000000000 150.360 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8611638 0.0000000 0.0000000 0.0000000 3.6103583 0.0000000 0.0000000 0.0000000 4.8717804 -------------------------- Born effective charges -------------------------- 1 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 -0.1392937 0.0000000 -0.0904058 -1.6124910 2 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 -0.1392937 0.0000000 -0.0904058 -1.6124910 3 Br -1.8623495 0.0000000 0.0000000 0.0000000 -1.0667921 0.0000000 0.0000000 0.0000000 -0.5726982 4 Br -1.8623495 0.0000000 0.0000000 0.0000000 -1.0667921 0.0000000 0.0000000 0.0000000 -0.5726982 5 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 0.1392937 0.0000000 0.0904058 -1.6124910 6 Br -1.3517097 0.0000000 0.0000000 0.0000000 -0.5587022 0.1392937 0.0000000 0.0904058 -1.6124910 7 Sm 4.5657689 0.0000000 0.0000000 0.0000000 2.1841964 0.0000000 0.0000000 0.0000000 3.7976801 8 Sm 4.5657689 0.0000000 0.0000000 0.0000000 2.1841964 0.0000000 0.0000000 0.0000000 3.7976801 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 ... [ 13 13 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 295, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/196) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 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 1.568 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/196) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( 10.166 -2.858 0.000) 10.560 0.401 ( 20.629 -0.646 0.000) 20.639 0.676 ( 34.003 -1.129 0.000) 34.022 1.588 ( 2.118 0.119 0.000) 2.122 2.049 ( 3.948 0.052 0.000) 3.949 2.050 ( 12.149 -0.073 0.000) 12.149 2.147 ( 1.048 0.172 0.000) 1.062 2.526 ( -2.526 0.018 0.000) 2.526 2.679 ( 2.492 0.398 0.000) 2.523 2.712 ( -7.616 -0.254 0.000) 7.620 3.265 ( 3.251 -0.319 0.000) 3.266 3.330 ( 0.861 -0.125 0.000) 0.870 3.492 ( -3.841 1.584 0.000) 4.154 3.509 ( -2.103 -0.663 0.000) 2.205 3.515 ( 6.959 -0.027 0.000) 6.959 3.997 ( 1.511 0.068 0.000) 1.512 4.320 ( 7.806 0.099 0.000) 7.807 4.332 ( -2.938 -0.098 0.000) 2.940 4.641 ( -3.492 0.450 0.000) 3.521 4.834 ( -5.603 0.244 0.000) 5.608 4.995 ( -0.683 0.063 0.000) 0.686 5.107 ( -3.108 -0.596 0.000) 3.164 5.230 ( 3.129 22.729 0.000) 22.944 5.725 ( -1.910 -0.248 0.000) 1.926 ======================= Grid point 2 (3/196) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 12.399 -1.543 0.000) 12.494 0.802 ( 20.606 -0.591 0.000) 20.614 1.306 ( 30.092 -0.584 0.000) 30.097 1.651 ( 4.833 0.234 0.000) 4.839 2.143 ( 4.994 0.260 0.000) 5.001 2.180 ( 2.546 0.050 0.000) 2.546 2.344 ( 17.051 0.030 0.000) 17.051 2.473 ( -2.234 0.050 0.000) 2.235 2.535 ( -9.942 -0.043 0.000) 9.942 2.729 ( 2.182 0.397 0.000) 2.218 3.334 ( 1.696 -0.658 0.000) 1.819 3.362 ( 2.432 -0.179 0.000) 2.439 3.424 ( -0.712 2.066 0.000) 2.185 3.470 ( -1.641 -1.612 0.000) 2.300 3.669 ( 8.409 -0.108 0.000) 8.410 4.033 ( 2.125 0.342 0.000) 2.153 4.251 ( -5.493 -0.167 0.000) 5.495 4.487 ( 8.077 1.049 0.000) 8.145 4.547 ( -5.232 -0.068 0.000) 5.232 4.681 ( -9.733 0.454 0.000) 9.744 4.975 ( -1.517 -0.016 0.000) 1.517 5.028 ( -5.238 -0.741 0.000) 5.290 5.113 ( -7.445 1.863 0.000) 7.675 5.694 ( 1.275 7.755 0.000) 7.859 ======================= Grid point 3 (4/196) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 13.976 0.503 0.000) 13.985 1.200 ( 20.243 -0.470 0.000) 20.248 1.687 ( 6.962 1.037 0.000) 7.039 1.907 ( 23.778 -0.268 0.000) 23.779 2.187 ( -1.335 0.088 0.000) 1.338 2.239 ( 3.376 0.141 0.000) 3.379 2.347 ( -9.022 -0.054 0.000) 9.023 2.491 ( 5.183 0.115 0.000) 5.184 2.665 ( 15.495 0.148 0.000) 15.495 2.744 ( -0.606 0.480 0.000) 0.773 3.319 ( -1.234 0.115 0.000) 1.240 3.394 ( -2.594 -1.326 0.000) 2.913 3.425 ( 3.804 -0.064 0.000) 3.804 3.541 ( 6.686 -0.468 0.000) 6.702 3.824 ( 7.345 -0.184 0.000) 7.347 4.068 ( 1.522 0.542 0.000) 1.616 4.127 ( -7.410 -0.208 0.000) 7.413 4.411 ( -7.114 0.052 0.000) 7.114 4.470 ( -11.366 0.631 0.000) 11.384 4.599 ( -0.527 -0.249 0.000) 0.583 4.910 ( -4.075 -0.599 0.000) 4.119 4.926 ( -5.441 -0.596 0.000) 5.474 5.004 ( -1.650 -0.990 0.000) 1.924 5.682 ( 1.747 7.516 0.000) 7.716 ======================= Grid point 4 (5/196) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 14.516 2.504 0.000) 14.730 1.583 ( 19.125 -0.291 0.000) 19.127 1.768 ( 2.765 1.324 0.000) 3.066 2.111 ( -5.426 -0.188 0.000) 5.429 2.171 ( -7.425 0.273 0.000) 7.430 2.337 ( 19.593 0.629 0.000) 19.603 2.345 ( 6.009 -0.143 0.000) 6.010 2.636 ( 8.512 0.190 0.000) 8.514 2.698 ( -3.792 0.385 0.000) 3.811 2.915 ( 9.945 0.299 0.000) 9.950 3.323 ( 1.902 -1.144 0.000) 2.219 3.366 ( -0.805 -1.904 0.000) 2.067 3.492 ( 2.601 0.220 0.000) 2.610 3.677 ( 6.606 -0.502 0.000) 6.625 3.948 ( 4.968 -0.190 0.000) 4.972 3.973 ( -8.260 -0.299 0.000) 8.265 4.073 ( -1.139 0.249 0.000) 1.165 4.258 ( -9.476 0.723 0.000) 9.504 4.280 ( -6.045 -0.192 0.000) 6.048 4.445 ( -12.957 -2.438 0.000) 13.184 4.831 ( -4.118 -0.237 0.000) 4.125 4.899 ( 0.004 0.812 0.000) 0.812 5.047 ( 5.807 -0.095 0.000) 5.808 5.662 ( -0.252 5.079 0.000) 5.085 ======================= Grid point 5 (6/196) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 14.171 3.275 0.000) 14.544 1.768 ( -2.440 0.955 0.000) 2.620 1.931 ( 16.576 -0.063 0.000) 16.576 2.009 ( -4.654 -0.075 0.000) 4.654 2.051 ( -4.693 0.057 0.000) 4.693 2.485 ( 8.175 -0.428 0.000) 8.186 2.596 ( -6.597 0.225 0.000) 6.601 2.646 ( 13.268 1.086 0.000) 13.313 2.775 ( 5.050 0.343 0.000) 5.061 3.022 ( 1.229 0.094 0.000) 1.233 3.396 ( 3.297 -1.218 0.000) 3.515 3.418 ( 6.092 -2.263 0.000) 6.498 3.511 ( 0.021 0.548 0.000) 0.548 3.781 ( 3.163 -1.037 0.000) 3.329 3.804 ( -8.894 -0.318 0.000) 8.899 4.008 ( -5.552 -0.664 0.000) 5.592 4.029 ( 2.922 -0.291 0.000) 2.937 4.121 ( -4.077 0.614 0.000) 4.123 4.194 ( -2.912 0.456 0.000) 2.948 4.224 ( -9.673 -1.507 0.000) 9.790 4.777 ( -1.447 -0.251 0.000) 1.469 4.871 ( -2.037 0.878 0.000) 2.219 5.193 ( 8.564 0.277 0.000) 8.568 5.605 ( -3.301 2.978 0.000) 4.446 ======================= Grid point 6 (7/196) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 12.226 2.315 0.000) 12.443 1.661 ( -8.198 -0.479 0.000) 8.212 1.943 ( -1.798 0.026 0.000) 1.798 1.987 ( -1.657 -0.013 0.000) 1.657 2.222 ( 13.109 0.004 0.000) 13.109 2.440 ( -9.519 0.058 0.000) 9.519 2.656 ( 8.602 -0.717 0.000) 8.632 2.790 ( -3.576 0.644 0.000) 3.634 2.851 ( 8.985 1.120 0.000) 9.055 2.982 ( -5.001 -0.764 0.000) 5.059 3.485 ( 4.639 0.063 0.000) 4.640 3.530 ( 3.333 0.564 0.000) 3.380 3.530 ( 2.272 -1.428 0.000) 2.683 3.643 ( -7.621 -0.415 0.000) 7.633 3.812 ( 1.074 -1.155 0.000) 1.577 3.893 ( -6.008 -0.235 0.000) 6.013 4.066 ( 0.852 -0.296 0.000) 0.902 4.081 ( -0.507 0.392 0.000) 0.641 4.125 ( -1.196 -0.120 0.000) 1.202 4.149 ( -1.729 0.390 0.000) 1.773 4.778 ( 1.151 -0.586 0.000) 1.292 4.821 ( -2.415 0.855 0.000) 2.562 5.356 ( 8.054 -0.366 0.000) 8.063 5.500 ( -6.159 1.487 0.000) 6.336 ======================= Grid point 14 (8/196) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 13.179 0.000 0.000) 13.179 0.799 ( 20.717 0.000 0.000) 20.717 1.302 ( 30.466 0.000 0.000) 30.466 1.652 ( 4.784 0.000 0.000) 4.784 2.145 ( 5.128 0.000 0.000) 5.128 2.180 ( 2.359 0.000 0.000) 2.359 2.344 ( 17.088 0.000 0.000) 17.088 2.473 ( -2.229 -0.000 0.000) 2.229 2.535 ( -9.929 -0.000 0.000) 9.929 2.732 ( 2.185 0.000 0.000) 2.185 3.330 ( 1.973 0.000 0.000) 1.973 3.361 ( 2.464 0.000 0.000) 2.464 3.448 ( 0.518 0.000 0.000) 0.518 3.449 ( -3.510 -0.000 0.000) 3.510 3.669 ( 8.398 0.000 0.000) 8.398 4.035 ( 2.161 0.000 0.000) 2.161 4.250 ( -5.484 -0.000 0.000) 5.484 4.493 ( 8.979 0.000 0.000) 8.979 4.546 ( -6.232 -0.000 0.000) 6.232 4.684 ( -9.738 -0.000 0.000) 9.738 4.975 ( -1.542 -0.000 0.000) 1.542 5.024 ( -5.084 -0.000 0.000) 5.084 5.123 ( -10.628 -0.000 0.000) 10.628 5.744 ( 0.921 0.000 0.000) 0.921 ======================= Grid point 15 (9/196) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 14.846 0.207 0.000) 14.848 1.196 ( 20.363 -0.168 0.000) 20.363 1.695 ( 7.029 0.372 0.000) 7.038 1.905 ( 24.161 -0.097 0.000) 24.161 2.188 ( -1.652 0.044 0.000) 1.652 2.240 ( 3.688 0.028 0.000) 3.689 2.347 ( -9.108 -0.011 0.000) 9.108 2.492 ( 5.196 0.041 0.000) 5.196 2.666 ( 15.505 0.040 0.000) 15.505 2.748 ( -0.667 0.174 0.000) 0.689 3.321 ( -1.287 0.141 0.000) 1.295 3.382 ( -3.199 -0.585 0.000) 3.252 3.425 ( 3.900 -0.022 0.000) 3.900 3.536 ( 6.809 -0.197 0.000) 6.812 3.823 ( 7.339 -0.068 0.000) 7.339 4.072 ( 1.484 0.192 0.000) 1.496 4.125 ( -7.400 -0.073 0.000) 7.400 4.411 ( -7.400 0.023 0.000) 7.400 4.475 ( -11.377 0.226 0.000) 11.379 4.596 ( -1.678 -0.131 0.000) 1.683 4.906 ( -3.423 -0.193 0.000) 3.429 4.921 ( -5.361 -0.217 0.000) 5.365 4.997 ( -1.164 -0.324 0.000) 1.208 5.744 ( -0.039 2.828 0.000) 2.828 ======================= Grid point 16 (10/196) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 15.033 1.393 0.000) 15.098 1.580 ( 19.246 -0.161 0.000) 19.247 1.780 ( 2.706 0.738 0.000) 2.805 2.109 ( -5.396 -0.089 0.000) 5.397 2.173 ( -7.554 0.125 0.000) 7.555 2.343 ( 19.926 0.376 0.000) 19.930 2.344 ( 5.959 -0.074 0.000) 5.960 2.638 ( 8.555 0.105 0.000) 8.555 2.702 ( -3.901 0.222 0.000) 3.907 2.917 ( 10.009 0.135 0.000) 10.010 3.314 ( 1.197 -0.407 0.000) 1.265 3.346 ( -0.658 -1.327 0.000) 1.481 3.494 ( 2.751 0.127 0.000) 2.754 3.672 ( 6.532 -0.315 0.000) 6.540 3.946 ( 5.171 -0.120 0.000) 5.173 3.971 ( -8.472 -0.152 0.000) 8.473 4.075 ( -1.572 0.112 0.000) 1.576 4.265 ( -9.537 0.401 0.000) 9.546 4.278 ( -5.830 -0.078 0.000) 5.830 4.423 ( -12.900 -1.361 0.000) 12.971 4.829 ( -4.009 -0.126 0.000) 4.011 4.906 ( 0.003 0.408 0.000) 0.408 5.046 ( 6.334 -0.001 0.000) 6.334 5.710 ( -1.841 2.908 0.000) 3.442 ======================= Grid point 17 (11/196) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 13.926 2.247 0.000) 14.106 1.777 ( -2.989 0.668 0.000) 3.063 1.931 ( 16.759 -0.046 0.000) 16.759 2.009 ( -4.585 0.019 0.000) 4.585 2.051 ( -4.861 -0.039 0.000) 4.861 2.481 ( 8.025 -0.294 0.000) 8.031 2.598 ( -6.722 0.155 0.000) 6.724 2.657 ( 13.333 0.828 0.000) 13.358 2.779 ( 5.166 0.246 0.000) 5.172 3.022 ( 0.796 0.026 0.000) 0.797 3.384 ( 3.984 -0.819 0.000) 4.067 3.395 ( 6.181 -1.662 0.000) 6.400 3.517 ( 0.125 0.399 0.000) 0.418 3.770 ( 2.791 -0.767 0.000) 2.895 3.801 ( -8.934 -0.227 0.000) 8.937 4.001 ( -5.722 -0.482 0.000) 5.742 4.026 ( 2.918 -0.206 0.000) 2.925 4.127 ( -4.212 0.425 0.000) 4.234 4.198 ( -3.220 0.280 0.000) 3.232 4.209 ( -8.159 -0.979 0.000) 8.218 4.775 ( -1.549 -0.169 0.000) 1.558 4.880 ( -2.059 0.559 0.000) 2.133 5.196 ( 8.414 0.227 0.000) 8.417 5.636 ( -4.371 2.127 0.000) 4.861 ======================= Grid point 18 (12/196) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 11.293 1.929 0.000) 11.457 1.655 ( -9.274 -0.516 0.000) 9.289 1.944 ( -1.771 0.143 0.000) 1.777 1.986 ( -1.705 -0.145 0.000) 1.711 2.222 ( 13.139 0.013 0.000) 13.139 2.440 ( -9.606 0.050 0.000) 9.606 2.648 ( 8.543 -0.590 0.000) 8.564 2.797 ( -3.444 0.530 0.000) 3.485 2.863 ( 8.917 0.985 0.000) 8.971 2.973 ( -5.356 -0.662 0.000) 5.397 3.486 ( 5.280 0.217 0.000) 5.285 3.514 ( 3.241 -1.251 0.000) 3.474 3.536 ( 3.268 0.516 0.000) 3.308 3.638 ( -7.704 -0.382 0.000) 7.713 3.799 ( 1.621 -0.990 0.000) 1.900 3.890 ( -5.402 -0.258 0.000) 5.408 4.063 ( 0.875 -0.265 0.000) 0.915 4.085 ( -0.650 0.334 0.000) 0.730 4.124 ( -0.876 -0.079 0.000) 0.880 4.153 ( -2.068 0.313 0.000) 2.091 4.772 ( 0.955 -0.481 0.000) 1.070 4.830 ( -2.507 0.683 0.000) 2.598 5.352 ( 7.531 -0.293 0.000) 7.536 5.516 ( -6.907 1.239 0.000) 7.017 ======================= Grid point 19 (13/196) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -13.370 -2.204 0.000) 13.550 1.666 ( 7.201 0.342 0.000) 7.209 1.944 ( 1.816 0.116 0.000) 1.820 1.986 ( 1.615 -0.142 0.000) 1.621 2.222 ( -13.083 0.007 0.000) 13.083 2.439 ( 9.435 -0.053 0.000) 9.435 2.664 ( -8.672 0.682 0.000) 8.699 2.782 ( 3.725 -0.613 0.000) 3.775 2.838 ( -9.023 -0.993 0.000) 9.077 2.991 ( 4.563 0.683 0.000) 4.613 3.485 ( -3.859 0.102 0.000) 3.860 3.524 ( -3.456 -0.485 0.000) 3.490 3.546 ( -1.437 1.305 0.000) 1.941 3.648 ( 7.588 0.359 0.000) 7.597 3.825 ( -0.416 1.082 0.000) 1.159 3.895 ( 6.736 0.111 0.000) 6.737 4.069 ( -0.596 0.166 0.000) 0.619 4.077 ( 0.124 -0.271 0.000) 0.298 4.126 ( 1.445 0.165 0.000) 1.454 4.144 ( 1.405 -0.399 0.000) 1.461 4.785 ( -1.324 0.559 0.000) 1.437 4.811 ( 2.262 -0.836 0.000) 2.411 5.360 ( -8.602 0.358 0.000) 8.609 5.483 ( 5.368 -1.394 0.000) 5.546 ======================= Grid point 20 (14/196) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -14.491 -3.620 0.000) 14.937 1.756 ( 1.798 -1.030 0.000) 2.072 1.932 ( -16.321 0.065 0.000) 16.321 2.011 ( 4.673 0.230 0.000) 4.679 2.049 ( 4.514 -0.222 0.000) 4.519 2.490 ( -8.361 0.474 0.000) 8.374 2.593 ( 6.452 -0.250 0.000) 6.457 2.633 ( -13.200 -1.068 0.000) 13.244 2.771 ( -4.902 -0.358 0.000) 4.915 3.020 ( -1.725 -0.163 0.000) 1.733 3.411 ( -2.594 1.362 0.000) 2.930 3.446 ( -5.926 2.320 0.000) 6.364 3.504 ( 0.094 -0.565 0.000) 0.572 3.793 ( -3.641 1.042 0.000) 3.787 3.808 ( 8.858 0.337 0.000) 8.864 4.016 ( 5.272 0.679 0.000) 5.315 4.033 ( -2.927 0.312 0.000) 2.943 4.113 ( 3.911 -0.673 0.000) 3.968 4.188 ( 3.168 -0.492 0.000) 3.206 4.243 ( 11.007 1.701 0.000) 11.137 4.781 ( 1.322 0.290 0.000) 1.354 4.860 ( 1.951 -1.060 0.000) 2.220 5.190 ( -8.700 -0.236 0.000) 8.703 5.569 ( 2.027 -3.140 0.000) 3.738 ======================= Grid point 21 (15/196) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -13.680 -3.067 0.000) 14.019 1.587 ( -18.951 0.361 0.000) 18.955 1.751 ( -2.870 -1.625 0.000) 3.298 2.113 ( 5.446 0.301 0.000) 5.454 2.166 ( 7.253 -0.439 0.000) 7.267 2.329 ( -19.158 -0.722 0.000) 19.172 2.347 ( -6.070 0.192 0.000) 6.073 2.633 ( -8.425 -0.239 0.000) 8.428 2.694 ( 3.614 -0.448 0.000) 3.642 2.911 ( -9.880 -0.440 0.000) 9.890 3.340 ( -2.643 1.717 0.000) 3.151 3.389 ( 0.779 1.935 0.000) 2.086 3.489 ( -2.391 -0.256 0.000) 2.404 3.683 ( -6.751 0.490 0.000) 6.769 3.950 ( -4.576 0.195 0.000) 4.580 3.977 ( 7.857 0.410 0.000) 7.868 4.069 ( 0.565 -0.387 0.000) 0.685 4.249 ( 9.390 -0.897 0.000) 9.432 4.283 ( 6.307 0.313 0.000) 6.315 4.477 ( 12.934 3.002 0.000) 13.278 4.834 ( 4.289 0.307 0.000) 4.300 4.887 ( 0.135 -1.105 0.000) 1.114 5.049 ( -5.049 0.270 0.000) 5.056 5.596 ( -1.906 -6.035 0.000) 6.329 ======================= Grid point 22 (16/196) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -12.292 -0.452 0.000) 12.300 1.206 ( -20.032 0.673 0.000) 20.043 1.672 ( -6.816 -1.492 0.000) 6.977 1.911 ( -23.141 0.345 0.000) 23.143 2.187 ( 0.867 -0.037 0.000) 0.867 2.236 ( -2.892 -0.356 0.000) 2.914 2.348 ( 8.853 0.134 0.000) 8.854 2.489 ( -5.164 -0.163 0.000) 5.167 2.662 ( -15.470 -0.288 0.000) 15.473 2.737 ( 0.497 -0.669 0.000) 0.834 3.320 ( 0.785 0.230 0.000) 0.818 3.410 ( 1.910 1.447 0.000) 2.397 3.426 ( -3.635 0.095 0.000) 3.636 3.546 ( -6.595 0.437 0.000) 6.610 3.827 ( -7.354 0.251 0.000) 7.359 4.060 ( -1.580 -0.793 0.000) 1.768 4.130 ( 7.427 0.313 0.000) 7.434 4.410 ( 6.605 -0.047 0.000) 6.605 4.461 ( 11.351 -0.906 0.000) 11.387 4.601 ( -1.365 0.080 0.000) 1.368 4.919 ( 4.738 0.957 0.000) 4.834 4.934 ( 5.698 0.837 0.000) 5.760 5.020 ( 2.625 1.710 0.000) 3.133 5.577 ( -4.210 -9.933 0.000) 10.788 ======================= Grid point 23 (17/196) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -10.312 3.011 0.000) 10.743 0.812 ( -20.305 1.045 0.000) 20.332 1.315 ( -29.050 0.949 0.000) 29.065 1.647 ( -4.974 -0.369 0.000) 4.988 2.139 ( -4.723 -0.348 0.000) 4.736 2.178 ( -2.956 -0.215 0.000) 2.964 2.343 ( -16.950 -0.108 0.000) 16.950 2.472 ( 2.243 -0.110 0.000) 2.245 2.536 ( 9.979 0.112 0.000) 9.980 2.723 ( -2.182 -0.707 0.000) 2.293 3.343 ( -0.708 0.631 0.000) 0.948 3.365 ( -2.347 0.317 0.000) 2.368 3.402 ( -1.024 -1.525 0.000) 1.837 3.485 ( 1.300 0.874 0.000) 1.567 3.671 ( -8.441 0.187 0.000) 8.443 4.027 ( -2.025 -0.611 0.000) 2.116 4.254 ( 5.515 0.306 0.000) 5.524 4.472 ( -7.028 -1.290 0.000) 7.145 4.544 ( 3.596 -0.820 0.000) 3.688 4.673 ( 9.721 -0.810 0.000) 9.754 4.974 ( 1.178 -0.150 0.000) 1.188 5.039 ( 4.972 0.659 0.000) 5.016 5.079 ( -0.920 -3.540 0.000) 3.657 5.592 ( 1.488 -8.452 0.000) 8.582 ======================= Grid point 24 (18/196) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( -7.275 6.623 0.000) 9.839 0.415 ( -19.901 1.738 0.000) 19.977 0.701 ( -32.485 2.952 0.000) 32.619 1.586 ( -2.032 -0.233 0.000) 2.045 2.047 ( -3.925 -0.121 0.000) 3.927 2.051 ( -12.056 0.156 0.000) 12.057 2.143 ( -1.120 -0.499 0.000) 1.226 2.525 ( 2.543 -0.063 0.000) 2.544 2.671 ( -2.029 -0.862 0.000) 2.205 2.717 ( 7.199 0.471 0.000) 7.214 3.271 ( -3.556 0.456 0.000) 3.585 3.333 ( -0.841 0.348 0.000) 0.910 3.468 ( 4.147 -2.411 0.000) 4.797 3.512 ( 0.960 -0.142 0.000) 0.971 3.515 ( -7.002 0.074 0.000) 7.002 3.996 ( -1.344 -0.220 0.000) 1.362 4.318 ( -7.413 -0.227 0.000) 7.417 4.335 ( 2.950 0.276 0.000) 2.963 4.616 ( -0.603 -5.883 0.000) 5.914 4.828 ( 5.592 -0.675 0.000) 5.632 4.879 ( -28.973 -26.202 0.000) 39.064 5.001 ( -0.180 -0.442 0.000) 0.478 5.121 ( 3.243 1.730 0.000) 3.676 5.729 ( 8.832 0.372 0.000) 8.840 ======================= Grid point 25 (19/196) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.078 ( 0.000 6.552 0.000) 6.552 0.105 ( 0.000 8.829 0.000) 8.829 0.153 ( 0.000 12.867 0.000) 12.867 1.568 ( 0.000 0.010 0.000) 0.010 1.925 ( 0.000 0.188 0.000) 0.188 2.008 ( -0.000 -0.081 0.000) 0.081 2.136 ( -0.000 -0.395 0.000) 0.395 2.554 ( 0.000 0.004 0.000) 0.004 2.647 ( -0.000 -0.579 0.000) 0.579 2.798 ( 0.000 0.332 0.000) 0.332 3.229 ( -0.000 -0.396 0.000) 0.396 3.324 ( 0.000 0.258 0.000) 0.258 3.438 ( 0.000 0.002 0.000) 0.002 3.491 ( -0.000 -0.421 0.000) 0.421 3.546 ( -0.000 -2.151 0.000) 2.151 3.928 ( 0.000 0.136 0.000) 0.136 3.982 ( 0.000 0.076 0.000) 0.076 4.237 ( 0.000 0.230 0.000) 0.230 4.362 ( 0.000 0.202 0.000) 0.202 4.681 ( 0.000 0.603 0.000) 0.603 4.887 ( -0.000 -0.484 0.000) 0.484 5.004 ( 0.000 0.166 0.000) 0.166 5.143 ( 0.000 1.334 0.000) 1.334 5.858 ( -0.000 -0.007 0.000) 0.007 ======================= Grid point 28 (20/196) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 15.208 0.000 0.000) 15.208 1.579 ( 19.290 0.000 0.000) 19.290 1.785 ( 2.688 0.000 0.000) 2.688 2.109 ( -5.382 -0.000 0.000) 5.382 2.174 ( -7.601 -0.000 0.000) 7.601 2.343 ( 5.940 0.000 0.000) 5.940 2.345 ( 20.051 0.000 0.000) 20.051 2.638 ( 8.567 0.000 0.000) 8.567 2.703 ( -3.937 -0.000 0.000) 3.937 2.918 ( 10.035 0.000 0.000) 10.035 3.313 ( 0.855 0.000 0.000) 0.855 3.338 ( -0.518 -0.000 0.000) 0.518 3.495 ( 2.805 0.000 0.000) 2.805 3.670 ( 6.510 0.000 0.000) 6.510 3.945 ( 5.222 0.000 0.000) 5.222 3.970 ( -8.526 -0.000 0.000) 8.526 4.076 ( -1.733 -0.000 0.000) 1.733 4.267 ( -9.559 -0.000 0.000) 9.559 4.278 ( -5.745 -0.000 0.000) 5.745 4.415 ( -12.869 -0.000 0.000) 12.869 4.828 ( -3.972 -0.000 0.000) 3.972 4.908 ( -0.012 -0.000 0.000) 0.012 5.046 ( 6.521 0.000 0.000) 6.521 5.727 ( -2.431 -0.000 0.000) 2.431 ======================= Grid point 29 (21/196) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 13.796 0.796 0.000) 13.819 1.783 ( -3.307 0.239 0.000) 3.316 1.930 ( 16.851 -0.017 0.000) 16.851 2.009 ( -4.519 0.022 0.000) 4.519 2.050 ( -4.970 -0.030 0.000) 4.970 2.478 ( 7.942 -0.104 0.000) 7.943 2.599 ( -6.793 0.055 0.000) 6.793 2.664 ( 13.372 0.313 0.000) 13.375 2.781 ( 5.230 0.089 0.000) 5.230 3.023 ( 0.545 -0.000 0.000) 0.545 3.377 ( 4.477 -0.275 0.000) 4.485 3.381 ( 6.151 -0.624 0.000) 6.182 3.520 ( 0.188 0.146 0.000) 0.238 3.764 ( 2.590 -0.283 0.000) 2.605 3.799 ( -8.962 -0.082 0.000) 8.962 3.997 ( -5.797 -0.176 0.000) 5.800 4.025 ( 2.915 -0.074 0.000) 2.916 4.130 ( -4.287 0.152 0.000) 4.290 4.199 ( -7.479 -0.174 0.000) 7.481 4.203 ( -3.257 -0.070 0.000) 3.258 4.774 ( -1.606 -0.060 0.000) 1.607 4.884 ( -2.052 0.189 0.000) 2.060 5.198 ( 8.315 0.088 0.000) 8.316 5.653 ( -4.983 0.771 0.000) 5.042 ======================= Grid point 30 (22/196) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 10.796 1.112 0.000) 10.853 1.650 ( -10.199 -0.357 0.000) 10.205 1.946 ( -1.742 0.143 0.000) 1.748 1.984 ( -1.746 -0.149 0.000) 1.753 2.223 ( 13.163 0.011 0.000) 13.163 2.441 ( -9.672 0.029 0.000) 9.672 2.643 ( 8.505 -0.332 0.000) 8.511 2.802 ( -3.352 0.298 0.000) 3.366 2.873 ( 8.847 0.582 0.000) 8.866 2.967 ( -5.577 -0.385 0.000) 5.590 3.489 ( 5.581 0.320 0.000) 5.591 3.502 ( 4.138 -0.864 0.000) 4.227 3.541 ( 3.272 0.317 0.000) 3.288 3.635 ( -7.814 -0.237 0.000) 7.817 3.790 ( 1.958 -0.579 0.000) 2.042 3.888 ( -5.007 -0.165 0.000) 5.010 4.061 ( 0.866 -0.154 0.000) 0.880 4.088 ( -0.725 0.188 0.000) 0.749 4.123 ( -0.618 -0.039 0.000) 0.620 4.156 ( -2.309 0.174 0.000) 2.316 4.768 ( 0.806 -0.269 0.000) 0.850 4.836 ( -2.549 0.376 0.000) 2.577 5.349 ( 7.154 -0.161 0.000) 7.156 5.528 ( -7.439 0.702 0.000) 7.472 ======================= Grid point 31 (23/196) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -14.390 -1.588 0.000) 14.477 1.669 ( 6.437 0.189 0.000) 6.440 1.945 ( 1.826 0.183 0.000) 1.835 1.984 ( 1.583 -0.210 0.000) 1.597 2.222 ( -13.065 0.011 0.000) 13.065 2.439 ( 9.370 -0.037 0.000) 9.370 2.671 ( -8.741 0.490 0.000) 8.755 2.776 ( 3.860 -0.440 0.000) 3.885 2.828 ( -9.032 -0.672 0.000) 9.057 2.997 ( 4.153 0.461 0.000) 4.179 3.486 ( -3.172 0.166 0.000) 3.176 3.519 ( -3.583 -0.322 0.000) 3.598 3.560 ( -0.857 0.905 0.000) 1.247 3.651 ( 7.587 0.241 0.000) 7.591 3.836 ( 0.156 0.795 0.000) 0.810 3.896 ( 7.442 -0.019 0.000) 7.443 4.069 ( 0.185 -0.150 0.000) 0.239 4.076 ( -0.764 0.067 0.000) 0.767 4.129 ( 1.521 0.204 0.000) 1.534 4.140 ( 1.222 -0.354 0.000) 1.273 4.791 ( -1.360 0.405 0.000) 1.419 4.802 ( 2.010 -0.616 0.000) 2.103 5.364 ( -9.049 0.263 0.000) 9.053 5.469 ( 4.716 -0.986 0.000) 4.818 ======================= Grid point 32 (24/196) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -14.820 -3.121 0.000) 15.145 1.745 ( 1.214 -0.866 0.000) 1.491 1.933 ( -16.046 0.052 0.000) 16.046 2.014 ( 4.648 0.371 0.000) 4.662 2.045 ( 4.349 -0.374 0.000) 4.365 2.496 ( -8.549 0.410 0.000) 8.559 2.590 ( 6.327 -0.219 0.000) 6.330 2.622 ( -13.150 -0.831 0.000) 13.176 2.767 ( -4.755 -0.291 0.000) 4.764 3.018 ( -2.164 -0.176 0.000) 2.172 3.426 ( -2.027 1.179 0.000) 2.344 3.470 ( -5.734 1.870 0.000) 6.032 3.498 ( 0.193 -0.456 0.000) 0.495 3.804 ( -4.124 0.816 0.000) 4.204 3.812 ( 8.836 0.282 0.000) 8.841 4.023 ( 4.908 0.536 0.000) 4.937 4.036 ( -2.933 0.265 0.000) 2.945 4.106 ( 3.753 -0.580 0.000) 3.797 4.183 ( 3.569 -0.407 0.000) 3.592 4.262 ( 12.262 1.492 0.000) 12.353 4.784 ( 1.206 0.275 0.000) 1.237 4.847 ( 1.800 -0.998 0.000) 2.058 5.188 ( -8.780 -0.149 0.000) 8.781 5.535 ( 0.838 -2.590 0.000) 2.722 ======================= Grid point 33 (25/196) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -12.616 -2.917 0.000) 12.949 1.591 ( -18.763 0.352 0.000) 18.767 1.732 ( -3.012 -1.561 0.000) 3.392 2.118 ( 5.420 0.412 0.000) 5.436 2.160 ( 7.101 -0.578 0.000) 7.124 2.320 ( -18.749 -0.666 0.000) 18.761 2.349 ( -6.126 0.200 0.000) 6.129 2.631 ( -8.291 -0.236 0.000) 8.294 2.688 ( 3.388 -0.403 0.000) 3.411 2.905 ( -9.838 -0.474 0.000) 9.849 3.362 ( -3.270 1.862 0.000) 3.763 3.410 ( 0.632 1.580 0.000) 1.702 3.486 ( -2.168 -0.233 0.000) 2.181 3.688 ( -6.982 0.320 0.000) 6.989 3.952 ( -4.117 0.158 0.000) 4.120 3.982 ( 7.390 0.432 0.000) 7.402 4.064 ( 0.006 -0.453 0.000) 0.454 4.238 ( 9.296 -0.874 0.000) 9.337 4.287 ( 6.536 0.366 0.000) 6.546 4.513 ( 12.715 2.900 0.000) 13.041 4.838 ( 4.483 0.309 0.000) 4.493 4.874 ( 0.555 -1.137 0.000) 1.265 5.053 ( -4.197 0.425 0.000) 4.218 5.527 ( -4.148 -5.645 0.000) 7.005 ======================= Grid point 34 (26/196) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -9.958 -0.023 0.000) 9.958 1.215 ( -19.779 0.728 0.000) 19.793 1.653 ( -6.629 -1.649 0.000) 6.831 1.915 ( -22.440 0.279 0.000) 22.442 2.187 ( 0.419 0.110 0.000) 0.433 2.231 ( -2.401 -0.611 0.000) 2.478 2.350 ( 8.638 0.208 0.000) 8.640 2.487 ( -5.151 -0.175 0.000) 5.154 2.658 ( -15.430 -0.384 0.000) 15.435 2.729 ( 0.364 -0.702 0.000) 0.791 3.325 ( 0.050 0.591 0.000) 0.593 3.426 ( 1.340 1.225 0.000) 1.815 3.427 ( -3.434 0.107 0.000) 3.436 3.550 ( -6.697 0.105 0.000) 6.698 3.830 ( -7.365 0.256 0.000) 7.369 4.050 ( -1.639 -0.886 0.000) 1.863 4.134 ( 7.444 0.360 0.000) 7.452 4.410 ( 5.982 -0.020 0.000) 5.982 4.449 ( 11.337 -0.986 0.000) 11.379 4.600 ( -3.347 -0.225 0.000) 3.355 4.932 ( 4.867 1.092 0.000) 4.988 4.944 ( 6.081 0.887 0.000) 6.145 5.044 ( 3.889 2.493 0.000) 4.619 5.459 ( -6.130 -10.037 0.000) 11.761 ======================= Grid point 35 (27/196) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -7.481 4.295 0.000) 8.626 0.826 ( -19.897 1.259 0.000) 19.936 1.326 ( -27.626 0.855 0.000) 27.639 1.643 ( -5.192 -0.374 0.000) 5.206 2.136 ( -4.463 -0.245 0.000) 4.470 2.174 ( -3.388 -0.458 0.000) 3.419 2.342 ( -16.802 -0.198 0.000) 16.803 2.470 ( 2.240 -0.171 0.000) 2.247 2.538 ( 10.045 0.201 0.000) 10.047 2.713 ( -2.203 -0.863 0.000) 2.366 3.346 ( 0.870 -0.126 0.000) 0.879 3.369 ( -2.227 0.385 0.000) 2.260 3.390 ( -3.770 -0.539 0.000) 3.809 3.490 ( 0.774 0.046 0.000) 0.776 3.674 ( -8.483 0.218 0.000) 8.486 4.019 ( -1.888 -0.765 0.000) 2.037 4.258 ( 5.545 0.388 0.000) 5.559 4.458 ( -6.462 -1.091 0.000) 6.553 4.526 ( 1.272 -2.138 0.000) 2.488 4.663 ( 9.708 -0.988 0.000) 9.758 4.966 ( -3.183 -1.915 0.000) 3.715 5.014 ( -6.041 -3.561 0.000) 7.012 5.068 ( 4.460 1.413 0.000) 4.678 5.516 ( 8.333 -4.491 0.000) 9.466 ======================= Grid point 36 (28/196) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -4.601 8.278 0.000) 9.471 0.440 ( -18.771 2.337 0.000) 18.916 0.740 ( -30.313 3.486 0.000) 30.513 1.583 ( -1.811 -0.200 0.000) 1.822 2.046 ( -3.892 -0.102 0.000) 3.894 2.053 ( -11.889 0.168 0.000) 11.890 2.136 ( -1.234 -0.767 0.000) 1.453 2.524 ( 2.583 -0.125 0.000) 2.586 2.660 ( -2.020 -0.966 0.000) 2.239 2.722 ( 7.255 0.437 0.000) 7.268 3.273 ( -4.263 -0.050 0.000) 4.264 3.338 ( -0.804 0.492 0.000) 0.943 3.438 ( 3.833 -2.734 0.000) 4.709 3.506 ( -0.104 -0.860 0.000) 0.866 3.516 ( -7.075 0.102 0.000) 7.076 3.992 ( -1.131 -0.404 0.000) 1.201 4.315 ( -6.805 -0.220 0.000) 6.808 4.339 ( 2.969 0.402 0.000) 2.996 4.458 ( -25.335 -16.998 0.000) 30.509 4.729 ( -9.647 -3.083 0.000) 10.128 4.819 ( 5.574 -0.954 0.000) 5.655 5.002 ( 0.564 0.258 0.000) 0.620 5.146 ( 3.552 2.553 0.000) 4.374 5.734 ( 10.839 0.435 0.000) 10.848 ======================= Grid point 37 (29/196) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.151 ( 0.000 6.003 0.000) 6.003 0.204 ( 0.000 8.093 0.000) 8.093 0.297 ( 0.000 11.805 0.000) 11.805 1.568 ( 0.000 0.039 0.000) 0.039 1.929 ( 0.000 0.334 0.000) 0.334 2.007 ( -0.000 -0.106 0.000) 0.106 2.129 ( -0.000 -0.730 0.000) 0.730 2.554 ( 0.000 0.006 0.000) 0.006 2.637 ( -0.000 -0.991 0.000) 0.991 2.803 ( 0.000 0.536 0.000) 0.536 3.222 ( -0.000 -0.700 0.000) 0.700 3.328 ( 0.000 0.460 0.000) 0.460 3.438 ( 0.000 0.004 0.000) 0.004 3.484 ( -0.000 -0.747 0.000) 0.747 3.512 ( -0.000 -3.554 0.000) 3.554 3.930 ( 0.000 0.242 0.000) 0.242 3.983 ( -0.000 -0.073 0.000) 0.073 4.240 ( 0.000 0.400 0.000) 0.400 4.365 ( 0.000 0.365 0.000) 0.365 4.690 ( 0.000 0.938 0.000) 0.938 4.879 ( -0.000 -0.856 0.000) 0.856 5.006 ( 0.000 0.279 0.000) 0.279 5.166 ( 0.000 2.457 0.000) 2.457 5.858 ( -0.000 -0.036 0.000) 0.036 ======================= Grid point 42 (30/196) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 10.676 0.000 0.000) 10.676 1.647 ( -10.591 -0.000 0.000) 10.591 1.947 ( -1.728 -0.000 0.000) 1.728 1.983 ( -1.764 -0.000 0.000) 1.764 2.223 ( 13.172 0.000 0.000) 13.172 2.441 ( -9.697 -0.000 0.000) 9.697 2.641 ( 8.491 0.000 0.000) 8.491 2.804 ( -3.320 -0.000 0.000) 3.320 2.876 ( 8.817 0.000 0.000) 8.817 2.965 ( -5.650 -0.000 0.000) 5.650 3.493 ( 6.565 0.000 0.000) 6.565 3.495 ( 3.598 0.000 0.000) 3.598 3.543 ( 3.290 0.000 0.000) 3.290 3.633 ( -7.869 -0.000 0.000) 7.869 3.786 ( 2.069 0.000 0.000) 2.069 3.887 ( -4.870 -0.000 0.000) 4.870 4.060 ( 0.861 0.000 0.000) 0.861 4.089 ( -0.750 -0.000 0.000) 0.750 4.123 ( -0.521 -0.000 0.000) 0.521 4.157 ( -2.396 -0.000 0.000) 2.396 4.766 ( 0.750 0.000 0.000) 0.750 4.838 ( -2.561 -0.000 0.000) 2.561 5.348 ( 7.017 0.000 0.000) 7.017 5.532 ( -7.632 -0.000 0.000) 7.632 ======================= Grid point 43 (31/196) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -14.987 -0.579 0.000) 14.998 1.670 ( 6.023 0.058 0.000) 6.024 1.947 ( 1.832 0.094 0.000) 1.835 1.982 ( 1.565 -0.105 0.000) 1.568 2.223 ( -13.058 0.005 0.000) 13.058 2.438 ( 9.336 -0.013 0.000) 9.336 2.675 ( -8.787 0.178 0.000) 8.789 2.773 ( 3.944 -0.160 0.000) 3.947 2.823 ( -9.030 -0.236 0.000) 9.033 3.001 ( 3.904 0.161 0.000) 3.908 3.488 ( -2.774 0.080 0.000) 2.775 3.516 ( -3.662 -0.112 0.000) 3.664 3.567 ( -0.570 0.322 0.000) 0.655 3.653 ( 7.593 0.085 0.000) 7.594 3.843 ( 0.456 0.302 0.000) 0.547 3.895 ( 7.917 -0.036 0.000) 7.917 4.068 ( 0.360 -0.086 0.000) 0.370 4.077 ( -0.999 0.054 0.000) 1.000 4.131 ( 1.444 0.175 0.000) 1.454 4.136 ( 1.222 -0.225 0.000) 1.243 4.794 ( -0.911 0.196 0.000) 0.932 4.797 ( 1.393 -0.275 0.000) 1.420 5.366 ( -9.301 0.097 0.000) 9.301 5.461 ( 4.350 -0.355 0.000) 4.364 ======================= Grid point 44 (32/196) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -15.071 -1.813 0.000) 15.180 1.737 ( 0.811 -0.494 0.000) 0.950 1.933 ( -15.830 0.029 0.000) 15.830 2.019 ( 4.634 0.376 0.000) 4.649 2.041 ( 4.204 -0.382 0.000) 4.222 2.500 ( -8.696 0.239 0.000) 8.699 2.588 ( 6.250 -0.129 0.000) 6.251 2.614 ( -13.124 -0.451 0.000) 13.131 2.765 ( -4.647 -0.162 0.000) 4.650 3.016 ( -2.459 -0.114 0.000) 2.462 3.437 ( -1.671 0.685 0.000) 1.806 3.488 ( -5.578 1.038 0.000) 5.673 3.494 ( 0.258 -0.253 0.000) 0.361 3.812 ( -4.490 0.440 0.000) 4.512 3.814 ( 8.829 0.161 0.000) 8.830 4.028 ( 4.577 0.289 0.000) 4.586 4.039 ( -2.943 0.154 0.000) 2.947 4.100 ( 3.642 -0.338 0.000) 3.658 4.179 ( 3.935 -0.228 0.000) 3.942 4.276 ( 13.183 0.878 0.000) 13.212 4.787 ( 1.130 0.185 0.000) 1.145 4.838 ( 1.642 -0.630 0.000) 1.758 5.187 ( -8.807 -0.065 0.000) 8.807 5.511 ( -0.002 -1.459 0.000) 1.459 ======================= Grid point 45 (33/196) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -11.561 -2.075 0.000) 11.746 1.594 ( -18.605 0.256 0.000) 18.607 1.716 ( -3.156 -1.126 0.000) 3.351 2.123 ( 5.295 0.474 0.000) 5.316 2.153 ( 7.067 -0.614 0.000) 7.094 2.314 ( -18.458 -0.476 0.000) 18.464 2.351 ( -6.166 0.153 0.000) 6.168 2.628 ( -8.141 -0.176 0.000) 8.142 2.684 ( 3.165 -0.274 0.000) 3.176 2.900 ( -9.820 -0.365 0.000) 9.827 3.382 ( -3.745 1.478 0.000) 4.026 3.425 ( 0.512 0.985 0.000) 1.110 3.484 ( -1.985 -0.161 0.000) 1.991 3.690 ( -7.257 0.124 0.000) 7.258 3.954 ( -3.759 0.102 0.000) 3.761 3.987 ( 7.029 0.333 0.000) 7.037 4.059 ( -0.418 -0.374 0.000) 0.561 4.229 ( 9.217 -0.640 0.000) 9.240 4.291 ( 6.692 0.297 0.000) 6.698 4.542 ( 12.300 2.101 0.000) 12.478 4.841 ( 4.624 0.249 0.000) 4.631 4.862 ( 1.237 -0.861 0.000) 1.507 5.058 ( -3.390 0.427 0.000) 3.416 5.469 ( -6.053 -4.027 0.000) 7.270 ======================= Grid point 46 (34/196) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -7.413 0.432 0.000) 7.426 1.223 ( -19.543 0.615 0.000) 19.553 1.635 ( -6.480 -1.442 0.000) 6.639 1.917 ( -21.845 0.133 0.000) 21.846 2.189 ( 0.109 0.317 0.000) 0.335 2.222 ( -2.047 -0.792 0.000) 2.195 2.353 ( 8.444 0.217 0.000) 8.447 2.486 ( -5.148 -0.146 0.000) 5.150 2.654 ( -15.382 -0.366 0.000) 15.386 2.721 ( 0.237 -0.575 0.000) 0.622 3.333 ( -0.706 0.720 0.000) 1.008 3.428 ( -3.247 0.094 0.000) 3.248 3.438 ( 0.993 0.927 0.000) 1.359 3.548 ( -7.066 -0.311 0.000) 7.073 3.833 ( -7.373 0.204 0.000) 7.376 4.040 ( -1.686 -0.775 0.000) 1.856 4.138 ( 7.455 0.324 0.000) 7.462 4.410 ( 5.378 0.003 0.000) 5.378 4.438 ( 11.329 -0.839 0.000) 11.360 4.596 ( -4.889 -0.392 0.000) 4.904 4.944 ( 4.507 0.930 0.000) 4.602 4.954 ( 6.513 0.724 0.000) 6.553 5.078 ( 5.047 3.270 0.000) 6.013 5.349 ( -7.119 -8.651 0.000) 11.204 ======================= Grid point 47 (35/196) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -4.604 4.818 0.000) 6.664 0.840 ( -19.481 1.186 0.000) 19.517 1.334 ( -26.234 0.370 0.000) 26.236 1.639 ( -5.455 -0.291 0.000) 5.463 2.134 ( -4.230 -0.008 0.000) 4.231 2.168 ( -3.776 -0.679 0.000) 3.836 2.339 ( -16.634 -0.233 0.000) 16.636 2.468 ( 2.218 -0.198 0.000) 2.227 2.540 ( 10.146 0.260 0.000) 10.149 2.703 ( -2.265 -0.829 0.000) 2.412 3.342 ( 1.233 -0.485 0.000) 1.325 3.373 ( -2.101 0.364 0.000) 2.132 3.387 ( -5.627 -0.022 0.000) 5.627 3.486 ( 0.329 -0.629 0.000) 0.710 3.676 ( -8.526 0.198 0.000) 8.528 4.010 ( -1.758 -0.774 0.000) 1.920 4.263 ( 5.574 0.387 0.000) 5.587 4.447 ( -6.099 -0.760 0.000) 6.146 4.496 ( -2.085 -2.858 0.000) 3.537 4.651 ( 9.700 -0.944 0.000) 9.746 4.925 ( -14.534 -4.136 0.000) 15.111 4.994 ( -0.529 -0.446 0.000) 0.692 5.088 ( 6.198 1.761 0.000) 6.443 5.483 ( 13.524 -1.415 0.000) 13.598 ======================= Grid point 48 (36/196) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -2.936 8.521 0.000) 9.013 0.467 ( -17.621 2.360 0.000) 17.778 0.777 ( -28.354 2.694 0.000) 28.482 1.581 ( -1.538 -0.119 0.000) 1.543 2.045 ( -3.875 0.010 0.000) 3.875 2.055 ( -11.658 0.150 0.000) 11.659 2.126 ( -1.341 -0.928 0.000) 1.630 2.522 ( 2.640 -0.184 0.000) 2.646 2.650 ( -2.294 -0.857 0.000) 2.449 2.727 ( 7.584 0.333 0.000) 7.592 3.269 ( -5.004 -0.588 0.000) 5.039 3.344 ( -0.759 0.525 0.000) 0.922 3.406 ( 3.007 -2.580 0.000) 3.962 3.494 ( -0.723 -1.208 0.000) 1.408 3.518 ( -7.160 0.105 0.000) 7.161 3.986 ( -0.991 -0.578 0.000) 1.147 4.296 ( -25.884 -10.272 0.000) 27.848 4.314 ( -6.555 -0.247 0.000) 6.560 4.344 ( 2.992 0.444 0.000) 3.025 4.718 ( -3.254 0.012 0.000) 3.255 4.807 ( 5.556 -1.016 0.000) 5.648 5.005 ( 0.633 0.282 0.000) 0.693 5.178 ( 3.941 2.830 0.000) 4.852 5.739 ( 11.131 0.414 0.000) 11.138 ======================= Grid point 49 (37/196) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( 0.000 5.109 0.000) 5.109 0.292 ( 0.000 6.892 0.000) 6.892 0.425 ( 0.000 10.066 0.000) 10.066 1.569 ( 0.000 0.086 0.000) 0.086 1.933 ( 0.000 0.405 0.000) 0.405 2.006 ( -0.000 -0.048 0.000) 0.048 2.119 ( -0.000 -0.948 0.000) 0.948 2.554 ( 0.000 0.008 0.000) 0.008 2.625 ( -0.000 -1.153 0.000) 1.153 2.810 ( 0.000 0.578 0.000) 0.578 3.213 ( -0.000 -0.841 0.000) 0.841 3.334 ( 0.000 0.558 0.000) 0.558 3.438 ( 0.000 0.004 0.000) 0.004 3.467 ( -0.000 -3.961 0.000) 3.961 3.474 ( -0.000 -0.902 0.000) 0.902 3.933 ( 0.000 0.293 0.000) 0.293 3.980 ( -0.000 -0.338 0.000) 0.338 4.245 ( 0.000 0.470 0.000) 0.470 4.370 ( 0.000 0.455 0.000) 0.455 4.701 ( 0.000 0.937 0.000) 0.937 4.868 ( -0.000 -1.032 0.000) 1.032 5.010 ( 0.000 0.312 0.000) 0.312 5.199 ( 0.000 3.108 0.000) 3.108 5.857 ( -0.000 -0.089 0.000) 0.089 ======================= Grid point 56 (38/196) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -15.166 -0.000 0.000) 15.166 1.734 ( 0.668 0.000 0.000) 0.668 1.933 ( -15.749 -0.000 0.000) 15.749 2.021 ( 4.661 0.000 0.000) 4.661 2.038 ( 4.116 0.000 0.000) 4.116 2.501 ( -8.753 -0.000 0.000) 8.753 2.587 ( 6.226 0.000 0.000) 6.226 2.612 ( -13.116 -0.000 0.000) 13.116 2.764 ( -4.607 -0.000 0.000) 4.607 3.016 ( -2.562 -0.000 0.000) 2.562 3.441 ( -1.552 -0.000 0.000) 1.552 3.493 ( 0.281 0.000 0.000) 0.281 3.494 ( -5.516 -0.000 0.000) 5.516 3.814 ( -4.627 -0.000 0.000) 4.627 3.815 ( 8.828 0.000 0.000) 8.828 4.030 ( 4.440 0.000 0.000) 4.440 4.040 ( -2.949 -0.000 0.000) 2.949 4.098 ( 3.604 0.000 0.000) 3.604 4.178 ( 4.085 0.000 0.000) 4.085 4.281 ( 13.523 0.000 0.000) 13.523 4.788 ( 1.106 0.000 0.000) 1.106 4.834 ( 1.571 0.000 0.000) 1.571 5.186 ( -8.810 -0.000 0.000) 8.810 5.502 ( -0.305 -0.000 0.000) 0.305 ======================= Grid point 58 (39/196) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -10.883 -0.749 0.000) 10.909 1.597 ( -18.515 0.094 0.000) 18.515 1.707 ( -3.249 -0.411 0.000) 3.275 2.128 ( 4.986 0.296 0.000) 4.995 2.147 ( 7.282 -0.350 0.000) 7.291 2.310 ( -18.313 -0.174 0.000) 18.314 2.353 ( -6.187 0.057 0.000) 6.187 2.627 ( -8.038 -0.065 0.000) 8.039 2.682 ( 3.023 -0.096 0.000) 3.024 2.897 ( -9.816 -0.137 0.000) 9.817 3.394 ( -4.046 0.576 0.000) 4.086 3.432 ( 0.505 0.321 0.000) 0.599 3.482 ( -1.881 -0.057 0.000) 1.882 3.691 ( -7.457 0.020 0.000) 7.457 3.955 ( -3.578 0.035 0.000) 3.578 3.990 ( 6.846 0.126 0.000) 6.847 4.056 ( -0.642 -0.146 0.000) 0.658 4.224 ( 9.173 -0.236 0.000) 9.176 4.293 ( 6.767 0.114 0.000) 6.768 4.559 ( 11.929 0.767 0.000) 11.954 4.843 ( 4.693 0.126 0.000) 4.694 4.855 ( 1.807 -0.349 0.000) 1.841 5.062 ( -2.848 0.188 0.000) 2.854 5.436 ( -7.199 -1.469 0.000) 7.348 ======================= Grid point 59 (40/196) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -5.393 0.454 0.000) 5.413 1.228 ( -19.377 0.352 0.000) 19.380 1.621 ( -6.410 -0.854 0.000) 6.467 1.918 ( -21.464 0.027 0.000) 21.464 2.194 ( 0.117 0.513 0.000) 0.526 2.213 ( -2.031 -0.803 0.000) 2.184 2.355 ( 8.322 0.138 0.000) 8.323 2.484 ( -5.151 -0.083 0.000) 5.152 2.650 ( -15.341 -0.222 0.000) 15.343 2.716 ( 0.146 -0.322 0.000) 0.354 3.340 ( -1.263 0.490 0.000) 1.355 3.429 ( -3.115 0.055 0.000) 3.116 3.447 ( 0.980 0.579 0.000) 1.139 3.544 ( -7.625 -0.420 0.000) 7.637 3.835 ( -7.379 0.112 0.000) 7.380 4.033 ( -1.719 -0.455 0.000) 1.778 4.141 ( 7.459 0.194 0.000) 7.461 4.410 ( 4.935 0.009 0.000) 4.935 4.431 ( 11.328 -0.484 0.000) 11.339 4.592 ( -5.793 -0.290 0.000) 5.800 4.952 ( 4.004 0.535 0.000) 4.039 4.961 ( 6.978 0.396 0.000) 6.989 5.120 ( 6.787 3.855 0.000) 7.806 5.260 ( -8.480 -6.565 0.000) 10.724 ======================= Grid point 60 (41/196) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -2.319 3.915 0.000) 4.550 0.852 ( -19.151 0.841 0.000) 19.170 1.335 ( -25.231 -0.076 0.000) 25.231 1.636 ( -5.689 -0.176 0.000) 5.691 2.136 ( -3.953 0.279 0.000) 3.963 2.159 ( -4.160 -0.781 0.000) 4.233 2.337 ( -16.485 -0.185 0.000) 16.486 2.466 ( 2.182 -0.160 0.000) 2.188 2.543 ( 10.271 0.229 0.000) 10.274 2.695 ( -2.362 -0.602 0.000) 2.438 3.337 ( 0.683 -0.344 0.000) 0.765 3.377 ( -1.998 0.259 0.000) 2.015 3.388 ( -6.642 0.096 0.000) 6.642 3.477 ( 0.223 -0.866 0.000) 0.895 3.678 ( -8.560 0.136 0.000) 8.562 4.002 ( -1.674 -0.593 0.000) 1.776 4.267 ( 5.594 0.288 0.000) 5.602 4.440 ( -5.664 -0.470 0.000) 5.684 4.465 ( -5.382 -2.265 0.000) 5.839 4.642 ( 9.700 -0.678 0.000) 9.723 4.885 ( -16.285 -2.501 0.000) 16.476 4.993 ( 0.879 -0.001 0.000) 0.879 5.106 ( 6.948 1.307 0.000) 7.070 5.476 ( 15.831 -0.189 0.000) 15.832 ======================= Grid point 61 (42/196) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -16.701 1.877 0.000) 16.806 0.539 ( -1.926 7.421 0.000) 7.667 0.800 ( -27.117 1.185 0.000) 27.143 1.580 ( -1.293 -0.046 0.000) 1.293 2.046 ( -3.900 0.150 0.000) 3.903 2.057 ( -11.419 0.115 0.000) 11.420 2.115 ( -1.391 -0.909 0.000) 1.661 2.520 ( 2.697 -0.197 0.000) 2.704 2.641 ( -2.618 -0.618 0.000) 2.690 2.730 ( 7.946 0.217 0.000) 7.949 3.261 ( -5.464 -0.754 0.000) 5.515 3.350 ( -0.715 0.436 0.000) 0.838 3.379 ( 2.050 -1.985 0.000) 2.853 3.480 ( -0.899 -1.124 0.000) 1.439 3.519 ( -7.237 0.085 0.000) 7.238 3.979 ( -0.958 -0.619 0.000) 1.141 4.208 ( -22.301 -5.213 0.000) 22.902 4.313 ( -5.747 -0.038 0.000) 5.747 4.349 ( 3.012 0.383 0.000) 3.036 4.720 ( -1.741 0.263 0.000) 1.760 4.796 ( 5.543 -0.847 0.000) 5.607 5.008 ( 0.660 0.223 0.000) 0.697 5.209 ( 4.333 2.427 0.000) 4.967 5.743 ( 10.920 0.308 0.000) 10.924 ======================= Grid point 62 (43/196) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( 0.000 3.906 0.000) 3.906 0.363 ( 0.000 5.273 0.000) 5.273 0.529 ( 0.000 7.711 0.000) 7.711 1.570 ( 0.000 0.122 0.000) 0.122 1.938 ( 0.000 0.383 0.000) 0.383 2.006 ( 0.000 0.062 0.000) 0.062 2.108 ( -0.000 -0.989 0.000) 0.989 2.554 ( 0.000 0.007 0.000) 0.007 2.611 ( -0.000 -1.056 0.000) 1.056 2.816 ( 0.000 0.490 0.000) 0.490 3.204 ( -0.000 -0.790 0.000) 0.790 3.341 ( 0.000 0.529 0.000) 0.529 3.423 ( -0.000 -3.487 0.000) 3.487 3.438 ( 0.000 0.004 0.000) 0.004 3.464 ( -0.000 -0.850 0.000) 0.850 3.937 ( 0.000 0.276 0.000) 0.276 3.975 ( -0.000 -0.494 0.000) 0.494 4.251 ( 0.000 0.431 0.000) 0.431 4.375 ( 0.000 0.444 0.000) 0.444 4.711 ( 0.000 0.717 0.000) 0.717 4.856 ( -0.000 -0.973 0.000) 0.973 5.013 ( 0.000 0.272 0.000) 0.272 5.236 ( 0.000 3.056 0.000) 3.056 5.856 ( -0.000 -0.140 0.000) 0.140 ======================= Grid point 71 (44/196) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -4.621 -0.000 0.000) 4.621 1.231 ( -19.317 -0.000 0.000) 19.317 1.616 ( -6.396 -0.000 0.000) 6.396 1.918 ( -21.334 -0.000 0.000) 21.334 2.199 ( 1.244 0.000 0.000) 1.244 2.206 ( -3.152 -0.000 0.000) 3.152 2.356 ( 8.282 0.000 0.000) 8.282 2.484 ( -5.153 -0.000 0.000) 5.153 2.649 ( -15.326 -0.000 0.000) 15.326 2.714 ( 0.112 0.000 0.000) 0.112 3.343 ( -1.469 -0.000 0.000) 1.469 3.430 ( -3.068 -0.000 0.000) 3.068 3.451 ( 1.087 0.000 0.000) 1.087 3.541 ( -7.950 -0.000 0.000) 7.950 3.835 ( -7.380 -0.000 0.000) 7.380 4.030 ( -1.731 -0.000 0.000) 1.731 4.142 ( 7.459 0.000 0.000) 7.459 4.410 ( 4.771 0.000 0.000) 4.771 4.428 ( 11.329 0.000 0.000) 11.329 4.590 ( -6.081 -0.000 0.000) 6.081 4.956 ( 3.738 0.000 0.000) 3.738 4.963 ( 7.233 0.000 0.000) 7.233 5.155 ( 14.030 0.000 0.000) 14.030 5.210 ( -15.560 -0.000 0.000) 15.560 ======================= Grid point 73 (45/196) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -1.050 1.524 0.000) 1.850 0.859 ( -18.970 0.304 0.000) 18.973 1.334 ( -24.757 -0.112 0.000) 24.758 1.635 ( -5.820 -0.059 0.000) 5.820 2.140 ( -3.330 0.426 0.000) 3.357 2.151 ( -4.835 -0.611 0.000) 4.873 2.335 ( -16.397 -0.070 0.000) 16.397 2.464 ( 2.155 -0.061 0.000) 2.156 2.545 ( 10.367 0.093 0.000) 10.367 2.690 ( -2.442 -0.221 0.000) 2.453 3.334 ( 0.222 -0.119 0.000) 0.252 3.379 ( -1.940 0.094 0.000) 1.943 3.389 ( -7.340 0.082 0.000) 7.341 3.469 ( 0.426 -0.427 0.000) 0.603 3.679 ( -8.579 0.048 0.000) 8.579 3.997 ( -1.639 -0.224 0.000) 1.654 4.269 ( 5.604 0.107 0.000) 5.605 4.436 ( -4.984 -0.264 0.000) 4.991 4.447 ( -7.592 -0.726 0.000) 7.626 4.636 ( 9.702 -0.247 0.000) 9.705 4.866 ( -15.915 -0.779 0.000) 15.934 4.993 ( 1.174 0.019 0.000) 1.174 5.117 ( 7.324 0.479 0.000) 7.340 5.475 ( 16.593 0.035 0.000) 16.593 ======================= Grid point 74 (46/196) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -16.124 1.032 0.000) 16.157 0.612 ( -0.731 4.734 0.000) 4.790 0.805 ( -27.144 -0.094 0.000) 27.144 1.580 ( -1.123 -0.008 0.000) 1.123 2.049 ( -3.978 0.181 0.000) 3.982 2.058 ( -11.241 0.063 0.000) 11.241 2.106 ( -1.361 -0.609 0.000) 1.491 2.518 ( 2.735 -0.130 0.000) 2.738 2.635 ( -2.856 -0.317 0.000) 2.873 2.732 ( 8.207 0.106 0.000) 8.208 3.254 ( -5.644 -0.503 0.000) 5.666 3.354 ( -0.683 0.247 0.000) 0.727 3.361 ( 1.310 -1.071 0.000) 1.692 3.469 ( -0.840 -0.668 0.000) 1.074 3.519 ( -7.291 0.047 0.000) 7.291 3.973 ( -0.980 -0.408 0.000) 1.062 4.167 ( -19.591 -2.109 0.000) 19.705 4.312 ( -5.441 0.002 0.000) 5.441 4.352 ( 3.025 0.223 0.000) 3.033 4.722 ( -1.203 0.158 0.000) 1.214 4.788 ( 5.537 -0.480 0.000) 5.557 5.010 ( 0.673 0.121 0.000) 0.683 5.232 ( 4.627 1.400 0.000) 4.834 5.746 ( 10.652 0.158 0.000) 10.653 ======================= Grid point 75 (47/196) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 0.000 2.453 0.000) 2.453 0.413 ( 0.000 3.314 0.000) 3.314 0.603 ( 0.000 4.852 0.000) 4.852 1.572 ( 0.000 0.111 0.000) 0.111 1.942 ( 0.000 0.272 0.000) 0.272 2.008 ( 0.000 0.134 0.000) 0.134 2.097 ( -0.000 -0.787 0.000) 0.787 2.554 ( 0.000 0.005 0.000) 0.005 2.601 ( -0.000 -0.736 0.000) 0.736 2.821 ( 0.000 0.321 0.000) 0.321 3.196 ( -0.000 -0.560 0.000) 0.560 3.346 ( 0.000 0.376 0.000) 0.376 3.389 ( -0.000 -2.360 0.000) 2.360 3.438 ( 0.000 0.003 0.000) 0.003 3.455 ( -0.000 -0.603 0.000) 0.603 3.940 ( 0.000 0.196 0.000) 0.196 3.970 ( -0.000 -0.428 0.000) 0.428 4.255 ( 0.000 0.299 0.000) 0.299 4.380 ( 0.000 0.325 0.000) 0.325 4.718 ( 0.000 0.426 0.000) 0.426 4.846 ( -0.000 -0.691 0.000) 0.691 5.016 ( 0.000 0.181 0.000) 0.181 5.267 ( 0.000 2.238 0.000) 2.238 5.854 ( -0.000 -0.139 0.000) 0.139 ======================= Grid point 86 (48/196) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -15.929 -0.000 0.000) 15.929 0.641 ( 0.311 0.000 0.000) 0.311 0.803 ( -27.828 -0.000 0.000) 27.828 1.580 ( -1.063 -0.000 0.000) 1.063 2.050 ( -4.036 -0.000 0.000) 4.036 2.058 ( -11.176 -0.000 0.000) 11.176 2.102 ( -1.319 -0.000 0.000) 1.319 2.517 ( 2.747 0.000 0.000) 2.747 2.634 ( -2.941 -0.000 0.000) 2.941 2.732 ( 8.301 0.000 0.000) 8.301 3.250 ( -5.681 -0.000 0.000) 5.681 3.355 ( 1.032 0.000 0.000) 1.032 3.355 ( -0.672 -0.000 0.000) 0.672 3.465 ( -0.786 -0.000 0.000) 0.786 3.520 ( -7.310 -0.000 0.000) 7.310 3.970 ( -0.993 -0.000 0.000) 0.993 4.155 ( -18.691 -0.000 0.000) 18.691 4.312 ( -5.341 -0.000 0.000) 5.341 4.353 ( 3.029 0.000 0.000) 3.029 4.723 ( -1.058 -0.000 0.000) 1.058 4.785 ( 5.535 0.000 0.000) 5.535 5.011 ( 0.676 0.000 0.000) 0.676 5.240 ( 4.737 0.000 0.000) 4.737 5.746 ( 10.540 0.000 0.000) 10.540 ======================= Grid point 88 (49/196) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 0.000 0.837 0.000) 0.837 0.439 ( 0.000 1.131 0.000) 1.131 0.641 ( 0.000 1.657 0.000) 1.657 1.573 ( 0.000 0.045 0.000) 0.045 1.944 ( 0.000 0.098 0.000) 0.098 2.009 ( 0.000 0.074 0.000) 0.074 2.091 ( -0.000 -0.309 0.000) 0.309 2.554 ( 0.000 0.002 0.000) 0.002 2.595 ( -0.000 -0.263 0.000) 0.263 2.823 ( 0.000 0.111 0.000) 0.111 3.191 ( -0.000 -0.202 0.000) 0.202 3.349 ( 0.000 0.136 0.000) 0.136 3.370 ( -0.000 -0.832 0.000) 0.832 3.438 ( 0.000 0.001 0.000) 0.001 3.450 ( -0.000 -0.218 0.000) 0.218 3.941 ( 0.000 0.071 0.000) 0.071 3.966 ( -0.000 -0.168 0.000) 0.168 4.258 ( 0.000 0.107 0.000) 0.107 4.383 ( 0.000 0.120 0.000) 0.120 4.721 ( 0.000 0.139 0.000) 0.139 4.840 ( -0.000 -0.250 0.000) 0.250 5.018 ( 0.000 0.063 0.000) 0.063 5.285 ( 0.000 0.822 0.000) 0.822 5.853 ( -0.000 -0.060 0.000) 0.060 ======================= Grid point 175 (50/196) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.136 ( 0.000 0.000 10.367) 10.367 0.384 ( 0.000 0.000 20.667) 20.667 0.645 ( 0.000 0.000 33.780) 33.780 1.398 ( 0.000 0.000 -14.760) 14.760 1.781 ( 0.000 0.000 -13.454) 13.454 2.088 ( 0.000 0.000 7.893) 7.893 2.296 ( 0.000 0.000 11.519) 11.519 2.570 ( 0.000 0.000 -9.031) 9.031 2.664 ( 0.000 0.000 9.889) 9.889 3.103 ( 0.000 0.000 -4.983) 4.983 3.240 ( 0.000 0.000 -6.502) 6.502 3.251 ( 0.000 0.000 2.085) 2.085 3.374 ( 0.000 0.000 -5.975) 5.975 3.486 ( 0.000 0.000 -1.310) 1.310 3.620 ( 0.000 0.000 6.294) 6.294 3.963 ( 0.000 0.000 3.506) 3.506 3.988 ( 0.000 0.000 0.212) 0.212 4.222 ( 0.000 0.000 -1.444) 1.444 4.665 ( 0.000 0.000 -1.188) 1.188 4.807 ( 0.000 0.000 -5.596) 5.596 5.104 ( 0.000 0.000 7.487) 7.487 5.132 ( 0.000 0.000 -0.063) 0.063 5.342 ( 0.000 0.000 -2.822) 2.822 5.427 ( 0.000 0.000 -0.329) 0.329 ======================= Grid point 176 (51/196) ======================= q-point: ( 0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 9.647 -2.207 7.209) 12.244 0.531 ( 13.804 -0.669 13.990) 19.665 0.939 ( 24.488 -0.576 22.680) 33.382 1.422 ( 2.568 0.038 -14.273) 14.502 1.886 ( 9.650 -0.114 -14.416) 17.348 2.120 ( 3.345 -0.034 6.749) 7.532 2.291 ( 0.173 0.294 11.503) 11.508 2.546 ( -1.320 0.176 -4.958) 5.134 2.714 ( 4.051 0.091 7.554) 8.572 2.814 ( -14.183 0.701 5.714) 15.307 3.222 ( -1.635 0.209 -7.648) 7.823 3.288 ( 3.640 -0.198 2.183) 4.250 3.446 ( 3.868 0.098 -5.671) 6.865 3.515 ( 2.182 0.133 -0.784) 2.323 3.599 ( -1.350 0.301 7.642) 7.766 3.992 ( 1.363 0.054 -0.700) 1.533 4.127 ( 3.311 0.129 -10.118) 10.647 4.291 ( 6.008 0.042 -3.060) 6.743 4.737 ( 1.596 -0.175 3.323) 3.690 4.779 ( -2.585 0.297 -3.735) 4.552 5.079 ( -2.172 0.596 6.327) 6.716 5.104 ( -3.211 -1.093 0.221) 3.400 5.228 ( -1.430 15.103 -0.444) 15.177 5.548 ( 2.654 -5.494 -10.935) 12.522 ======================= Grid point 177 (52/196) ======================= q-point: ( 0.15 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 12.151 -1.376 6.107) 13.669 0.852 ( 18.060 -0.660 6.511) 19.209 1.437 ( 20.130 0.069 6.125) 21.042 1.512 ( 11.753 -0.241 -5.561) 13.004 2.068 ( 6.481 -0.217 -14.141) 15.557 2.225 ( 7.817 0.117 1.152) 7.902 2.304 ( 1.278 0.360 9.814) 9.903 2.555 ( 3.042 0.519 -0.879) 3.208 2.582 ( -9.957 0.029 4.297) 10.845 2.792 ( 3.669 0.155 7.828) 8.647 3.189 ( -1.195 0.306 -8.939) 9.024 3.385 ( 5.892 -0.406 2.425) 6.385 3.441 ( -2.197 -0.292 -1.044) 2.450 3.587 ( 0.713 0.165 8.955) 8.985 3.638 ( 8.145 -0.148 -2.996) 8.680 4.024 ( 1.874 0.326 -1.076) 2.186 4.107 ( -3.927 -0.169 -9.278) 10.076 4.384 ( 1.586 0.323 -8.850) 8.997 4.688 ( -5.386 0.034 9.440) 10.869 4.729 ( -1.411 0.512 3.474) 3.785 5.014 ( -4.820 -0.126 0.084) 4.823 5.035 ( -3.753 -0.693 4.336) 5.776 5.096 ( -7.313 1.666 -1.672) 7.684 5.593 ( 3.122 5.764 -9.347) 11.416 ======================= Grid point 178 (53/196) ======================= q-point: ( 0.23 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 13.447 0.468 5.198) 14.425 1.213 ( 18.677 -0.509 2.395) 18.837 1.586 ( 6.007 0.697 -11.076) 12.619 1.954 ( 22.308 0.209 7.549) 23.551 2.111 ( -1.200 -0.300 -9.684) 9.763 2.314 ( -2.118 0.532 4.067) 4.617 2.392 ( 8.834 0.036 -4.374) 9.857 2.432 ( -2.422 -0.198 9.429) 9.737 2.667 ( 5.938 0.726 -1.517) 6.171 2.856 ( 3.955 0.121 7.611) 8.578 3.184 ( 0.841 -0.022 -7.732) 7.777 3.392 ( -2.303 -0.842 0.203) 2.460 3.514 ( 6.073 -0.839 4.381) 7.535 3.626 ( 3.425 0.012 7.859) 8.573 3.790 ( 7.006 -0.160 -3.620) 7.888 4.004 ( -6.408 -0.329 -8.047) 10.292 4.054 ( 1.344 0.502 -1.435) 2.029 4.315 ( -7.309 0.395 -11.065) 13.267 4.563 ( -7.046 -0.089 11.392) 13.395 4.690 ( -6.361 -0.490 4.497) 7.806 4.907 ( -6.044 -0.637 -1.898) 6.367 4.963 ( -1.053 -0.015 5.095) 5.203 4.997 ( -2.350 -0.768 -0.250) 2.485 5.614 ( 2.784 6.700 -6.798) 9.942 ======================= Grid point 179 (54/196) ======================= q-point: ( 0.31 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 13.796 2.350 3.980) 14.550 1.555 ( 14.938 0.070 -2.235) 15.105 1.701 ( 7.442 0.756 -6.970) 10.224 2.060 ( -3.343 -0.331 -5.684) 6.602 2.208 ( -5.884 0.458 4.035) 7.150 2.281 ( 10.928 0.660 2.134) 11.154 2.527 ( 10.198 -0.003 10.256) 14.463 2.562 ( 8.529 0.058 -5.813) 10.322 2.695 ( -2.149 0.508 0.137) 2.212 2.957 ( 4.968 0.405 0.316) 4.994 3.226 ( 3.528 -0.838 -4.081) 5.459 3.372 ( -0.121 -1.532 1.223) 1.964 3.608 ( 2.835 -0.711 7.305) 7.868 3.719 ( 5.758 -0.233 4.058) 7.048 3.837 ( -6.079 -0.189 -9.020) 10.878 3.935 ( 2.799 -0.420 -2.127) 3.540 4.065 ( -0.008 0.303 -1.108) 1.149 4.159 ( -7.266 0.458 -8.145) 10.925 4.430 ( -6.773 -0.200 11.559) 13.398 4.485 ( -12.946 -2.149 3.174) 13.501 4.805 ( -4.413 -0.283 -2.726) 5.195 4.939 ( -2.358 0.528 2.437) 3.432 5.057 ( 7.126 0.574 2.356) 7.528 5.614 ( 0.486 4.770 -4.963) 6.901 ======================= Grid point 180 (55/196) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 13.105 3.088 2.297) 13.659 1.675 ( 0.177 1.028 -7.441) 7.514 1.949 ( 15.444 -0.129 -0.321) 15.448 2.003 ( -2.444 -0.436 -1.256) 2.782 2.108 ( -4.097 0.541 6.169) 7.425 2.434 ( 7.051 -0.009 -1.620) 7.235 2.607 ( -6.051 0.301 1.446) 6.228 2.698 ( 4.879 0.250 -6.684) 8.279 2.738 ( 9.727 0.569 5.502) 11.190 2.996 ( -0.596 -0.030 -5.029) 5.064 3.317 ( 4.490 -0.692 -2.466) 5.169 3.414 ( 3.446 -1.213 1.668) 4.016 3.635 ( -0.429 -0.991 5.607) 5.710 3.689 ( -7.867 -0.325 -7.801) 11.084 3.821 ( 3.932 -0.685 3.481) 5.296 3.981 ( 0.051 -0.327 -2.169) 2.194 4.060 ( 0.080 -0.275 0.537) 0.609 4.067 ( -1.665 0.352 -3.588) 3.971 4.265 ( -8.793 -1.074 4.027) 9.730 4.322 ( -5.493 0.017 11.226) 12.498 4.751 ( -1.281 -0.268 -2.916) 3.196 4.883 ( -3.109 0.732 0.468) 3.228 5.204 ( 8.091 0.610 1.555) 8.262 5.572 ( -2.594 2.891 -3.461) 5.202 ======================= Grid point 181 (56/196) ======================= q-point: ( 0.46 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 10.473 2.098 -0.368) 10.687 1.614 ( -5.746 -0.200 -4.225) 7.135 1.976 ( -0.478 -0.335 2.980) 3.036 2.031 ( -2.298 0.317 4.661) 5.206 2.239 ( 13.082 -0.022 1.237) 13.141 2.457 ( -9.388 0.078 1.708) 9.542 2.579 ( 7.690 -0.452 -5.355) 9.381 2.708 ( -3.891 0.558 -7.141) 8.152 2.886 ( 6.060 0.797 1.018) 6.197 2.963 ( -2.679 -0.726 -3.866) 4.760 3.397 ( 4.206 -0.039 -3.839) 5.695 3.477 ( -0.720 -0.202 -2.231) 2.353 3.564 ( -1.197 -0.050 -2.833) 3.076 3.619 ( -2.981 -1.004 1.362) 3.427 3.880 ( 2.410 -0.602 4.122) 4.813 3.945 ( -2.937 -0.210 1.678) 3.389 4.068 ( 0.718 0.219 -0.441) 0.871 4.074 ( 0.636 -0.376 0.717) 1.030 4.178 ( -0.517 -0.265 5.903) 5.931 4.228 ( -3.995 0.483 9.003) 9.861 4.759 ( 1.758 -0.604 -2.190) 2.873 4.815 ( -3.230 0.828 -0.938) 3.463 5.353 ( 7.288 -0.217 -0.169) 7.294 5.482 ( -5.392 1.427 -1.902) 5.893 ======================= Grid point 189 (57/196) ======================= q-point: ( 0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 12.819 0.000 6.215) 14.246 0.848 ( 18.179 0.000 6.502) 19.307 1.437 ( 21.024 0.000 7.056) 22.176 1.511 ( 11.116 0.000 -6.415) 12.834 2.067 ( 6.482 0.000 -14.221) 15.628 2.226 ( 7.829 0.000 1.136) 7.911 2.306 ( 1.226 0.000 9.895) 9.971 2.558 ( 3.523 0.000 -0.907) 3.638 2.582 ( -10.519 -0.000 4.494) 11.439 2.793 ( 3.662 0.000 7.740) 8.563 3.191 ( -1.254 -0.000 -8.861) 8.949 3.383 ( 6.042 0.000 2.636) 6.592 3.439 ( -2.546 -0.000 -1.366) 2.889 3.588 ( 0.544 0.000 9.190) 9.206 3.637 ( 8.209 0.000 -3.115) 8.780 4.026 ( 1.912 0.000 -1.090) 2.201 4.106 ( -3.967 -0.000 -9.327) 10.135 4.386 ( 1.584 0.000 -8.992) 9.131 4.688 ( -5.363 -0.000 9.613) 11.008 4.732 ( -1.293 -0.000 3.220) 3.470 5.013 ( -5.486 -0.000 -1.072) 5.590 5.031 ( -2.890 -0.000 5.518) 6.229 5.105 ( -10.138 -0.000 -1.847) 10.305 5.629 ( 3.717 0.000 -10.426) 11.069 ======================= Grid point 190 (58/196) ======================= q-point: ( 0.15 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 14.260 0.194 5.160) 15.166 1.209 ( 18.834 -0.184 2.371) 18.983 1.591 ( 6.074 0.246 -11.248) 12.786 1.956 ( 22.726 0.089 7.870) 24.050 2.108 ( -1.239 -0.116 -9.902) 9.980 2.318 ( -2.174 0.193 4.105) 4.649 2.393 ( 8.881 0.014 -4.397) 9.909 2.431 ( -2.579 -0.076 9.508) 9.852 2.673 ( 5.930 0.259 -1.413) 6.102 2.857 ( 3.952 0.039 7.570) 8.539 3.184 ( 0.582 0.003 -7.768) 7.790 3.386 ( -2.653 -0.311 0.293) 2.687 3.507 ( 6.236 -0.328 4.275) 7.567 3.625 ( 3.369 -0.011 7.978) 8.660 3.789 ( 7.026 -0.058 -3.614) 7.901 4.002 ( -6.443 -0.119 -8.116) 10.363 4.058 ( 1.307 0.179 -1.466) 1.972 4.318 ( -7.322 0.142 -11.179) 13.364 4.562 ( -7.123 -0.034 11.336) 13.388 4.685 ( -7.654 -0.216 4.220) 8.742 4.902 ( -5.833 -0.218 -1.976) 6.162 4.963 ( 0.021 -0.022 4.965) 4.965 4.992 ( -2.277 -0.213 0.525) 2.346 5.669 ( 1.403 2.502 -7.474) 8.005 ======================= Grid point 191 (59/196) ======================= q-point: ( 0.23 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 14.298 1.318 3.836) 14.862 1.556 ( 15.588 0.008 -1.904) 15.704 1.708 ( 6.981 0.446 -7.388) 10.174 2.057 ( -3.367 -0.174 -5.742) 6.659 2.212 ( -5.889 0.248 4.117) 7.189 2.287 ( 10.686 0.392 2.249) 10.928 2.527 ( 10.614 0.004 10.302) 14.791 2.563 ( 8.534 0.012 -5.982) 10.422 2.700 ( -2.375 0.285 0.234) 2.404 2.961 ( 5.012 0.231 0.305) 5.026 3.218 ( 3.237 -0.492 -3.922) 5.109 3.358 ( -0.114 -0.882 1.344) 1.612 3.601 ( 2.879 -0.411 6.918) 7.504 3.717 ( 5.623 -0.146 4.282) 7.069 3.835 ( -6.229 -0.113 -9.040) 10.979 3.931 ( 2.957 -0.231 -2.153) 3.665 4.068 ( -0.276 0.154 -1.137) 1.180 4.163 ( -7.315 0.241 -8.243) 11.023 4.429 ( -6.599 -0.008 11.675) 13.411 4.465 ( -12.812 -1.257 3.217) 13.269 4.803 ( -4.268 -0.145 -2.756) 5.082 4.943 ( -2.369 0.187 1.881) 3.031 5.063 ( 7.445 0.423 3.220) 8.122 5.659 ( -0.910 2.720 -5.265) 5.996 ======================= Grid point 192 (60/196) ======================= q-point: ( 0.31 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 12.866 2.129 2.107) 13.210 1.685 ( -0.149 0.724 -7.314) 7.351 1.948 ( 15.475 -0.088 -0.317) 15.478 1.999 ( -2.468 -0.274 -1.349) 2.826 2.113 ( -4.144 0.341 6.313) 7.559 2.434 ( 6.717 -0.012 -1.529) 6.888 2.610 ( -6.252 0.198 1.473) 6.426 2.701 ( 5.027 0.211 -6.950) 8.580 2.744 ( 9.984 0.423 5.510) 11.411 2.995 ( -1.057 -0.052 -5.171) 5.278 3.309 ( 4.914 -0.578 -1.963) 5.322 3.402 ( 3.979 -0.832 1.696) 4.405 3.625 ( -0.434 -0.661 5.368) 5.426 3.685 ( -8.022 -0.249 -7.926) 11.280 3.815 ( 3.745 -0.476 3.778) 5.341 3.977 ( 0.059 -0.238 -2.148) 2.162 4.057 ( -0.102 -0.212 0.725) 0.762 4.070 ( -1.792 0.247 -3.778) 4.189 4.254 ( -8.180 -0.711 4.090) 9.173 4.322 ( -5.049 0.015 11.146) 12.237 4.748 ( -1.380 -0.176 -2.922) 3.236 4.889 ( -3.037 0.447 0.287) 3.084 5.211 ( 7.791 0.470 1.925) 8.039 5.601 ( -3.601 2.059 -3.560) 5.466 ======================= Grid point 193 (61/196) ======================= q-point: ( 0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 9.487 1.735 -0.617) 9.664 1.611 ( -6.807 -0.270 -3.950) 7.875 1.973 ( -0.172 -0.141 2.800) 2.809 2.034 ( -2.594 0.121 4.850) 5.501 2.239 ( 13.098 -0.006 1.238) 13.156 2.458 ( -9.477 0.063 1.703) 9.629 2.574 ( 7.553 -0.388 -5.297) 9.234 2.714 ( -3.858 0.454 -7.138) 8.126 2.895 ( 6.122 0.725 0.868) 6.225 2.955 ( -2.843 -0.612 -3.863) 4.836 3.397 ( 4.445 -0.045 -3.717) 5.795 3.475 ( -0.434 -0.163 -2.486) 2.529 3.564 ( -0.727 0.061 -2.585) 2.686 3.608 ( -2.538 -0.913 1.302) 2.995 3.874 ( 2.910 -0.429 4.497) 5.373 3.943 ( -2.731 -0.219 1.762) 3.258 4.067 ( 0.302 -0.278 0.099) 0.422 4.073 ( 1.132 0.148 0.114) 1.147 4.175 ( -0.447 -0.211 5.690) 5.711 4.233 ( -4.038 0.362 8.945) 9.821 4.753 ( 1.562 -0.494 -2.200) 2.743 4.824 ( -3.271 0.655 -0.985) 3.478 5.351 ( 6.687 -0.166 0.011) 6.689 5.497 ( -6.162 1.189 -1.976) 6.579 ======================= Grid point 194 (62/196) ======================= q-point: (-0.54 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -11.636 -2.009 -0.118) 11.809 1.616 ( 4.750 0.091 -4.498) 6.542 1.981 ( 0.754 0.564 3.176) 3.313 2.026 ( 2.022 -0.554 4.460) 4.929 2.240 ( -13.082 0.036 1.241) 13.141 2.456 ( 9.306 -0.075 1.707) 9.461 2.584 ( -7.854 0.410 -5.408) 9.544 2.701 ( 3.960 -0.536 -7.147) 8.189 2.877 ( -5.981 -0.679 1.172) 6.133 2.972 ( 2.439 0.668 -3.866) 4.619 3.398 ( -4.035 0.033 -3.974) 5.664 3.479 ( 1.073 0.206 -1.939) 2.226 3.565 ( 1.721 0.110 -3.226) 3.658 3.630 ( 3.417 0.890 1.475) 3.827 3.887 ( -1.924 0.678 3.856) 4.363 3.947 ( 3.255 0.127 1.523) 3.596 4.064 ( -0.816 -0.300 -0.314) 0.924 4.079 ( -0.411 0.445 0.701) 0.926 4.181 ( 0.542 0.266 6.100) 6.130 4.222 ( 3.959 -0.510 9.045) 9.887 4.766 ( -1.943 0.578 -2.180) 2.977 4.805 ( 3.143 -0.819 -0.894) 3.369 5.356 ( -7.914 0.222 -0.356) 7.925 5.465 ( 4.576 -1.339 -1.823) 5.104 ======================= Grid point 195 (63/196) ======================= q-point: (-0.46 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -13.403 -3.396 2.552) 14.060 1.662 ( -0.563 -1.101 -7.590) 7.691 1.951 ( -15.434 0.142 -0.319) 15.438 2.009 ( 2.415 0.552 -1.202) 2.754 2.100 ( 4.075 -0.677 6.060) 7.334 2.434 ( -7.445 -0.000 -1.729) 7.644 2.604 ( 5.785 -0.346 1.381) 5.957 2.695 ( -4.623 -0.205 -6.489) 7.969 2.731 ( -9.500 -0.581 5.595) 11.041 2.996 ( 0.071 -0.019 -4.843) 4.844 3.324 ( -4.016 0.602 -2.992) 5.044 3.429 ( -2.813 1.327 1.625) 3.510 3.647 ( 0.386 1.143 5.808) 5.932 3.692 ( 7.726 0.300 -7.664) 10.887 3.830 ( -4.216 0.735 3.168) 5.325 3.985 ( -0.032 0.337 -2.189) 2.215 4.061 ( 1.305 -0.315 -2.948) 3.239 4.064 ( -0.171 0.198 -0.046) 0.266 4.279 ( 9.553 1.256 4.057) 10.454 4.322 ( 6.145 -0.029 11.156) 12.737 4.754 ( 1.168 0.317 -2.898) 3.141 4.873 ( 3.118 -0.921 0.681) 3.322 5.197 ( -8.398 -0.575 1.115) 8.491 5.537 ( 1.388 -3.058 -3.352) 4.745 ======================= Grid point 196 (64/196) ======================= q-point: (-0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -12.994 -2.854 4.207) 13.953 1.554 ( -13.901 -0.198 -2.795) 14.181 1.691 ( -8.236 -0.836 -6.295) 10.400 2.065 ( 3.309 0.444 -5.614) 6.532 2.202 ( 5.894 -0.591 3.954) 7.122 2.272 ( -11.233 -0.749 1.984) 11.432 2.527 ( -9.726 0.008 10.233) 14.118 2.561 ( -8.461 -0.122 -5.654) 10.177 2.688 ( 1.812 -0.617 -0.021) 1.915 2.952 ( -4.917 -0.478 0.397) 4.956 3.237 ( -3.830 0.951 -4.376) 5.893 3.392 ( 0.090 1.829 1.102) 2.137 3.617 ( -2.843 0.827 7.821) 8.363 3.722 ( -5.989 0.220 3.766) 7.078 3.839 ( 5.872 0.209 -9.006) 10.753 3.941 ( -2.572 0.527 -2.080) 3.350 4.061 ( -0.358 -0.419 -1.062) 1.196 4.153 ( 7.202 -0.594 -7.981) 10.766 4.433 ( 6.800 0.358 11.676) 13.516 4.514 ( 13.297 2.667 2.824) 13.853 4.809 ( 4.643 0.390 -2.663) 5.367 4.930 ( 2.134 -1.010 3.128) 3.919 5.051 ( -6.386 -0.352 1.200) 6.507 5.552 ( -2.399 -5.701 -4.571) 7.690 ======================= Grid point 197 (65/196) ======================= q-point: (-0.31 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -11.897 -0.433 5.240) 13.007 1.220 ( -18.390 0.712 2.432) 18.563 1.576 ( -5.887 -1.024 -10.763) 12.311 1.951 ( -21.648 -0.245 7.071) 22.775 2.115 ( 1.168 0.388 -9.401) 9.481 2.306 ( 2.032 -0.747 4.049) 4.592 2.392 ( -8.812 -0.046 -4.382) 9.842 2.435 ( 2.241 0.258 9.324) 9.593 2.656 ( -5.974 -1.045 -1.697) 6.297 2.854 ( -3.953 -0.196 7.696) 8.654 3.184 ( -1.298 0.104 -7.724) 7.833 3.404 ( 1.744 1.169 0.085) 2.102 3.525 ( -5.882 0.996 4.541) 7.498 3.625 ( -3.561 -0.137 7.683) 8.470 3.793 ( -6.972 0.222 -3.629) 7.863 4.009 ( 6.332 0.463 -7.929) 10.157 4.047 ( -1.390 -0.723 -1.378) 2.087 4.309 ( 7.315 -0.559 -10.870) 13.114 4.564 ( 6.848 0.105 11.505) 13.390 4.695 ( 4.043 0.410 5.011) 6.452 4.917 ( 6.368 0.980 -1.744) 6.675 4.963 ( 2.697 0.018 4.581) 5.315 5.010 ( 2.731 1.488 -0.908) 3.240 5.521 ( -4.705 -8.970 -5.746) 11.645 ======================= Grid point 198 (66/196) ======================= q-point: (-0.23 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -10.335 2.683 5.794) 12.149 0.863 ( -17.728 1.177 6.544) 18.934 1.435 ( -17.855 -0.235 3.782) 18.253 1.517 ( -13.326 0.517 -3.422) 13.768 2.072 ( -6.485 0.346 -13.924) 15.365 2.223 ( -7.790 -0.170 1.187) 7.882 2.298 ( -1.406 -0.659 9.608) 9.733 2.547 ( -2.493 -0.824 -1.004) 2.811 2.582 ( 9.236 -0.100 3.983) 10.058 2.789 ( -3.687 -0.277 8.064) 8.871 3.184 ( 1.002 -0.540 -9.114) 9.185 3.391 ( -5.562 0.506 1.933) 5.910 3.446 ( 1.276 0.517 -0.364) 1.424 3.584 ( -1.083 -0.386 8.534) 8.611 3.641 ( -8.064 0.217 -2.794) 8.537 4.018 ( -1.773 -0.577 -1.032) 2.131 4.110 ( 3.810 0.287 -9.142) 9.908 4.379 ( -1.574 -0.507 -8.501) 8.660 4.686 ( 5.271 -0.287 8.908) 10.355 4.720 ( 1.830 -0.937 4.383) 4.841 5.014 ( 3.032 -0.493 1.839) 3.580 5.044 ( 4.467 0.141 1.602) 4.747 5.067 ( 0.388 -2.394 -0.328) 2.447 5.516 ( 0.792 -6.386 -7.209) 9.664 ======================= Grid point 199 (67/196) ======================= q-point: (-0.15 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -7.659 5.612 5.960) 11.210 0.546 ( -13.216 1.823 13.793) 19.189 0.951 ( -24.031 1.501 21.971) 32.596 1.422 ( -2.505 -0.057 -14.083) 14.304 1.888 ( -9.631 0.295 -14.343) 17.279 2.120 ( -3.172 0.040 6.820) 7.522 2.285 ( -0.339 -0.768 11.459) 11.490 2.542 ( 1.294 -0.508 -5.077) 5.264 2.712 ( -3.878 -0.243 7.805) 8.719 2.801 ( 12.453 -1.456 5.149) 13.554 3.217 ( 1.609 -0.633 -8.006) 8.191 3.291 ( -3.879 0.274 2.042) 4.392 3.444 ( -3.907 -0.296 -5.586) 6.823 3.512 ( -2.537 -0.323 -0.638) 2.636 3.592 ( 0.920 -0.842 7.764) 7.864 3.991 ( -1.193 -0.186 -0.654) 1.373 4.124 ( -3.886 -0.399 -9.540) 10.309 4.290 ( -5.751 -0.092 -2.957) 6.467 4.740 ( -3.051 0.061 1.881) 3.585 4.772 ( 2.420 -0.826 -3.834) 4.608 4.982 ( -10.048 -21.142 9.592) 25.297 5.080 ( 1.763 -0.926 5.728) 6.064 5.126 ( 3.484 2.269 1.315) 4.361 5.608 ( 6.047 4.046 -9.802) 12.207 ======================= Grid point 200 (68/196) ======================= q-point: (-0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( 0.000 6.898 7.518) 10.203 0.397 ( 0.000 2.262 19.915) 20.043 0.655 ( 0.000 1.576 33.126) 33.163 1.398 ( 0.000 0.027 -14.700) 14.700 1.782 ( 0.000 0.236 -13.424) 13.427 2.090 ( 0.000 0.333 7.901) 7.908 2.290 ( -0.000 -0.866 11.735) 11.767 2.568 ( -0.000 -0.451 -8.951) 8.962 2.664 ( 0.000 0.001 9.888) 9.888 3.052 ( -0.000 -7.409 -0.071) 7.409 3.238 ( -0.000 -0.420 -6.724) 6.737 3.249 ( -0.000 -0.400 2.082) 2.120 3.374 ( -0.000 -0.013 -5.971) 5.971 3.484 ( -0.000 -0.408 -1.313) 1.375 3.617 ( -0.000 -0.637 6.269) 6.301 3.964 ( 0.000 0.151 3.514) 3.517 3.987 ( -0.000 -0.082 0.231) 0.245 4.223 ( 0.000 0.228 -1.445) 1.463 4.641 ( -0.000 -4.587 -0.245) 4.594 4.803 ( -0.000 -0.590 -5.686) 5.717 5.022 ( -0.000 -24.437 19.215) 31.086 5.104 ( -0.000 -1.099 7.240) 7.323 5.148 ( 0.000 1.572 1.111) 1.925 5.628 ( 0.000 12.545 -12.322) 17.584 ======================= Grid point 203 (69/196) ======================= q-point: ( 0.15 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 14.467 0.000 3.788) 14.955 1.556 ( 15.806 0.000 -1.797) 15.908 1.711 ( 6.835 0.000 -7.526) 10.167 2.056 ( -3.376 -0.000 -5.765) 6.681 2.214 ( -5.892 -0.000 4.150) 7.207 2.289 ( 10.593 0.000 2.293) 10.838 2.527 ( 10.785 0.000 10.327) 14.931 2.563 ( 8.525 0.000 -6.057) 10.458 2.701 ( -2.455 -0.000 0.266) 2.469 2.962 ( 5.030 0.000 0.312) 5.040 3.216 ( 3.114 0.000 -3.879) 4.974 3.353 ( -0.102 -0.000 1.398) 1.401 3.599 ( 2.904 0.000 6.775) 7.371 3.716 ( 5.579 0.000 4.365) 7.084 3.835 ( -6.283 -0.000 -9.050) 11.017 3.930 ( 3.014 0.000 -2.161) 3.708 4.069 ( -0.374 -0.000 -1.146) 1.206 4.164 ( -7.334 -0.000 -8.273) 11.056 4.429 ( -6.373 -0.000 11.942) 13.536 4.457 ( -12.920 -0.000 3.004) 13.265 4.802 ( -4.219 -0.000 -2.764) 5.043 4.944 ( -2.343 -0.000 1.683) 2.884 5.066 ( 7.521 0.000 3.526) 8.306 5.675 ( -1.425 -0.000 -5.380) 5.565 ======================= Grid point 204 (70/196) ======================= q-point: ( 0.23 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 12.734 0.756 2.009) 12.914 1.691 ( -0.335 0.260 -7.241) 7.253 1.947 ( 15.502 -0.031 -0.313) 15.505 1.997 ( -2.485 -0.093 -1.413) 2.860 2.115 ( -4.180 0.116 6.407) 7.651 2.434 ( 6.525 -0.006 -1.478) 6.690 2.612 ( -6.355 0.068 1.477) 6.525 2.703 ( 5.084 0.083 -7.132) 8.759 2.747 ( 10.154 0.158 5.538) 11.567 2.995 ( -1.327 -0.025 -5.245) 5.410 3.304 ( 5.161 -0.229 -1.650) 5.423 3.395 ( 4.288 -0.293 1.707) 4.624 3.620 ( -0.428 -0.231 5.199) 5.221 3.683 ( -8.117 -0.093 -7.992) 11.391 3.811 ( 3.656 -0.169 3.960) 5.392 3.976 ( 0.060 -0.087 -2.134) 2.136 4.056 ( -0.203 -0.078 0.797) 0.827 4.072 ( -1.839 0.086 -3.833) 4.252 4.249 ( -7.851 -0.247 4.138) 8.879 4.322 ( -4.827 0.006 11.068) 12.075 4.747 ( -1.437 -0.061 -2.922) 3.257 4.893 ( -2.975 0.148 0.183) 2.984 5.215 ( 7.605 0.177 2.134) 7.901 5.618 ( -4.174 0.745 -3.619) 5.574 ======================= Grid point 205 (71/196) ======================= q-point: ( 0.31 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 8.919 0.993 -0.807) 9.011 1.609 ( -7.699 -0.209 -3.739) 8.562 1.972 ( 0.085 -0.032 2.666) 2.667 2.035 ( -2.840 0.019 4.995) 5.746 2.239 ( 13.117 0.002 1.241) 13.176 2.459 ( -9.548 0.035 1.695) 9.698 2.571 ( 7.465 -0.224 -5.253) 9.131 2.718 ( -3.852 0.252 -7.135) 8.113 2.902 ( 6.159 0.438 0.765) 6.221 2.950 ( -2.927 -0.350 -3.869) 4.864 3.396 ( 4.674 -0.035 -3.627) 5.916 3.473 ( -0.266 -0.093 -2.653) 2.668 3.566 ( -0.402 0.125 -2.598) 2.632 3.599 ( -2.217 -0.592 1.397) 2.686 3.870 ( 3.282 -0.218 4.831) 5.844 3.940 ( -2.628 -0.141 1.786) 3.180 4.064 ( 0.316 -0.201 0.345) 0.509 4.075 ( 1.153 0.128 -0.154) 1.170 4.173 ( -0.381 -0.117 5.526) 5.540 4.236 ( -4.068 0.191 8.893) 9.781 4.748 ( 1.413 -0.276 -2.206) 2.635 4.830 ( -3.279 0.358 -1.022) 3.453 5.349 ( 6.254 -0.088 0.141) 6.256 5.508 ( -6.707 0.674 -2.029) 7.039 ======================= Grid point 206 (72/196) ======================= q-point: (-0.62 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -12.653 -1.453 0.084) 12.737 1.617 ( 3.985 0.016 -4.713) 6.172 1.989 ( 0.959 0.762 3.358) 3.575 2.019 ( 1.811 -0.759 4.279) 4.708 2.240 ( -13.093 0.034 1.248) 13.152 2.455 ( 9.247 -0.054 1.702) 9.403 2.589 ( -8.008 0.281 -5.445) 9.688 2.696 ( 4.046 -0.386 -7.155) 8.229 2.871 ( -5.908 -0.442 1.291) 6.063 2.978 ( 2.187 0.462 -3.858) 4.458 3.398 ( -3.945 0.026 -4.098) 5.689 3.481 ( 1.402 0.163 -1.686) 2.199 3.567 ( 2.165 0.100 -3.605) 4.207 3.639 ( 3.755 0.602 1.568) 4.113 3.895 ( -1.599 0.576 3.760) 4.126 3.948 ( 3.646 0.027 1.322) 3.878 4.061 ( -0.779 -0.228 -0.202) 0.836 4.084 ( -0.304 0.327 0.720) 0.847 4.184 ( 0.486 0.207 6.229) 6.251 4.216 ( 3.967 -0.405 9.074) 9.912 4.772 ( -2.076 0.422 -2.177) 3.037 4.797 ( 3.035 -0.610 -0.858) 3.212 5.358 ( -8.424 0.168 -0.506) 8.441 5.452 ( 3.899 -0.947 -1.758) 4.380 ======================= Grid point 207 (73/196) ======================= q-point: (-0.54 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -13.697 -2.913 2.819) 14.284 1.650 ( -0.921 -0.921 -7.728) 7.837 1.953 ( -15.448 0.122 -0.312) 15.451 2.015 ( 2.366 0.571 -1.273) 2.747 2.092 ( 4.108 -0.684 6.084) 7.373 2.434 ( -7.810 -0.009 -1.830) 8.021 2.600 ( 5.524 -0.305 1.292) 5.681 2.693 ( -4.302 -0.124 -6.480) 7.779 2.725 ( -9.384 -0.471 5.839) 11.063 2.995 ( -0.390 -0.053 -4.658) 4.675 3.330 ( -3.616 0.412 -3.413) 4.990 3.444 ( -2.219 1.124 1.580) 2.946 3.661 ( 0.237 1.047 6.009) 6.104 3.695 ( 7.722 0.185 -7.655) 10.875 3.838 ( -4.550 0.606 2.924) 5.442 3.988 ( -0.008 0.270 -2.202) 2.219 4.057 ( 1.426 -0.341 -3.269) 3.583 4.067 ( -0.796 0.217 0.384) 0.910 4.293 ( 10.211 1.196 4.365) 11.169 4.321 ( 6.958 -0.091 10.754) 12.809 4.758 ( 1.073 0.300 -2.872) 3.080 4.862 ( 3.034 -0.894 0.871) 3.281 5.191 ( -8.621 -0.415 0.711) 8.660 5.504 ( 0.255 -2.531 -3.260) 4.135 ======================= Grid point 208 (74/196) ======================= q-point: (-0.46 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -11.991 -2.694 4.471) 13.078 1.551 ( -12.659 -0.324 -3.499) 13.137 1.682 ( -9.255 -0.689 -5.475) 10.775 2.070 ( 3.266 0.473 -5.572) 6.476 2.195 ( 5.925 -0.606 3.929) 7.135 2.264 ( -11.529 -0.672 1.838) 11.694 2.528 ( -9.345 0.007 10.258) 13.877 2.560 ( -8.324 -0.164 -5.571) 10.018 2.681 ( 1.432 -0.583 -0.217) 1.562 2.946 ( -4.871 -0.441 0.547) 4.921 3.248 ( -4.030 0.836 -4.744) 6.280 3.413 ( 0.037 1.743 1.002) 2.011 3.626 ( -2.943 0.749 8.331) 8.867 3.724 ( -6.310 0.117 3.499) 7.216 3.842 ( 5.665 0.179 -9.015) 10.649 3.947 ( -2.330 0.519 -2.015) 3.124 4.056 ( -0.730 -0.454 -1.004) 1.322 4.146 ( 7.138 -0.593 -7.783) 10.577 4.438 ( 6.781 0.393 11.829) 13.641 4.545 ( 13.638 2.663 2.433) 14.107 4.814 ( 4.916 0.428 -2.553) 5.556 4.916 ( 1.741 -1.333 3.561) 4.182 5.050 ( -5.278 0.027 0.210) 5.282 5.486 ( -4.413 -5.366 -4.198) 8.117 ======================= Grid point 209 (75/196) ======================= q-point: (-0.38 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -9.803 -0.084 5.216) 11.104 1.229 ( -18.029 0.743 2.467) 18.213 1.563 ( -5.743 -1.146 -10.370) 11.909 1.948 ( -20.968 -0.254 6.617) 21.989 2.119 ( 1.161 0.391 -9.193) 9.274 2.297 ( 1.940 -0.794 4.110) 4.614 2.391 ( -8.828 -0.052 -4.432) 9.878 2.438 ( 2.134 0.251 9.215) 9.462 2.643 ( -6.051 -1.134 -1.912) 6.446 2.851 ( -3.945 -0.235 7.815) 8.757 3.186 ( -1.827 0.202 -7.797) 8.011 3.419 ( 1.156 1.286 -0.025) 1.729 3.536 ( -5.829 0.795 4.665) 7.508 3.622 ( -3.778 -0.345 7.577) 8.473 3.795 ( -6.931 0.233 -3.638) 7.831 4.015 ( 6.187 0.485 -7.767) 9.942 4.038 ( -1.386 -0.785 -1.324) 2.071 4.302 ( 7.368 -0.592 -10.646) 12.961 4.565 ( 6.519 0.079 11.659) 13.358 4.698 ( 1.352 0.076 5.633) 5.793 4.929 ( 6.668 1.144 -1.505) 6.931 4.964 ( 4.182 0.082 3.480) 5.441 5.032 ( 3.492 2.251 -1.278) 4.347 5.413 ( -6.189 -9.195 -4.682) 12.032 ======================= Grid point 210 (76/196) ======================= q-point: (-0.31 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -7.847 3.754 5.253) 10.162 0.879 ( -17.263 1.421 6.603) 18.538 1.431 ( -15.296 -0.456 1.289) 15.357 1.524 ( -14.937 0.671 -1.160) 14.997 2.076 ( -6.508 0.366 -13.633) 15.111 2.221 ( -7.761 -0.134 1.209) 7.856 2.289 ( -1.554 -0.846 9.381) 9.546 2.536 ( -2.417 -0.932 -1.333) 2.913 2.580 ( 9.020 -0.126 3.745) 9.767 2.786 ( -3.714 -0.341 8.375) 9.168 3.177 ( 0.676 -0.606 -9.303) 9.347 3.396 ( -5.426 0.389 1.549) 5.656 3.452 ( 0.210 0.460 0.030) 0.506 3.578 ( -1.422 -0.620 8.407) 8.548 3.643 ( -8.104 0.207 -2.725) 8.552 4.011 ( -1.639 -0.708 -0.956) 2.025 4.113 ( 3.626 0.325 -8.947) 9.659 4.373 ( -1.523 -0.515 -8.106) 8.263 4.680 ( 4.738 -0.708 8.288) 9.573 4.707 ( 2.337 -1.379 5.897) 6.492 4.981 ( -8.898 -5.349 -0.050) 10.382 5.029 ( 1.552 -0.565 1.812) 2.452 5.073 ( 5.575 1.765 1.512) 6.040 5.459 ( 7.699 -3.244 -5.547) 10.028 ======================= Grid point 211 (77/196) ======================= q-point: (-0.23 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -5.340 7.362 4.522) 10.157 0.571 ( -12.276 2.487 13.498) 18.414 0.971 ( -23.354 1.789 20.807) 31.329 1.421 ( -2.373 0.016 -13.746) 13.950 1.892 ( -9.579 0.380 -14.188) 17.123 2.121 ( -3.012 -0.020 6.897) 7.526 2.274 ( -0.538 -1.016 11.348) 11.406 2.534 ( 1.252 -0.762 -5.264) 5.465 2.708 ( -3.584 -0.298 8.165) 8.922 2.784 ( 10.451 -1.293 4.210) 11.341 3.207 ( 1.527 -0.978 -8.520) 8.711 3.292 ( -4.411 -0.105 1.937) 4.819 3.439 ( -3.872 -0.467 -5.442) 6.695 3.508 ( -3.231 -0.355 -0.543) 3.296 3.580 ( 0.318 -1.192 8.049) 8.143 3.988 ( -0.977 -0.357 -0.569) 1.186 4.118 ( -4.880 -0.649 -8.333) 9.679 4.289 ( -5.334 -0.072 -2.799) 6.024 4.710 ( -17.471 -9.238 0.468) 19.769 4.759 ( 2.605 -1.383 -3.730) 4.755 4.792 ( 1.085 -6.293 16.057) 17.281 5.076 ( 2.091 -0.115 5.274) 5.675 5.157 ( 3.841 2.998 1.710) 5.164 5.644 ( 9.043 2.355 -8.242) 12.460 ======================= Grid point 212 (78/196) ======================= q-point: (-0.15 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 0.000 8.890 4.833) 10.119 0.433 ( 0.000 3.700 18.164) 18.537 0.679 ( 0.000 2.418 31.412) 31.505 1.399 ( 0.000 0.129 -14.522) 14.522 1.786 ( 0.000 0.418 -13.341) 13.348 2.093 ( 0.000 0.202 8.078) 8.080 2.278 ( -0.000 -1.229 11.941) 12.005 2.560 ( -0.000 -0.809 -8.743) 8.780 2.664 ( 0.000 0.001 9.884) 9.884 2.965 ( -0.000 -6.641 4.517) 8.031 3.230 ( -0.000 -0.854 -7.317) 7.367 3.242 ( -0.000 -0.706 2.075) 2.192 3.374 ( -0.000 -0.031 -5.959) 5.959 3.477 ( -0.000 -0.715 -1.325) 1.505 3.603 ( -0.000 -1.628 6.979) 7.166 3.967 ( 0.000 0.266 3.536) 3.546 3.986 ( -0.000 -0.169 0.200) 0.262 4.227 ( 0.000 0.397 -1.449) 1.502 4.555 ( -0.000 -8.814 5.484) 10.381 4.794 ( -0.000 -0.974 -5.725) 5.808 4.845 ( -0.000 -6.741 17.292) 18.560 5.099 ( -0.000 -0.238 6.152) 6.157 5.177 ( 0.000 3.018 1.702) 3.465 5.721 ( 0.000 4.762 -11.211) 12.180 ======================= Grid point 217 (79/196) ======================= q-point: ( 0.23 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 8.763 0.000 -0.879) 8.807 1.607 ( -8.071 -0.000 -3.659) 8.862 1.972 ( 0.189 0.000 2.615) 2.621 2.035 ( -2.939 -0.000 5.050) 5.843 2.239 ( 13.126 0.000 1.242) 13.185 2.459 ( -9.575 -0.000 1.692) 9.723 2.569 ( 7.435 0.000 -5.236) 9.094 2.720 ( -3.854 -0.000 -7.134) 8.109 2.905 ( 6.172 0.000 0.733) 6.215 2.948 ( -2.952 -0.000 -3.876) 4.872 3.396 ( 4.771 0.000 -3.593) 5.973 3.472 ( -0.214 -0.000 -2.711) 2.720 3.566 ( -0.275 -0.000 -2.711) 2.724 3.595 ( -2.112 -0.000 1.527) 2.606 3.869 ( 3.419 0.000 4.966) 6.029 3.940 ( -2.599 -0.000 1.787) 3.154 4.063 ( 0.323 0.000 0.383) 0.501 4.076 ( 1.155 0.000 -0.195) 1.171 4.173 ( -0.354 -0.000 5.464) 5.476 4.237 ( -4.078 -0.000 8.872) 9.765 4.747 ( 1.358 0.000 -2.208) 2.592 4.832 ( -3.278 -0.000 -1.036) 3.437 5.349 ( 6.096 0.000 0.189) 6.099 5.512 ( -6.904 -0.000 -2.048) 7.201 ======================= Grid point 218 (80/196) ======================= q-point: ( 0.31 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -13.243 -0.531 0.196) 13.255 1.617 ( 3.571 -0.003 -4.832) 6.008 1.998 ( 0.956 0.861 3.371) 3.608 2.009 ( 1.807 -0.861 4.269) 4.715 2.240 ( -13.104 0.014 1.254) 13.164 2.455 ( 9.218 -0.020 1.697) 9.373 2.591 ( -8.104 0.099 -5.462) 9.773 2.693 ( 4.108 -0.140 -7.162) 8.258 2.867 ( -5.864 -0.151 1.353) 6.020 2.982 ( 2.024 0.164 -3.849) 4.352 3.398 ( -3.914 0.010 -4.174) 5.722 3.483 ( 1.602 0.063 -1.540) 2.223 3.567 ( 2.417 0.040 -3.836) 4.534 3.644 ( 3.937 0.211 1.617) 4.261 3.900 ( -1.488 0.235 3.776) 4.065 3.948 ( 3.962 -0.010 1.158) 4.128 4.059 ( -0.742 -0.085 -0.135) 0.759 4.086 ( -0.242 0.119 0.744) 0.792 4.186 ( 0.388 0.082 6.274) 6.286 4.213 ( 4.021 -0.158 9.099) 9.949 4.776 ( -2.155 0.159 -2.188) 3.075 4.792 ( 2.971 -0.231 -0.826) 3.093 5.359 ( -8.709 0.063 -0.590) 8.729 5.444 ( 3.517 -0.341 -1.721) 3.930 ======================= Grid point 219 (81/196) ======================= q-point: (-0.62 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -13.913 -1.687 3.027) 14.338 1.641 ( -1.171 -0.524 -7.824) 7.929 1.954 ( -15.468 0.071 -0.303) 15.471 2.021 ( 2.284 0.402 -1.501) 2.762 2.085 ( 4.195 -0.469 6.280) 7.567 2.434 ( -8.064 -0.009 -1.900) 8.285 2.597 ( 5.339 -0.178 1.215) 5.479 2.692 ( -4.016 -0.051 -6.630) 7.752 2.720 ( -9.378 -0.264 6.157) 11.222 2.995 ( -0.698 -0.044 -4.524) 4.577 3.334 ( -3.361 0.202 -3.670) 4.981 3.454 ( -1.796 0.643 1.544) 2.454 3.671 ( -0.126 0.664 6.440) 6.476 3.697 ( 7.996 0.046 -8.004) 11.313 3.844 ( -4.830 0.338 2.782) 5.584 3.991 ( 0.011 0.148 -2.210) 2.215 4.054 ( 1.336 -0.196 -3.122) 3.401 4.069 ( -1.107 0.115 0.350) 1.167 4.306 ( 10.566 0.908 4.983) 11.717 4.319 ( 7.730 -0.245 10.037) 12.672 4.761 ( 1.019 0.192 -2.850) 3.033 4.853 ( 2.908 -0.567 1.002) 3.127 5.188 ( -8.736 -0.208 0.434) 8.750 5.480 ( -0.550 -1.429 -3.201) 3.549 ======================= Grid point 220 (82/196) ======================= q-point: (-0.54 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -11.017 -1.908 4.703) 12.129 1.547 ( -11.553 -0.322 -4.144) 12.278 1.676 ( -10.203 -0.419 -4.737) 11.257 2.075 ( 3.215 0.376 -5.582) 6.452 2.188 ( 5.974 -0.468 3.979) 7.193 2.257 ( -11.762 -0.464 1.724) 11.897 2.528 ( -9.114 0.004 10.333) 13.778 2.558 ( -8.161 -0.146 -5.581) 9.888 2.675 ( 1.098 -0.414 -0.403) 1.240 2.942 ( -4.833 -0.309 0.710) 4.895 3.256 ( -4.115 0.559 -5.067) 6.551 3.431 ( 0.008 1.273 0.919) 1.570 3.634 ( -3.101 0.515 8.725) 9.274 3.725 ( -6.662 0.009 3.316) 7.441 3.843 ( 5.511 0.118 -9.042) 10.589 3.952 ( -2.130 0.383 -1.949) 2.913 4.051 ( -1.025 -0.358 -0.950) 1.442 4.139 ( 7.088 -0.438 -7.605) 10.406 4.442 ( 6.753 0.300 11.942) 13.723 4.573 ( 13.866 2.010 2.148) 14.175 4.819 ( 5.152 0.355 -2.408) 5.698 4.901 ( 1.448 -1.173 3.599) 4.053 5.051 ( -4.165 0.238 -0.372) 4.188 5.431 ( -6.150 -3.851 -3.922) 8.248 ======================= Grid point 221 (83/196) ======================= q-point: (-0.46 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -7.575 0.289 5.084) 9.128 1.237 ( -17.677 0.602 2.490) 17.861 1.550 ( -5.616 -1.001 -9.978) 11.494 1.945 ( -20.435 -0.246 6.290) 21.382 2.123 ( 1.160 0.324 -9.105) 9.185 2.288 ( 1.857 -0.665 4.256) 4.691 2.391 ( -8.850 -0.048 -4.490) 9.924 2.441 ( 2.112 0.194 9.105) 9.348 2.631 ( -6.157 -0.958 -2.121) 6.582 2.849 ( -3.937 -0.212 7.941) 8.866 3.189 ( -2.287 0.239 -7.931) 8.258 3.433 ( 0.700 1.183 -0.147) 1.383 3.543 ( -6.008 0.419 4.645) 7.606 3.617 ( -4.008 -0.492 7.685) 8.681 3.798 ( -6.893 0.194 -3.642) 7.799 4.020 ( 5.642 0.346 -7.309) 9.240 4.030 ( -0.970 -0.612 -1.570) 1.945 4.296 ( 7.456 -0.488 -10.445) 12.842 4.566 ( 6.124 0.038 11.815) 13.307 4.697 ( -0.910 -0.199 6.172) 6.242 4.942 ( 6.957 1.057 -1.162) 7.132 4.965 ( 5.088 0.088 2.302) 5.586 5.063 ( 4.264 2.993 -1.584) 5.445 5.312 ( -6.863 -8.028 -3.819) 11.231 ======================= Grid point 222 (84/196) ======================= q-point: (-0.38 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -5.308 4.123 4.499) 8.088 0.895 ( -16.778 1.330 6.682) 18.109 1.425 ( -13.393 -0.591 -0.299) 13.409 1.531 ( -15.914 0.570 0.302) 15.927 2.080 ( -6.551 0.309 -13.350) 14.875 2.220 ( -7.744 -0.035 1.177) 7.833 2.279 ( -1.670 -0.874 9.253) 9.443 2.526 ( -2.571 -0.866 -1.708) 3.206 2.579 ( 9.121 -0.092 3.559) 9.791 2.782 ( -3.746 -0.331 8.683) 9.462 3.170 ( 0.272 -0.498 -9.469) 9.486 3.400 ( -5.802 0.281 1.542) 6.011 3.455 ( -0.529 0.113 -0.262) 0.601 3.570 ( -1.604 -0.730 8.760) 8.935 3.645 ( -8.240 0.164 -2.798) 8.703 4.002 ( -1.518 -0.694 -0.848) 1.872 4.117 ( 3.400 0.284 -8.735) 9.378 4.367 ( -1.434 -0.403 -7.783) 7.924 4.670 ( 3.900 -1.108 9.207) 10.060 4.688 ( 1.802 -1.744 6.184) 6.674 4.917 ( -15.917 -4.934 -1.055) 16.697 5.027 ( 2.577 0.031 2.792) 3.800 5.094 ( 7.021 1.846 1.165) 7.352 5.437 ( 12.700 -0.743 -4.595) 13.526 ======================= Grid point 223 (85/196) ======================= q-point: (-0.31 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -3.507 7.674 3.288) 9.055 0.601 ( -11.284 2.534 13.223) 17.567 0.990 ( -22.760 1.355 19.626) 30.084 1.422 ( -2.197 0.118 -13.324) 13.504 1.897 ( -9.491 0.377 -13.981) 16.902 2.120 ( -2.965 -0.049 6.894) 7.505 2.262 ( -0.674 -1.057 11.216) 11.286 2.525 ( 1.207 -0.857 -5.458) 5.655 2.705 ( -3.340 -0.228 8.475) 9.113 2.772 ( 9.118 -0.855 3.289) 9.730 3.195 ( 1.350 -1.112 -8.993) 9.161 3.288 ( -5.024 -0.535 1.958) 5.418 3.433 ( -3.685 -0.548 -5.282) 6.463 3.504 ( -4.107 -0.267 -0.678) 4.171 3.565 ( -0.164 -1.245 8.500) 8.593 3.982 ( -0.824 -0.507 -0.449) 1.067 4.110 ( -5.909 -0.747 -6.652) 8.929 4.289 ( -4.885 -0.010 -2.645) 5.555 4.583 ( -16.106 -9.293 8.574) 20.476 4.746 ( 2.992 -1.042 -4.243) 5.295 4.776 ( 2.451 0.199 8.486) 8.835 5.075 ( 2.062 0.020 5.086) 5.488 5.193 ( 4.287 3.117 1.944) 5.646 5.667 ( 9.911 1.579 -6.994) 12.232 ======================= Grid point 224 (86/196) ======================= q-point: (-0.23 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 9.041 3.931) 9.859 0.480 ( 0.000 4.071 16.273) 16.774 0.707 ( 0.000 2.209 29.191) 29.274 1.401 ( 0.000 0.259 -14.218) 14.220 1.792 ( 0.000 0.507 -13.224) 13.234 2.094 ( -0.000 -0.042 8.285) 8.285 2.263 ( -0.000 -1.230 11.857) 11.921 2.550 ( -0.000 -0.986 -8.491) 8.548 2.664 ( 0.000 0.001 9.878) 9.878 2.905 ( -0.000 -3.739 4.540) 5.882 3.218 ( -0.000 -1.196 -8.057) 8.145 3.233 ( -0.000 -0.846 2.068) 2.235 3.373 ( -0.000 -0.052 -5.941) 5.941 3.468 ( -0.000 -0.848 -1.344) 1.589 3.582 ( -0.000 -1.935 8.070) 8.299 3.970 ( 0.000 0.319 3.564) 3.578 3.983 ( -0.000 -0.330 0.141) 0.359 4.232 ( 0.000 0.466 -1.453) 1.526 4.469 ( -0.000 -5.520 6.074) 8.208 4.782 ( -0.000 -1.009 -5.890) 5.976 4.808 ( -0.000 -1.163 11.418) 11.477 5.097 ( -0.000 -0.066 5.849) 5.849 5.216 ( 0.000 3.514 2.116) 4.102 5.759 ( 0.000 2.206 -9.117) 9.380 ======================= Grid point 231 (87/196) ======================= q-point: (-0.69 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -13.993 -0.000 3.105) 14.333 1.638 ( -1.261 -0.000 -7.858) 7.959 1.954 ( -15.478 -0.000 -0.299) 15.480 2.024 ( 2.230 0.000 -1.664) 2.782 2.082 ( 4.253 0.000 6.433) 7.712 2.434 ( -8.156 -0.000 -1.925) 8.380 2.596 ( 5.274 0.000 1.184) 5.405 2.692 ( -3.896 -0.000 -6.731) 7.777 2.719 ( -9.397 -0.000 6.315) 11.322 2.994 ( -0.805 -0.000 -4.474) 4.546 3.335 ( -3.275 -0.000 -3.754) 4.982 3.458 ( -1.642 -0.000 1.530) 2.245 3.675 ( -0.445 -0.000 6.859) 6.873 3.697 ( 8.288 0.000 -8.406) 11.805 3.846 ( -4.940 -0.000 2.737) 5.648 3.992 ( 0.017 0.000 -2.213) 2.213 4.053 ( 1.299 0.000 -3.057) 3.322 4.070 ( -1.224 -0.000 0.335) 1.269 4.313 ( 12.355 0.000 3.039) 12.723 4.316 ( 6.366 0.000 11.939) 13.530 4.762 ( 1.004 0.000 -2.843) 3.015 4.850 ( 2.846 0.000 1.050) 3.033 5.187 ( -8.768 -0.000 0.337) 8.775 5.471 ( -0.843 -0.000 -3.181) 3.291 ======================= Grid point 233 (88/196) ======================= q-point: (-0.62 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -10.400 -0.687 4.838) 11.491 1.544 ( -10.920 -0.137 -4.520) 11.820 1.672 ( -10.759 -0.136 -4.312) 11.592 2.079 ( 3.176 0.146 -5.617) 6.454 2.185 ( 6.017 -0.178 4.048) 7.254 2.253 ( -11.893 -0.166 1.662) 12.009 2.528 ( -9.018 0.001 10.410) 13.773 2.557 ( -8.046 -0.059 -5.630) 9.820 2.672 ( 0.900 -0.149 -0.516) 1.049 2.940 ( -4.812 -0.111 0.815) 4.881 3.260 ( -4.134 0.195 -5.251) 6.686 3.442 ( 0.009 0.471 0.865) 0.985 3.638 ( -3.219 0.182 8.938) 9.502 3.725 ( -6.908 -0.015 3.230) 7.625 3.844 ( 5.432 0.041 -9.065) 10.568 3.955 ( -2.017 0.141 -1.907) 2.780 4.048 ( -1.185 -0.137 -0.917) 1.504 4.136 ( 7.062 -0.161 -7.500) 10.303 4.444 ( 6.734 0.112 11.998) 13.759 4.590 ( 13.972 0.756 2.015) 14.137 4.822 ( 5.275 0.144 -2.292) 5.753 4.891 ( 1.349 -0.475 3.479) 3.762 5.054 ( -3.447 0.135 -0.612) 3.504 5.400 ( -7.209 -1.410 -3.780) 8.261 ======================= Grid point 234 (89/196) ======================= q-point: (-0.54 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -5.838 0.327 4.908) 7.634 1.242 ( -17.418 0.332 2.498) 17.600 1.540 ( -5.539 -0.588 -9.682) 11.170 1.943 ( -20.119 -0.164 6.108) 21.026 2.127 ( 1.157 0.188 -9.102) 9.177 2.282 ( 1.798 -0.381 4.420) 4.787 2.390 ( -8.860 -0.030 -4.532) 9.952 2.442 ( 2.136 0.104 9.015) 9.265 2.622 ( -6.252 -0.548 -2.275) 6.676 2.847 ( -3.932 -0.125 8.037) 8.949 3.191 ( -2.586 0.164 -8.057) 8.463 3.445 ( 0.482 0.765 -0.290) 0.949 3.546 ( -6.352 0.110 4.477) 7.772 3.612 ( -4.156 -0.382 8.000) 9.023 3.800 ( -6.868 0.111 -3.642) 7.775 4.021 ( 0.890 -0.178 -3.238) 3.363 4.026 ( 3.692 0.022 -5.484) 6.611 4.291 ( 7.538 -0.275 -10.306) 12.772 4.566 ( 5.793 0.010 11.927) 13.260 4.695 ( -2.295 -0.206 6.504) 6.900 4.953 ( 7.472 0.729 -0.752) 7.545 4.965 ( 5.232 -0.036 1.366) 5.408 5.102 ( 5.540 3.621 -1.895) 6.884 5.229 ( -7.803 -6.190 -3.217) 10.467 ======================= Grid point 235 (90/196) ======================= q-point: (-0.46 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -3.290 3.302 3.711) 5.958 0.908 ( -16.382 0.933 6.761) 17.747 1.418 ( -12.342 -0.525 -0.906) 12.386 1.537 ( -16.286 0.322 0.932) 16.316 2.083 ( -6.602 0.204 -13.147) 14.713 2.220 ( -7.769 0.056 1.040) 7.839 2.269 ( -1.708 -0.695 9.313) 9.494 2.517 ( -2.722 -0.620 -2.007) 3.438 2.578 ( 9.284 -0.043 3.405) 9.889 2.778 ( -3.778 -0.241 8.923) 9.693 3.166 ( -0.100 -0.301 -9.599) 9.605 3.403 ( -6.634 0.222 1.895) 6.903 3.454 ( -0.728 -0.197 -1.119) 1.350 3.562 ( -1.633 -0.590 9.399) 9.558 3.647 ( -8.374 0.108 -2.908) 8.866 3.995 ( -1.443 -0.515 -0.728) 1.696 4.120 ( 3.190 0.188 -8.556) 9.133 4.363 ( -1.340 -0.242 -7.576) 7.698 4.654 ( 1.647 -1.542 12.991) 13.186 4.671 ( 1.295 -1.069 3.095) 3.521 4.873 ( -16.177 -2.597 -1.388) 16.443 5.028 ( 2.739 0.061 2.974) 4.044 5.113 ( 7.841 1.343 1.022) 8.021 5.435 ( 14.958 0.158 -4.073) 15.503 ======================= Grid point 236 (91/196) ======================= q-point: (-0.38 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -2.201 6.555 2.263) 7.275 0.628 ( -10.451 2.023 13.009) 16.809 1.001 ( -22.470 0.553 18.825) 29.319 1.424 ( -2.016 0.166 -12.908) 13.066 1.901 ( -9.386 0.301 -13.778) 16.674 2.120 ( -3.002 -0.019 6.796) 7.430 2.250 ( -0.747 -0.900 11.129) 11.190 2.515 ( 1.171 -0.740 -5.616) 5.785 2.703 ( -3.291 -0.113 8.713) 9.314 2.764 ( 8.545 -0.498 2.591) 8.943 3.183 ( 1.092 -0.964 -9.317) 9.430 3.281 ( -5.470 -0.678 2.050) 5.880 3.427 ( -3.409 -0.494 -5.153) 6.198 3.502 ( -4.936 -0.149 -1.036) 5.046 3.552 ( -0.379 -0.995 9.050) 9.112 3.976 ( -0.753 -0.521 -0.304) 0.965 4.102 ( -6.576 -0.607 -5.021) 8.296 4.289 ( -4.509 0.037 -2.532) 5.172 4.502 ( -11.817 -4.852 8.333) 15.252 4.734 ( 3.050 -0.862 -4.550) 5.545 4.780 ( 1.857 0.377 7.252) 7.495 5.076 ( 2.027 0.054 4.948) 5.347 5.227 ( 4.714 2.581 2.087) 5.765 5.682 ( 10.032 1.042 -6.079) 11.776 ======================= Grid point 237 (92/196) ======================= q-point: (-0.31 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.000 8.231 4.003) 9.152 0.525 ( 0.000 3.542 14.737) 15.157 0.727 ( 0.000 1.119 27.051) 27.074 1.405 ( 0.000 0.333 -13.834) 13.838 1.797 ( 0.000 0.479 -13.099) 13.108 2.093 ( -0.000 -0.128 8.299) 8.300 2.249 ( -0.000 -1.077 11.694) 11.743 2.538 ( -0.000 -0.937 -8.274) 8.327 2.664 ( -0.000 -0.000 9.871) 9.871 2.874 ( -0.000 -1.795 3.346) 3.797 3.203 ( -0.000 -1.289 -8.673) 8.768 3.223 ( -0.000 -0.793 2.064) 2.211 3.373 ( -0.000 -0.067 -5.913) 5.913 3.458 ( -0.000 -0.781 -1.373) 1.579 3.561 ( -0.000 -1.573 8.906) 9.044 3.974 ( 0.000 0.299 3.591) 3.604 3.978 ( -0.000 -0.448 0.120) 0.464 4.237 ( 0.000 0.428 -1.458) 1.519 4.423 ( -0.000 -2.674 3.989) 4.802 4.771 ( -0.000 -0.929 -6.193) 6.262 4.802 ( -0.000 -0.045 9.353) 9.353 5.097 ( 0.000 0.010 5.662) 5.662 5.256 ( 0.000 3.295 2.373) 4.061 5.778 ( 0.000 1.179 -7.578) 7.669 ======================= Grid point 246 (93/196) ======================= q-point: (-0.62 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -5.177 -0.000 4.825) 7.077 1.244 ( -17.323 -0.000 2.500) 17.503 1.537 ( -5.515 -0.000 -9.571) 11.046 1.942 ( -20.017 -0.000 6.052) 20.912 2.128 ( 1.154 0.000 -9.114) 9.186 2.280 ( 1.777 0.000 4.493) 4.831 2.390 ( -8.862 -0.000 -4.546) 9.960 2.443 ( 2.152 0.000 8.980) 9.234 2.619 ( -6.291 -0.000 -2.332) 6.709 2.846 ( -3.931 -0.000 8.073) 8.979 3.192 ( -2.687 -0.000 -8.107) 8.541 3.450 ( 0.444 0.000 -0.366) 0.576 3.547 ( -6.550 -0.000 4.368) 7.873 3.609 ( -4.198 -0.000 8.192) 9.205 3.800 ( -6.859 -0.000 -3.642) 7.766 4.019 ( -0.711 -0.000 -1.796) 1.931 4.027 ( 5.261 0.000 -6.868) 8.652 4.289 ( 7.572 0.000 -10.257) 12.749 4.566 ( 5.663 0.000 11.968) 13.240 4.693 ( -2.746 -0.000 6.612) 7.159 4.958 ( 8.310 0.000 -0.524) 8.326 4.964 ( 4.612 0.000 0.966) 4.712 5.136 ( 12.920 0.000 -1.955) 13.067 5.180 ( -15.034 -0.000 -3.073) 15.345 ======================= Grid point 248 (94/196) ======================= q-point: (-0.54 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -2.178 1.275 3.193) 4.070 0.916 ( -16.161 0.334 6.812) 17.541 1.413 ( -11.932 -0.215 -0.997) 11.975 1.539 ( -16.361 0.094 1.102) 16.398 2.085 ( -6.638 0.072 -13.047) 14.638 2.221 ( -7.836 0.046 0.842) 7.881 2.264 ( -1.668 -0.276 9.494) 9.643 2.512 ( -2.799 -0.226 -2.169) 3.548 2.578 ( 9.386 -0.011 3.312) 9.953 2.776 ( -3.798 -0.088 9.053) 9.818 3.163 ( -0.324 -0.097 -9.674) 9.680 3.405 ( -7.453 0.102 2.340) 7.812 3.452 ( -0.531 -0.149 -1.952) 2.029 3.557 ( -1.601 -0.224 9.888) 10.019 3.648 ( -8.450 0.038 -2.975) 8.959 3.991 ( -1.412 -0.191 -0.646) 1.565 4.121 ( 3.062 0.065 -8.454) 8.991 4.361 ( -1.280 -0.079 -7.481) 7.590 4.639 ( -0.718 -0.727 13.991) 14.029 4.663 ( 1.624 -0.313 2.175) 2.733 4.854 ( -14.989 -0.744 -1.335) 15.067 5.029 ( 2.788 0.025 3.008) 4.102 5.124 ( 8.255 0.489 0.973) 8.327 5.437 ( 15.733 0.144 -3.833) 16.194 ======================= Grid point 249 (95/196) ======================= q-point: (-0.46 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -1.300 3.918 1.506) 4.394 0.647 ( -9.880 1.100 12.802) 16.209 1.004 ( -22.536 -0.011 18.555) 29.192 1.426 ( -1.880 0.118 -12.609) 12.749 1.903 ( -9.302 0.167 -13.632) 16.504 2.120 ( -3.057 0.010 6.668) 7.336 2.242 ( -0.780 -0.530 11.102) 11.142 2.508 ( 1.148 -0.428 -5.719) 5.849 2.703 ( -3.382 -0.033 8.891) 9.512 2.760 ( 8.434 -0.232 2.147) 8.706 3.174 ( 0.850 -0.558 -9.486) 9.540 3.274 ( -5.685 -0.457 2.134) 6.090 3.422 ( -3.176 -0.296 -5.076) 5.995 3.501 ( -5.544 -0.058 -1.447) 5.730 3.543 ( -0.375 -0.541 9.544) 9.567 3.971 ( -0.726 -0.333 -0.179) 0.819 4.096 ( -6.844 -0.320 -3.944) 7.905 4.289 ( -4.268 0.038 -2.468) 4.931 4.463 ( -9.282 -1.990 7.288) 11.968 4.727 ( 3.104 -0.479 -4.625) 5.591 4.784 ( 1.661 0.212 6.846) 7.048 5.076 ( 2.005 0.039 4.859) 5.256 5.251 ( 5.023 1.461 2.157) 5.659 5.691 ( 9.945 0.526 -5.504) 11.379 ======================= Grid point 250 (96/196) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 2.376 13.709) 13.913 0.571 ( 0.000 6.552 3.935) 7.643 0.731 ( -0.000 -0.405 25.887) 25.891 1.408 ( 0.000 0.284 -13.481) 13.484 1.802 ( 0.000 0.341 -12.995) 12.999 2.092 ( -0.000 -0.087 8.165) 8.166 2.239 ( -0.000 -0.770 11.590) 11.616 2.529 ( -0.000 -0.670 -8.130) 8.157 2.664 ( -0.000 -0.001 9.864) 9.864 2.859 ( -0.000 -0.762 2.417) 2.534 3.190 ( -0.000 -1.007 -9.034) 9.090 3.215 ( -0.000 -0.561 2.061) 2.136 3.372 ( -0.000 -0.062 -5.879) 5.879 3.450 ( -0.000 -0.540 -1.407) 1.507 3.546 ( -0.000 -0.950 9.357) 9.405 3.973 ( -0.000 -0.391 0.121) 0.409 3.977 ( 0.000 0.211 3.613) 3.619 4.242 ( 0.000 0.297 -1.461) 1.491 4.402 ( -0.000 -1.160 2.414) 2.678 4.761 ( -0.000 -0.640 -6.244) 6.277 4.803 ( 0.000 0.126 8.445) 8.445 5.097 ( 0.000 0.029 5.537) 5.537 5.289 ( 0.000 2.349 2.508) 3.436 5.788 ( 0.000 0.602 -6.560) 6.588 ======================= Grid point 261 (97/196) ======================= q-point: (-0.54 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -0.683 -0.000 1.026) 1.232 0.653 ( -9.916 -0.000 12.870) 16.247 1.003 ( -22.662 -0.000 18.560) 29.292 1.426 ( -1.828 -0.000 -12.501) 12.634 1.904 ( -9.271 -0.000 -13.579) 16.442 2.120 ( -3.081 -0.000 6.609) 7.292 2.239 ( -0.788 -0.000 11.102) 11.130 2.506 ( 1.141 0.000 -5.755) 5.867 2.702 ( -3.444 -0.000 8.962) 9.601 2.758 ( 8.446 0.000 1.989) 8.677 3.170 ( 0.751 0.000 -9.536) 9.566 3.271 ( -5.741 -0.000 2.166) 6.136 3.420 ( -3.087 -0.000 -5.050) 5.919 3.500 ( -5.775 -0.000 -1.637) 6.002 3.540 ( -0.336 -0.000 9.755) 9.760 3.969 ( -0.719 -0.000 -0.130) 0.730 4.094 ( -6.901 -0.000 -3.584) 7.776 4.290 ( -4.186 -0.000 -2.448) 4.850 4.452 ( -8.476 -0.000 6.856) 10.902 4.724 ( 3.126 0.000 -4.641) 5.596 4.785 ( 1.613 0.000 6.743) 6.933 5.076 ( 1.997 0.000 4.828) 5.225 5.260 ( 5.136 0.000 2.176) 5.578 5.694 ( 9.892 0.000 -5.306) 11.225 ======================= Grid point 263 (98/196) ======================= q-point: (-0.46 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 0.834 13.200) 13.227 0.630 ( 0.000 3.225 1.448) 3.535 0.720 ( -0.000 -1.085 27.811) 27.832 1.411 ( 0.000 0.111 -13.271) 13.272 1.805 ( 0.000 0.123 -12.936) 12.937 2.091 ( -0.000 -0.025 8.042) 8.042 2.232 ( -0.000 -0.285 11.551) 11.555 2.523 ( -0.000 -0.243 -8.061) 8.065 2.664 ( -0.000 -0.000 9.860) 9.860 2.854 ( -0.000 -0.206 1.970) 1.981 3.181 ( -0.000 -0.382 -9.177) 9.185 3.211 ( -0.000 -0.202 2.061) 2.071 3.371 ( -0.000 -0.026 -5.853) 5.853 3.446 ( -0.000 -0.191 -1.434) 1.447 3.539 ( -0.000 -0.310 9.528) 9.533 3.970 ( -0.000 -0.155 0.124) 0.198 3.979 ( 0.000 0.076 3.624) 3.625 4.244 ( 0.000 0.106 -1.463) 1.467 4.393 ( -0.000 -0.321 1.666) 1.697 4.756 ( -0.000 -0.226 -6.255) 6.259 4.804 ( 0.000 0.057 8.103) 8.103 5.097 ( 0.000 0.013 5.474) 5.474 5.309 ( 0.000 0.852 2.560) 2.698 5.793 ( 0.000 0.185 -6.043) 6.045 ======================= Grid point 350 (99/196) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 0.000 15.739) 15.739 0.764 ( 0.000 0.000 20.345) 20.345 1.016 ( 0.000 0.000 -12.094) 12.094 1.322 ( 0.000 0.000 25.564) 25.564 1.483 ( 0.000 0.000 -17.861) 17.861 2.236 ( 0.000 0.000 -2.314) 2.314 2.338 ( 0.000 0.000 -6.314) 6.314 2.480 ( 0.000 0.000 6.230) 6.230 2.865 ( 0.000 0.000 11.084) 11.084 3.007 ( 0.000 0.000 -3.760) 3.760 3.123 ( 0.000 0.000 -6.115) 6.115 3.237 ( 0.000 0.000 -8.585) 8.585 3.305 ( 0.000 0.000 3.548) 3.548 3.443 ( 0.000 0.000 -3.147) 3.147 3.748 ( 0.000 0.000 7.346) 7.346 3.968 ( 0.000 0.000 -2.769) 2.769 4.040 ( 0.000 0.000 4.454) 4.454 4.182 ( 0.000 0.000 -2.804) 2.804 4.645 ( 0.000 0.000 -0.494) 0.494 4.715 ( 0.000 0.000 -4.134) 4.134 5.145 ( 0.000 0.000 1.689) 1.689 5.239 ( 0.000 0.000 6.577) 6.577 5.274 ( 0.000 0.000 -4.070) 4.070 5.407 ( 0.000 0.000 -2.057) 2.057 ======================= Grid point 351 (100/196) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 7.456 -1.028 13.865) 15.776 0.841 ( 7.530 -0.441 16.726) 18.349 1.098 ( 6.465 -0.035 -13.803) 15.242 1.441 ( 12.637 -0.288 25.305) 28.287 1.577 ( 8.472 -0.215 -18.129) 20.012 2.253 ( 1.728 0.003 0.328) 1.759 2.348 ( 1.531 0.071 -8.432) 8.570 2.468 ( -1.104 0.254 5.402) 5.519 2.867 ( -10.265 0.683 1.838) 10.451 2.897 ( 2.665 -0.023 9.875) 10.228 3.095 ( -1.853 0.455 -5.522) 5.842 3.305 ( 5.145 0.213 -8.853) 10.241 3.345 ( 3.999 -0.182 3.601) 5.385 3.482 ( 3.209 0.070 -2.780) 4.247 3.744 ( -0.109 0.159 7.870) 7.872 3.971 ( 0.570 0.050 -2.493) 2.558 4.048 ( -0.628 -0.120 0.715) 0.959 4.213 ( 2.005 -0.053 -5.084) 5.466 4.728 ( 1.757 0.548 -1.572) 2.420 4.745 ( 7.554 0.618 -1.404) 7.708 5.105 ( -4.214 -0.473 1.213) 4.411 5.201 ( -4.992 3.736 -2.092) 6.577 5.212 ( -2.848 0.299 6.146) 6.780 5.406 ( -0.907 -2.156 -5.222) 5.722 ======================= Grid point 352 (101/196) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 10.959 -0.898 11.525) 15.929 1.042 ( 12.573 -0.547 10.766) 16.561 1.222 ( 6.391 -0.019 -11.487) 13.145 1.744 ( 8.503 0.078 -15.781) 17.926 1.781 ( 19.254 -0.582 15.630) 24.806 2.296 ( 2.717 0.177 3.750) 4.635 2.427 ( 6.848 0.407 -10.040) 12.160 2.434 ( -2.022 0.393 1.989) 2.863 2.691 ( -6.658 0.309 7.599) 10.108 2.921 ( -1.027 0.073 1.307) 1.664 3.095 ( 2.735 0.450 2.025) 3.432 3.372 ( 1.522 0.215 -5.921) 6.117 3.452 ( 6.485 -0.762 3.692) 7.501 3.578 ( 6.843 -0.154 -2.885) 7.428 3.749 ( 0.742 0.167 8.134) 8.169 3.982 ( -0.944 0.159 -4.285) 4.391 4.008 ( -1.984 -0.151 -0.264) 2.007 4.211 ( -2.782 0.011 -9.122) 9.537 4.778 ( 3.118 1.041 2.826) 4.335 4.824 ( -0.246 -0.521 3.674) 3.719 4.998 ( -7.021 -0.859 -0.549) 7.094 5.057 ( -7.734 0.610 -2.248) 8.077 5.149 ( -3.229 0.348 6.572) 7.330 5.413 ( 2.393 3.092 -8.953) 9.769 ======================= Grid point 353 (102/196) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 12.008 0.372 9.792) 15.499 1.315 ( 15.116 -0.456 5.314) 16.030 1.348 ( 6.686 0.387 -9.784) 11.857 1.852 ( 3.553 -0.380 -16.138) 16.529 2.154 ( 17.165 0.435 12.326) 21.137 2.362 ( 4.299 0.163 -0.070) 4.303 2.369 ( -3.468 0.412 2.163) 4.108 2.595 ( 9.014 0.789 -6.428) 11.099 2.625 ( -0.102 -0.061 9.503) 9.504 2.880 ( -2.477 0.042 -4.678) 5.294 3.170 ( 4.600 -0.048 6.044) 7.595 3.380 ( -0.233 -0.619 -2.287) 2.381 3.595 ( 7.510 -0.781 4.308) 8.693 3.714 ( 6.017 -0.135 -3.349) 6.887 3.766 ( 0.796 0.029 6.367) 6.417 3.897 ( -5.304 -0.334 -3.682) 6.466 4.019 ( 1.192 0.331 -2.127) 2.461 4.119 ( -5.843 0.147 -9.277) 10.965 4.746 ( -8.913 -0.804 2.784) 9.372 4.758 ( -5.064 -0.393 8.524) 9.923 4.859 ( -7.520 -0.868 -3.102) 8.181 4.960 ( -1.695 -0.886 -2.517) 3.161 5.110 ( 0.783 1.635 8.691) 8.878 5.456 ( 3.954 4.956 -9.543) 11.457 ======================= Grid point 354 (103/196) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 11.763 1.940 7.707) 14.196 1.464 ( 5.494 1.143 -9.381) 10.931 1.619 ( 15.956 -0.267 1.606) 16.039 1.907 ( 2.454 -0.351 -10.061) 10.362 2.289 ( -2.220 0.400 4.432) 4.973 2.403 ( 6.493 0.743 9.701) 11.698 2.460 ( 5.417 0.002 -4.853) 7.273 2.685 ( 5.888 0.025 5.838) 8.292 2.705 ( 1.484 0.718 0.412) 1.699 2.844 ( -0.745 0.063 -9.798) 9.827 3.266 ( 4.960 -0.502 5.636) 7.524 3.391 ( 1.208 -1.260 0.135) 1.751 3.711 ( -3.419 -0.183 -0.854) 3.529 3.723 ( -0.613 -0.913 2.542) 2.770 3.777 ( 2.509 0.069 0.395) 2.541 3.882 ( 3.363 -0.609 -3.474) 4.874 4.029 ( -2.108 0.212 -4.181) 4.687 4.038 ( 0.781 0.130 -1.820) 1.984 4.539 ( -11.384 -1.437 3.940) 12.132 4.649 ( -6.047 -0.621 10.087) 11.777 4.735 ( -5.267 -0.266 -4.390) 6.862 4.924 ( -2.957 -0.304 -3.634) 4.695 5.167 ( 5.313 2.139 8.312) 10.094 5.491 ( 2.068 4.019 -7.996) 9.185 ======================= Grid point 355 (104/196) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 10.079 2.588 4.586) 11.372 1.534 ( 2.296 1.386 -7.447) 7.915 1.924 ( 15.355 -0.066 -1.443) 15.423 1.963 ( 3.355 -0.340 -2.703) 4.322 2.242 ( -2.628 0.510 7.776) 8.224 2.476 ( 2.713 -0.071 5.839) 6.439 2.548 ( 2.435 0.080 -8.579) 8.918 2.656 ( -4.441 0.339 3.527) 5.681 2.795 ( 4.465 0.460 -0.063) 4.489 2.834 ( -0.866 -0.062 -10.514) 10.550 3.352 ( 3.416 -0.305 4.372) 5.557 3.442 ( 2.972 -1.066 0.839) 3.267 3.587 ( -6.243 -0.084 -1.967) 6.546 3.675 ( -4.055 -0.934 -1.915) 4.581 3.866 ( 3.967 -0.610 1.540) 4.299 3.936 ( 1.264 -0.492 -2.387) 2.745 4.036 ( 2.136 0.027 0.103) 2.139 4.056 ( 1.078 -0.166 -0.723) 1.309 4.371 ( -5.744 -0.775 7.573) 9.537 4.540 ( -5.506 -0.214 10.962) 12.269 4.671 ( -1.275 -0.176 -5.375) 5.527 4.855 ( -4.065 0.330 -3.918) 5.655 5.264 ( 5.545 1.449 4.854) 7.510 5.485 ( -0.667 2.629 -5.705) 6.317 ======================= Grid point 356 (105/196) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 6.438 1.563 0.334) 6.633 1.532 ( -1.908 0.317 -4.109) 4.541 2.043 ( 4.555 -0.347 4.185) 6.195 2.139 ( -1.076 0.355 5.672) 5.784 2.237 ( 10.318 0.081 -1.228) 10.391 2.459 ( -9.993 0.046 -4.389) 10.914 2.540 ( 3.731 -0.574 2.126) 4.333 2.608 ( -2.044 0.649 -0.327) 2.170 2.826 ( 0.312 -0.426 -8.547) 8.564 2.843 ( 0.845 0.409 -6.257) 6.327 3.403 ( 2.262 0.002 3.320) 4.017 3.457 ( -3.153 -0.299 1.456) 3.486 3.539 ( 2.616 0.025 -1.482) 3.007 3.605 ( -3.767 -0.659 -2.877) 4.786 3.913 ( 0.740 -0.418 0.653) 1.072 3.946 ( 0.038 -0.204 -0.812) 0.839 4.068 ( 0.732 0.114 0.199) 0.767 4.081 ( 1.000 -0.203 -0.107) 1.026 4.347 ( 2.465 -0.516 11.076) 11.359 4.435 ( -5.304 0.362 11.750) 12.897 4.690 ( 2.799 -0.577 -5.460) 6.163 4.768 ( -4.439 0.690 -4.547) 6.392 5.358 ( 4.663 0.225 0.928) 4.760 5.437 ( -3.047 1.210 -2.720) 4.260 ======================= Grid point 364 (106/196) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 11.333 0.000 11.704) 16.292 1.039 ( 12.653 0.000 10.932) 16.721 1.222 ( 6.450 0.000 -11.732) 13.388 1.745 ( 7.541 0.000 -18.789) 20.246 1.777 ( 20.369 0.000 18.689) 27.644 2.297 ( 2.729 0.000 3.807) 4.684 2.429 ( 7.305 0.000 -10.738) 12.987 2.437 ( -2.427 -0.000 2.579) 3.541 2.693 ( -6.847 -0.000 7.635) 10.255 2.921 ( -1.003 -0.000 1.397) 1.720 3.097 ( 2.565 0.000 1.961) 3.229 3.374 ( 1.263 0.000 -6.098) 6.227 3.447 ( 6.555 0.000 3.986) 7.672 3.577 ( 6.827 0.000 -2.950) 7.438 3.750 ( 0.691 0.000 8.152) 8.182 3.983 ( -1.226 -0.000 -4.297) 4.468 4.007 ( -1.662 -0.000 -0.269) 1.684 4.211 ( -2.752 -0.000 -9.199) 9.602 4.785 ( 3.069 0.000 2.681) 4.075 4.820 ( -0.482 -0.000 4.001) 4.030 4.992 ( -6.991 -0.000 -0.651) 7.021 5.060 ( -9.049 -0.000 -2.774) 9.465 5.151 ( -3.015 -0.000 6.883) 7.515 5.433 ( 3.335 0.000 -9.671) 10.229 ======================= Grid point 365 (107/196) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 12.647 0.149 9.747) 15.968 1.311 ( 15.219 -0.175 6.289) 16.468 1.351 ( 6.922 0.148 -10.814) 12.840 1.849 ( 3.579 -0.131 -16.232) 16.622 2.158 ( 17.475 0.154 12.462) 21.464 2.364 ( 4.301 0.060 -0.060) 4.302 2.372 ( -3.656 0.156 2.159) 4.248 2.602 ( 9.115 0.295 -6.698) 11.315 2.624 ( -0.249 -0.038 9.770) 9.773 2.880 ( -2.531 0.019 -4.671) 5.313 3.170 ( 4.344 -0.024 5.989) 7.399 3.374 ( -0.526 -0.228 -2.168) 2.242 3.588 ( 7.593 -0.309 4.413) 8.788 3.713 ( 6.114 -0.051 -3.471) 7.030 3.766 ( 0.729 0.007 6.459) 6.500 3.894 ( -5.408 -0.121 -3.607) 6.502 4.022 ( 1.161 0.120 -2.249) 2.534 4.120 ( -5.803 0.052 -9.389) 11.038 4.739 ( -9.477 -0.319 2.386) 9.778 4.755 ( -5.340 -0.138 8.805) 10.299 4.852 ( -7.209 -0.290 -3.240) 7.909 4.953 ( -1.378 -0.296 -2.481) 2.854 5.124 ( 1.168 0.593 9.321) 9.413 5.497 ( 3.290 1.820 -10.376) 11.036 ======================= Grid point 366 (108/196) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 12.223 1.097 7.465) 14.365 1.474 ( 5.732 0.635 -9.135) 10.803 1.617 ( 16.089 -0.149 1.470) 16.157 1.904 ( 2.510 -0.190 -10.041) 10.351 2.293 ( -2.302 0.225 4.337) 4.915 2.410 ( 6.278 0.454 9.744) 11.600 2.460 ( 5.382 -0.023 -4.888) 7.271 2.685 ( 6.186 -0.003 5.944) 8.579 2.712 ( 1.078 0.391 0.523) 1.260 2.845 ( -0.611 0.058 -10.012) 10.031 3.261 ( 4.907 -0.317 5.637) 7.480 3.379 ( 1.166 -0.724 0.316) 1.408 3.708 ( 0.767 -0.336 3.485) 3.584 3.716 ( -4.785 -0.289 -1.662) 5.074 3.777 ( 2.275 0.020 0.543) 2.339 3.876 ( 3.469 -0.329 -3.632) 5.033 4.031 ( -2.273 0.122 -4.440) 4.989 4.039 ( 0.696 0.057 -1.859) 1.985 4.526 ( -11.088 -0.762 4.194) 11.879 4.643 ( -5.955 -0.369 9.705) 11.392 4.733 ( -5.004 -0.109 -4.106) 6.474 4.921 ( -2.630 -0.189 -3.735) 4.572 5.187 ( 5.012 1.205 8.832) 10.226 5.528 ( 1.096 2.271 -8.442) 8.811 ======================= Grid point 367 (109/196) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 9.852 1.801 4.263) 10.885 1.548 ( 2.030 0.977 -7.189) 7.534 1.924 ( 15.449 -0.040 -1.411) 15.513 1.960 ( 3.360 -0.228 -2.581) 4.243 2.247 ( -2.592 0.352 7.666) 8.100 2.475 ( 2.254 -0.064 5.744) 6.171 2.549 ( 2.491 0.043 -8.546) 8.902 2.659 ( -4.435 0.219 3.344) 5.559 2.800 ( 4.595 0.343 -0.064) 4.609 2.834 ( -1.192 -0.041 -10.330) 10.398 3.349 ( 3.633 -0.264 4.362) 5.683 3.431 ( 3.346 -0.750 0.986) 3.568 3.586 ( -6.207 -0.046 -1.911) 6.494 3.665 ( -4.033 -0.708 -1.455) 4.346 3.860 ( 3.844 -0.378 1.313) 4.080 3.931 ( 1.402 -0.332 -2.571) 2.947 4.036 ( 2.123 0.036 -0.045) 2.123 4.055 ( 0.972 -0.118 -0.657) 1.179 4.363 ( -5.372 -0.523 7.732) 9.429 4.538 ( -5.187 -0.193 10.613) 11.815 4.669 ( -1.412 -0.088 -5.083) 5.276 4.858 ( -3.815 0.182 -4.094) 5.599 5.279 ( 4.952 1.047 5.309) 7.335 5.511 ( -1.532 1.863 -5.903) 6.377 ======================= Grid point 368 (110/196) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 5.420 1.269 -0.035) 5.567 1.535 ( -2.906 0.192 -3.765) 4.760 2.040 ( 4.670 -0.209 4.263) 6.327 2.142 ( -0.951 0.218 5.514) 5.599 2.237 ( 9.959 0.079 -1.067) 10.016 2.460 ( -9.999 0.056 -4.249) 10.865 2.534 ( 3.625 -0.506 1.989) 4.166 2.615 ( -1.993 0.536 -0.429) 2.108 2.821 ( 0.313 -0.452 -8.884) 8.901 2.848 ( 0.801 0.471 -5.876) 5.949 3.403 ( 2.388 -0.014 3.274) 4.053 3.454 ( -2.815 -0.240 1.465) 3.182 3.539 ( 2.824 0.029 -1.527) 3.211 3.597 ( -3.417 -0.581 -2.545) 4.300 3.910 ( 1.278 -0.186 0.626) 1.435 3.943 ( 0.122 -0.273 -0.899) 0.947 4.069 ( 0.572 0.051 0.183) 0.602 4.079 ( 1.307 -0.069 0.001) 1.309 4.341 ( 2.460 -0.444 10.992) 11.273 4.438 ( -5.105 0.245 11.680) 12.749 4.684 ( 2.599 -0.468 -5.390) 6.002 4.775 ( -4.367 0.535 -4.653) 6.404 5.361 ( 3.881 0.206 1.251) 4.083 5.450 ( -3.875 1.010 -2.906) 4.948 ======================= Grid point 369 (111/196) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -7.570 -1.519 0.717) 7.754 1.528 ( 0.925 -0.368 -4.455) 4.564 2.048 ( -4.554 0.446 4.028) 6.096 2.134 ( 1.360 -0.451 5.923) 6.094 2.236 ( -10.726 -0.061 -1.409) 10.818 2.459 ( 9.986 -0.031 -4.535) 10.968 2.547 ( -3.875 0.513 2.250) 4.510 2.600 ( 2.105 -0.616 -0.196) 2.202 2.829 ( -0.305 -0.067 -6.898) 6.905 2.841 ( -0.929 0.120 -7.964) 8.019 3.403 ( -2.161 -0.017 3.367) 4.001 3.460 ( 3.514 0.292 1.435) 3.806 3.539 ( -2.366 -0.019 -1.452) 2.776 3.612 ( 4.117 0.580 -3.209) 5.252 3.919 ( -0.254 0.624 0.630) 0.922 3.947 ( 0.185 0.036 -0.670) 0.696 4.066 ( -0.810 -0.124 0.279) 0.866 4.084 ( -0.780 0.276 -0.259) 0.867 4.353 ( -2.475 0.469 11.158) 11.439 4.430 ( 5.515 -0.410 11.807) 13.038 4.697 ( -2.977 0.553 -5.523) 6.299 4.760 ( 4.481 -0.696 -4.436) 6.344 5.356 ( -5.483 -0.188 0.587) 5.518 5.423 ( 2.160 -1.131 -2.518) 3.505 ======================= Grid point 370 (112/196) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -10.341 -2.813 5.002) 11.826 1.517 ( -2.605 -1.482 -7.763) 8.322 1.925 ( -15.259 0.083 -1.477) 15.330 1.967 ( -3.352 0.386 -2.860) 4.423 2.235 ( 2.682 -0.561 7.924) 8.384 2.477 ( -3.235 0.052 5.944) 6.767 2.547 ( -2.382 -0.112 -8.608) 8.932 2.651 ( 4.418 -0.391 3.677) 5.761 2.790 ( -4.320 -0.464 -0.067) 4.346 2.835 ( 0.500 0.066 -10.683) 10.695 3.356 ( -3.181 0.251 4.399) 5.435 3.455 ( -2.542 1.135 0.627) 2.853 3.588 ( 6.288 0.109 -2.048) 6.614 3.686 ( 4.052 0.900 -2.471) 4.830 3.874 ( -4.146 0.749 1.853) 4.603 3.942 ( -1.052 0.560 -2.122) 2.434 4.036 ( -2.133 0.010 0.281) 2.151 4.058 ( -1.281 0.168 -0.801) 1.520 4.380 ( 6.293 0.889 7.347) 9.714 4.542 ( 5.881 0.128 11.308) 12.746 4.673 ( 1.146 0.270 -5.657) 5.779 4.850 ( 4.338 -0.463 -3.667) 5.699 5.246 ( -6.254 -1.493 4.271) 7.719 5.452 ( -0.385 -2.798 -5.474) 6.160 ======================= Grid point 371 (113/196) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -11.063 -2.332 8.050) 13.879 1.449 ( -5.181 -1.408 -9.676) 11.066 1.622 ( -15.762 0.323 1.758) 15.863 1.912 ( -2.369 0.450 -10.095) 10.379 2.284 ( 2.112 -0.485 4.572) 5.059 2.394 ( -6.760 -0.825 9.727) 11.874 2.460 ( -5.462 -0.049 -4.888) 7.330 2.684 ( -5.349 -0.114 5.453) 7.639 2.695 ( -2.177 -0.870 0.484) 2.394 2.844 ( 0.917 -0.021 -9.504) 9.548 3.272 ( -5.027 0.514 5.631) 7.566 3.407 ( -1.281 1.493 -0.147) 1.972 3.713 ( 5.003 0.110 -2.612) 5.645 3.735 ( -0.884 1.188 4.087) 4.347 3.776 ( -2.965 -0.143 0.259) 2.980 3.890 ( -3.246 0.781 -3.249) 4.659 4.026 ( 1.888 -0.242 -3.831) 4.278 4.036 ( -0.917 -0.217 -1.733) 1.972 4.559 ( 11.794 1.918 3.575) 12.472 4.656 ( 6.166 0.634 10.487) 12.182 4.739 ( 5.721 0.507 -4.655) 7.393 4.927 ( 3.488 0.277 -3.395) 4.876 5.139 ( -5.781 -2.562 7.485) 9.798 5.438 ( -3.435 -4.870 -7.402) 9.503 ======================= Grid point 372 (114/196) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -10.830 -0.410 9.821) 14.625 1.321 ( -14.577 0.447 1.446) 14.656 1.343 ( -6.604 -0.363 -5.800) 8.797 1.858 ( -3.490 0.582 -15.993) 16.379 2.148 ( -16.672 -0.645 12.108) 20.615 2.360 ( -3.560 -0.257 0.232) 3.577 2.363 ( 2.433 -0.497 1.864) 3.105 2.584 ( -8.939 -1.097 -6.288) 10.984 2.625 ( -0.040 0.029 9.376) 9.376 2.879 ( 2.374 -0.034 -4.687) 5.254 3.171 ( -5.023 0.031 6.115) 7.914 3.388 ( -0.260 0.851 -2.518) 2.671 3.605 ( -7.461 0.894 4.138) 8.578 3.716 ( -5.834 0.193 -3.142) 6.629 3.765 ( -0.937 -0.076 6.235) 6.306 3.901 ( 5.107 0.463 -3.811) 6.388 4.014 ( -1.221 -0.457 -1.902) 2.306 4.117 ( 5.919 -0.212 -9.080) 10.841 4.756 ( 7.731 0.773 4.892) 9.181 4.764 ( 4.561 0.728 6.612) 8.065 4.872 ( 8.028 1.411 -2.769) 8.609 4.974 ( 2.277 1.466 -2.595) 3.750 5.087 ( 0.015 -2.306 7.536) 7.880 5.386 ( -4.865 -6.826 -8.187) 11.717 ======================= Grid point 373 (115/196) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -9.901 1.742 10.997) 14.900 1.051 ( -12.353 0.954 10.251) 16.081 1.222 ( -6.206 0.096 -10.745) 12.409 1.744 ( -9.802 0.175 -11.483) 15.098 1.789 ( -17.550 0.678 11.197) 20.829 2.294 ( -2.702 -0.302 3.578) 4.494 2.420 ( -5.868 -0.707 -8.538) 10.384 2.428 ( 1.172 -0.707 0.807) 1.589 2.686 ( 6.201 -0.473 7.486) 9.732 2.920 ( 1.081 -0.142 1.055) 1.517 3.087 ( -3.183 -0.758 2.207) 3.947 3.370 ( -2.023 -0.185 -5.745) 6.093 3.462 ( -6.538 0.877 3.220) 7.340 3.580 ( -6.897 0.261 -2.742) 7.427 3.746 ( -0.875 -0.320 8.110) 8.163 3.979 ( 0.391 -0.334 -4.174) 4.206 4.011 ( 2.640 0.324 -0.324) 2.680 4.211 ( 2.868 -0.014 -8.917) 9.367 4.763 ( -3.494 -1.465 2.932) 4.791 4.830 ( -0.206 0.517 3.011) 3.062 5.007 ( 5.989 0.220 -0.220) 5.997 5.045 ( 4.481 -1.151 -0.569) 4.661 5.145 ( 3.989 -0.324 5.731) 6.990 5.371 ( 1.126 -3.543 -7.527) 8.395 ======================= Grid point 374 (116/196) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -6.881 2.957 12.789) 14.821 0.851 ( -7.333 1.205 16.352) 17.962 1.099 ( -6.487 0.172 -13.333) 14.829 1.448 ( -12.345 0.750 24.770) 27.686 1.582 ( -8.531 0.577 -17.825) 19.769 2.253 ( -1.587 -0.065 0.076) 1.590 2.347 ( -1.421 -0.216 -8.077) 8.204 2.462 ( 1.068 -0.709 5.482) 5.630 2.853 ( 9.445 -1.622 2.149) 9.822 2.898 ( -2.580 0.016 9.846) 10.179 3.085 ( 1.707 -1.233 -5.743) 6.116 3.301 ( -4.870 -0.394 -8.370) 9.691 3.348 ( -4.609 0.188 2.997) 5.501 3.480 ( -3.514 -0.225 -2.739) 4.461 3.740 ( 0.060 -0.435 8.013) 8.025 3.969 ( -0.470 -0.168 -2.545) 2.594 4.051 ( 0.571 0.326 0.816) 1.048 4.214 ( -1.915 0.149 -4.983) 5.341 4.716 ( -1.680 -1.335 -1.753) 2.771 4.729 ( -8.860 -2.225 -1.748) 9.301 5.106 ( 3.566 -2.599 3.163) 5.429 5.136 ( 3.026 -3.820 2.111) 5.311 5.216 ( 3.087 0.793 6.154) 6.931 5.442 ( 4.401 3.384 -7.626) 9.433 ======================= Grid point 375 (117/196) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 0.000 2.578 14.866) 15.088 0.770 ( 0.000 1.067 20.135) 20.163 1.016 ( 0.000 0.054 -11.995) 11.995 1.327 ( 0.000 0.787 25.417) 25.429 1.486 ( 0.000 0.373 -17.802) 17.806 2.237 ( 0.000 0.144 -2.619) 2.623 2.338 ( -0.000 -0.030 -5.973) 5.973 2.477 ( -0.000 -0.535 6.329) 6.351 2.865 ( -0.000 -0.001 11.084) 11.084 2.993 ( -0.000 -2.307 -3.108) 3.871 3.117 ( -0.000 -0.979 -6.271) 6.347 3.237 ( -0.000 -0.008 -8.576) 8.576 3.302 ( -0.000 -0.401 3.539) 3.562 3.441 ( -0.000 -0.419 -3.148) 3.176 3.746 ( -0.000 -0.311 7.436) 7.443 3.968 ( -0.000 -0.044 -2.765) 2.766 4.041 ( 0.000 0.178 4.463) 4.466 4.184 ( 0.000 0.220 -2.808) 2.816 4.631 ( -0.000 -2.346 -0.128) 2.349 4.710 ( -0.000 -0.891 -4.252) 4.344 5.150 ( 0.000 0.345 2.065) 2.094 5.204 ( -0.000 -8.309 2.231) 8.603 5.242 ( 0.000 0.702 6.562) 6.599 5.459 ( 0.000 6.084 -6.791) 9.117 ======================= Grid point 378 (118/196) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 12.382 0.000 7.379) 14.414 1.478 ( 5.822 0.000 -9.036) 10.749 1.616 ( 16.135 0.000 1.414) 16.197 1.903 ( 2.529 0.000 -10.034) 10.348 2.294 ( -2.332 -0.000 4.303) 4.894 2.413 ( 6.192 0.000 9.788) 11.582 2.460 ( 5.370 0.000 -4.929) 7.289 2.685 ( 6.291 0.000 5.972) 8.674 2.714 ( 0.933 0.000 0.571) 1.094 2.845 ( -0.560 -0.000 -10.089) 10.104 3.259 ( 4.887 0.000 5.637) 7.460 3.375 ( 1.153 0.000 0.378) 1.214 3.706 ( 2.067 0.000 4.859) 5.280 3.714 ( -6.084 -0.000 -2.987) 6.778 3.777 ( 2.203 0.000 0.602) 2.283 3.874 ( 3.511 0.000 -3.688) 5.092 4.031 ( -2.337 -0.000 -4.538) 5.104 4.039 ( 0.671 0.000 -1.865) 1.982 4.522 ( -10.980 -0.000 4.285) 11.786 4.640 ( -5.921 -0.000 9.559) 11.245 4.732 ( -4.919 -0.000 -3.996) 6.338 4.920 ( -2.521 -0.000 -3.763) 4.529 5.194 ( 4.908 0.000 9.011) 10.261 5.541 ( 0.743 0.000 -8.608) 8.640 ======================= Grid point 379 (119/196) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.719 0.643 4.089) 10.564 1.556 ( 1.876 0.352 -7.045) 7.299 1.923 ( 15.508 -0.013 -1.391) 15.570 1.958 ( 3.363 -0.080 -2.513) 4.199 2.250 ( -2.574 0.125 7.608) 8.033 2.474 ( 1.984 -0.026 5.686) 6.022 2.549 ( 2.528 0.013 -8.525) 8.892 2.661 ( -4.421 0.074 3.217) 5.468 2.803 ( 4.672 0.127 -0.065) 4.674 2.833 ( -1.384 -0.014 -10.206) 10.300 3.347 ( 3.762 -0.107 4.363) 5.762 3.425 ( 3.566 -0.269 1.057) 3.729 3.586 ( -6.186 -0.013 -1.886) 6.467 3.659 ( -4.013 -0.264 -1.194) 4.195 3.857 ( 3.786 -0.126 1.199) 3.973 3.928 ( 1.465 -0.117 -2.662) 3.041 4.036 ( 2.110 0.016 -0.130) 2.114 4.054 ( 0.933 -0.042 -0.618) 1.120 4.359 ( -5.189 -0.184 7.812) 9.380 4.536 ( -5.010 -0.077 10.398) 11.543 4.668 ( -1.495 -0.025 -4.902) 5.125 4.859 ( -3.668 0.056 -4.182) 5.563 5.287 ( 4.618 0.381 5.557) 7.235 5.526 ( -2.019 0.672 -6.017) 6.382 ======================= Grid point 380 (120/196) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 4.763 0.713 -0.309) 4.826 1.537 ( -3.693 0.073 -3.504) 5.091 2.038 ( 4.801 -0.090 4.290) 6.439 2.144 ( -0.936 0.097 5.439) 5.520 2.238 ( 9.725 0.048 -0.962) 9.773 2.460 ( -10.016 0.042 -4.147) 10.841 2.529 ( 3.578 -0.301 1.883) 4.055 2.620 ( -1.958 0.302 -0.493) 2.042 2.816 ( 0.301 -0.266 -8.899) 8.908 2.853 ( 0.796 0.291 -5.834) 5.895 3.403 ( 2.501 -0.016 3.242) 4.094 3.451 ( -2.579 -0.133 1.466) 2.969 3.540 ( 2.955 0.022 -1.575) 3.349 3.592 ( -3.159 -0.342 -2.294) 3.919 3.908 ( 1.734 -0.037 0.585) 1.831 3.940 ( 0.082 -0.201 -0.937) 0.961 4.069 ( 0.441 0.004 0.233) 0.499 4.079 ( 1.550 0.008 0.028) 1.550 4.337 ( 2.457 -0.258 10.928) 11.203 4.441 ( -4.960 0.117 11.618) 12.633 4.679 ( 2.437 -0.259 -5.332) 5.868 4.780 ( -4.300 0.288 -4.729) 6.398 5.363 ( 3.322 0.124 1.480) 3.639 5.459 ( -4.458 0.573 -3.036) 5.424 ======================= Grid point 381 (121/196) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -8.529 -1.109 1.031) 8.662 1.524 ( 0.148 -0.298 -4.731) 4.743 2.053 ( -4.713 0.414 3.801) 6.068 2.129 ( 1.767 -0.418 6.235) 6.494 2.235 ( -11.075 -0.032 -1.563) 11.184 2.458 ( 9.974 -0.018 -4.658) 11.007 2.552 ( -4.015 0.352 2.328) 4.655 2.594 ( 2.166 -0.442 -0.059) 2.211 2.826 ( -0.375 -0.250 -5.844) 5.862 2.844 ( -0.950 0.308 -9.074) 9.128 3.403 ( -2.097 -0.019 3.402) 3.997 3.463 ( 3.810 0.214 1.405) 4.066 3.538 ( -2.139 -0.012 -1.435) 2.576 3.618 ( 4.388 0.385 -3.467) 5.606 3.927 ( 0.046 0.699 0.552) 0.892 3.946 ( 0.518 -0.184 -0.498) 0.742 4.065 ( -0.829 -0.087 0.367) 0.911 4.087 ( -0.654 0.235 -0.386) 0.795 4.357 ( -2.497 0.324 11.219) 11.498 4.426 ( 5.699 -0.335 11.845) 13.149 4.702 ( -3.097 0.397 -5.570) 6.386 4.753 ( 4.486 -0.521 -4.346) 6.268 5.354 ( -6.155 -0.119 0.305) 6.163 5.411 ( 1.419 -0.797 -2.347) 2.856 ======================= Grid point 382 (122/196) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -10.577 -2.387 5.423) 12.123 1.501 ( -2.887 -1.239 -8.066) 8.656 1.926 ( -15.184 0.079 -1.505) 15.259 1.972 ( -3.351 0.341 -3.019) 4.523 2.229 ( 2.744 -0.482 8.082) 8.549 2.477 ( -3.698 0.026 6.032) 7.075 2.546 ( -2.342 -0.114 -8.621) 8.934 2.647 ( 4.367 -0.342 3.753) 5.768 2.785 ( -4.203 -0.369 -0.077) 4.220 2.836 ( 0.185 0.051 -10.795) 10.797 3.358 ( -2.984 0.161 4.436) 5.349 3.468 ( -2.152 0.938 0.392) 2.380 3.589 ( 6.329 0.104 -2.132) 6.679 3.695 ( 4.009 0.668 -2.994) 5.048 3.883 ( -4.338 0.700 2.186) 4.908 3.948 ( -0.808 0.498 -1.828) 2.060 4.036 ( -2.097 0.048 0.448) 2.145 4.060 ( -1.566 0.124 -0.877) 1.799 4.391 ( 6.933 0.809 7.087) 9.947 4.543 ( 6.188 0.005 11.538) 13.092 4.677 ( 1.090 0.307 -5.826) 5.935 4.845 ( 4.545 -0.492 -3.389) 5.690 5.230 ( -6.902 -1.193 3.686) 7.915 5.422 ( -1.391 -2.328 -5.263) 5.920 ======================= Grid point 383 (123/196) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -10.241 -2.187 8.413) 13.433 1.432 ( -4.872 -1.355 -9.939) 11.152 1.626 ( -15.553 0.305 1.887) 15.670 1.918 ( -2.269 0.451 -10.137) 10.398 2.279 ( 2.005 -0.459 4.725) 5.153 2.384 ( -7.009 -0.730 9.788) 12.061 2.459 ( -5.499 -0.078 -4.951) 7.400 2.681 ( -3.598 -0.503 2.588) 4.460 2.687 ( -4.094 -0.505 3.018) 5.111 2.844 ( 1.080 0.024 -9.208) 9.271 3.277 ( -5.087 0.406 5.621) 7.592 3.424 ( -1.364 1.393 -0.487) 2.009 3.714 ( 5.429 0.094 -3.241) 6.324 3.749 ( -0.923 1.085 4.346) 4.573 3.774 ( -3.821 -0.187 0.330) 3.840 3.900 ( -3.170 0.786 -3.007) 4.439 4.023 ( 1.666 -0.201 -3.473) 3.857 4.033 ( -1.070 -0.287 -1.613) 1.957 4.582 ( 12.232 2.080 3.167) 12.806 4.662 ( 6.275 0.354 10.538) 12.270 4.747 ( 6.341 0.772 -4.549) 7.842 4.930 ( 4.112 0.071 -2.922) 5.045 5.110 ( -6.298 -2.319 6.381) 9.260 5.381 ( -4.930 -4.655 -6.814) 9.613 ======================= Grid point 384 (124/196) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -9.321 -0.261 9.751) 13.492 1.323 ( -11.517 -0.209 -8.477) 14.302 1.342 ( -8.879 0.277 4.301) 9.870 1.865 ( -3.380 0.680 -15.854) 16.224 2.140 ( -16.181 -0.745 11.892) 20.095 2.356 ( 1.522 -0.474 2.142) 2.671 2.359 ( -2.952 -0.260 -0.027) 2.963 2.571 ( -8.856 -1.177 -6.218) 10.885 2.625 ( -0.185 -0.017 9.327) 9.329 2.879 ( 2.243 -0.005 -4.691) 5.200 3.171 ( -5.486 -0.001 6.160) 8.248 3.399 ( -0.821 0.897 -2.841) 3.090 3.614 ( -7.559 0.641 3.969) 8.561 3.719 ( -5.598 0.252 -2.938) 6.327 3.764 ( -1.143 -0.148 6.165) 6.272 3.907 ( 4.844 0.478 -3.959) 6.275 4.009 ( -1.216 -0.468 -1.614) 2.074 4.114 ( 6.019 -0.230 -8.847) 10.703 4.762 ( 6.383 0.429 7.649) 9.971 4.774 ( 3.570 0.908 4.117) 5.525 4.891 ( 8.553 1.829 -2.208) 9.021 4.994 ( 2.949 2.012 -2.745) 4.503 5.058 ( 1.172 -2.523 6.040) 6.650 5.303 ( -5.474 -7.236 -6.728) 11.296 ======================= Grid point 385 (125/196) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -8.357 2.381 10.157) 13.367 1.063 ( -12.042 1.114 9.381) 15.305 1.224 ( -5.894 0.232 -9.522) 11.201 1.748 ( -10.643 0.522 -8.390) 13.562 1.795 ( -16.190 0.413 7.943) 18.038 2.290 ( -2.721 -0.342 3.291) 4.284 2.411 ( -5.059 -0.833 -7.263) 8.890 2.418 ( 0.510 -0.873 0.039) 1.011 2.681 ( 5.697 -0.477 7.303) 9.274 2.918 ( 1.124 -0.188 0.702) 1.338 3.078 ( -3.760 -0.845 2.469) 4.577 3.368 ( -2.506 -0.061 -5.817) 6.334 3.470 ( -6.867 0.444 2.961) 7.491 3.583 ( -7.013 0.300 -2.640) 7.499 3.742 ( -1.032 -0.423 8.141) 8.217 3.975 ( -0.031 -0.435 -3.966) 3.990 4.015 ( 3.186 0.423 -0.448) 3.245 4.211 ( 2.994 -0.007 -8.650) 9.153 4.745 ( -4.016 -1.558 2.908) 5.197 4.835 ( -1.169 0.287 1.970) 2.309 4.984 ( -1.027 -3.979 2.184) 4.654 5.046 ( 5.572 1.037 0.268) 5.674 5.143 ( 5.375 0.042 4.760) 7.180 5.340 ( 6.623 -1.529 -6.513) 9.414 ======================= Grid point 386 (126/196) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -5.865 4.435 11.005) 13.235 0.868 ( -6.993 1.654 15.663) 17.233 1.103 ( -6.504 0.423 -12.433) 14.038 1.458 ( -11.917 0.919 23.974) 26.788 1.590 ( -8.591 0.771 -17.388) 19.410 2.251 ( -1.417 -0.220 -0.363) 1.479 2.343 ( -1.248 -0.347 -7.458) 7.570 2.452 ( 0.994 -1.015 5.611) 5.788 2.832 ( 8.385 -1.789 2.373) 8.896 2.898 ( -2.574 -0.023 9.895) 10.224 3.068 ( 1.437 -1.666 -6.064) 6.450 3.297 ( -4.646 -0.348 -8.171) 9.406 3.348 ( -5.300 -0.190 2.703) 5.953 3.476 ( -4.027 -0.382 -2.704) 4.865 3.734 ( -0.032 -0.603 8.250) 8.272 3.967 ( -0.352 -0.310 -2.623) 2.665 4.056 ( 0.473 0.441 0.988) 1.181 4.217 ( -1.763 0.216 -4.821) 5.138 4.692 ( -10.741 -4.025 -1.194) 11.532 4.699 ( -1.492 -1.625 -2.135) 3.070 5.039 ( 2.283 -5.785 9.000) 10.940 5.134 ( 3.510 0.597 1.357) 3.810 5.232 ( 3.917 1.997 5.573) 7.099 5.480 ( 6.653 3.227 -8.548) 11.303 ======================= Grid point 387 (127/196) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 4.728 12.691) 13.543 0.788 ( 0.000 1.860 19.575) 19.663 1.018 ( 0.000 0.216 -11.642) 11.644 1.339 ( 0.000 1.245 24.995) 25.026 1.492 ( 0.000 0.661 -17.640) 17.652 2.239 ( 0.000 0.062 -3.317) 3.318 2.337 ( -0.000 -0.120 -5.138) 5.139 2.468 ( -0.000 -0.971 6.566) 6.637 2.865 ( -0.000 -0.003 11.085) 11.085 2.958 ( -0.000 -3.318 -1.768) 3.760 3.101 ( -0.000 -1.715 -6.638) 6.856 3.237 ( -0.000 -0.016 -8.553) 8.553 3.296 ( -0.000 -0.710 3.515) 3.585 3.434 ( -0.000 -0.736 -3.152) 3.237 3.741 ( -0.000 -0.608 7.718) 7.742 3.967 ( -0.000 -0.185 -2.768) 2.774 4.044 ( 0.000 0.313 4.487) 4.498 4.187 ( 0.000 0.384 -2.818) 2.844 4.593 ( -0.000 -4.086 1.160) 4.248 4.696 ( -0.000 -1.366 -4.544) 4.745 5.101 ( -0.000 -6.922 8.494) 10.957 5.166 ( 0.000 0.390 1.790) 1.832 5.258 ( 0.000 2.089 6.090) 6.439 5.524 ( 0.000 4.956 -9.434) 10.656 ======================= Grid point 392 (128/196) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 4.551 0.000 -0.412) 4.569 1.537 ( -4.005 -0.000 -3.405) 5.256 2.038 ( 4.858 0.000 4.294) 6.484 2.145 ( -0.945 -0.000 5.419) 5.501 2.239 ( 9.646 0.000 -0.927) 9.690 2.461 ( -10.028 -0.000 -4.109) 10.837 2.527 ( 3.570 0.000 1.844) 4.018 2.621 ( -1.946 -0.000 -0.516) 2.013 2.815 ( 0.297 0.000 -8.888) 8.893 2.855 ( 0.797 0.000 -5.837) 5.891 3.403 ( 2.547 0.000 3.231) 4.114 3.451 ( -2.494 -0.000 1.466) 2.893 3.540 ( 2.999 0.000 -1.598) 3.398 3.590 ( -3.065 -0.000 -2.199) 3.772 3.908 ( 1.927 0.000 0.568) 2.009 3.938 ( 0.035 0.000 -0.946) 0.947 4.069 ( 0.403 0.000 0.265) 0.483 4.079 ( 1.629 0.000 0.027) 1.629 4.335 ( 2.455 0.000 10.904) 11.177 4.441 ( -4.907 -0.000 11.592) 12.588 4.678 ( 2.375 0.000 -5.308) 5.815 4.782 ( -4.273 -0.000 -4.756) 6.394 5.364 ( 3.120 0.000 1.563) 3.490 5.463 ( -4.668 -0.000 -3.082) 5.594 ======================= Grid point 393 (129/196) ======================= q-point: ( 0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -9.075 -0.407 1.208) 9.164 1.522 ( -0.279 -0.115 -4.884) 4.894 2.057 ( -4.921 0.178 3.600) 6.100 2.125 ( 2.117 -0.179 6.484) 6.823 2.235 ( -11.273 -0.009 -1.650) 11.393 2.458 ( 9.962 -0.006 -4.728) 11.027 2.555 ( -4.106 0.126 2.358) 4.737 2.590 ( 2.211 -0.161 0.034) 2.217 2.824 ( -0.397 -0.102 -5.645) 5.659 2.847 ( -0.990 0.126 -9.308) 9.361 3.403 ( -2.068 -0.008 3.421) 3.997 3.465 ( 3.975 0.079 1.383) 4.210 3.538 ( -2.003 -0.004 -1.427) 2.460 3.621 ( 4.534 0.134 -3.606) 5.795 3.935 ( -0.128 0.524 0.552) 0.772 3.943 ( 1.070 -0.329 -0.449) 1.206 4.064 ( -0.831 -0.030 0.423) 0.933 4.089 ( -0.597 0.092 -0.453) 0.755 4.360 ( -2.521 0.116 11.250) 11.530 4.423 ( 5.812 -0.130 11.865) 13.212 4.706 ( -3.153 0.144 -5.596) 6.425 4.748 ( 4.475 -0.194 -4.296) 6.206 5.353 ( -6.530 -0.040 0.146) 6.532 5.405 ( 0.997 -0.287 -2.249) 2.477 ======================= Grid point 394 (130/196) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -10.739 -1.372 5.739) 12.253 1.489 ( -3.082 -0.704 -8.284) 8.867 1.927 ( -15.140 0.048 -1.522) 15.217 1.975 ( -3.354 0.202 -3.140) 4.599 2.225 ( 2.797 -0.279 8.207) 8.675 2.477 ( -4.012 0.008 6.088) 7.291 2.545 ( -2.318 -0.074 -8.619) 8.926 2.644 ( 4.315 -0.199 3.771) 5.734 2.782 ( -4.133 -0.203 -0.088) 4.139 2.836 ( -0.021 0.027 -10.850) 10.850 3.359 ( -2.860 0.075 4.466) 5.304 3.476 ( -1.881 0.527 0.206) 1.964 3.590 ( 6.357 0.064 -2.193) 6.725 3.701 ( 3.952 0.344 -3.359) 5.198 3.890 ( -4.482 0.427 2.440) 5.121 3.953 ( -0.614 0.295 -1.591) 1.730 4.037 ( -2.037 0.049 0.572) 2.116 4.061 ( -1.843 0.059 -0.938) 2.068 4.398 ( 7.480 0.496 6.864) 10.164 4.543 ( 6.349 -0.049 11.639) 13.258 4.680 ( 1.113 0.214 -5.877) 5.986 4.840 ( 4.645 -0.330 -3.164) 5.630 5.219 ( -7.341 -0.652 3.248) 8.054 5.400 ( -2.116 -1.320 -5.115) 5.691 ======================= Grid point 395 (131/196) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -9.491 -1.545 8.710) 12.974 1.418 ( -4.633 -0.979 -10.126) 11.179 1.629 ( -15.379 0.217 1.977) 15.507 1.922 ( -2.179 0.336 -10.178) 10.414 2.274 ( 1.923 -0.327 4.857) 5.234 2.377 ( -7.199 -0.499 9.842) 12.204 2.458 ( -5.521 -0.070 -5.001) 7.449 2.673 ( -2.718 -0.611 -0.081) 2.787 2.683 ( -5.114 -0.147 5.419) 7.453 2.844 ( 1.203 0.037 -8.980) 9.060 3.281 ( -5.126 0.247 5.608) 7.602 3.438 ( -1.427 0.989 -0.808) 1.915 3.715 ( 5.594 0.072 -3.575) 6.640 3.759 ( 0.241 0.657 3.656) 3.722 3.772 ( -5.605 -0.088 1.173) 5.727 3.908 ( -3.154 0.590 -2.800) 4.259 4.022 ( 1.540 -0.101 -3.220) 3.571 4.029 ( -1.246 -0.285 -1.466) 1.944 4.605 ( 12.702 1.790 2.723) 13.113 4.664 ( 6.275 -0.062 10.235) 12.006 4.756 ( 7.007 0.808 -4.007) 8.112 4.929 ( 4.533 -0.190 -2.207) 5.046 5.087 ( -6.599 -1.487 5.131) 8.490 5.333 ( -6.280 -3.388 -6.357) 9.556 ======================= Grid point 396 (132/196) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -7.799 -0.058 9.560) 12.338 1.318 ( -8.593 -0.508 -12.652) 15.303 1.347 ( -11.029 0.545 8.687) 14.051 1.873 ( -3.234 0.620 -15.767) 16.107 2.131 ( -15.834 -0.684 11.752) 19.731 2.350 ( 2.756 -0.400 2.679) 3.864 2.357 ( -4.417 -0.160 -0.529) 4.452 2.558 ( -8.766 -0.996 -6.157) 10.759 2.625 ( -0.319 -0.048 9.290) 9.295 2.879 ( 2.117 0.020 -4.687) 5.143 3.171 ( -5.877 -0.018 6.159) 8.513 3.408 ( -1.321 0.761 -3.208) 3.552 3.619 ( -7.792 0.249 3.872) 8.705 3.722 ( -5.387 0.299 -2.883) 6.117 3.762 ( -1.358 -0.210 6.281) 6.430 3.912 ( 4.575 0.384 -4.096) 6.153 4.004 ( -1.170 -0.371 -1.328) 1.808 4.112 ( 6.123 -0.195 -8.634) 10.586 4.766 ( 5.779 0.247 8.389) 10.190 4.783 ( 1.699 0.646 3.704) 4.126 4.914 ( 9.009 2.023 -1.440) 9.345 5.020 ( 3.985 2.133 -2.915) 5.379 5.030 ( 1.835 -1.979 4.324) 5.097 5.222 ( -5.477 -6.516 -5.470) 10.118 ======================= Grid point 397 (133/196) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -6.666 2.547 9.122) 11.582 1.076 ( -11.701 0.995 8.255) 14.355 1.228 ( -5.505 0.347 -7.973) 9.696 1.756 ( -11.294 0.786 -5.884) 12.759 1.798 ( -15.064 -0.028 5.319) 15.976 2.286 ( -2.789 -0.299 2.917) 4.046 2.401 ( -4.844 -0.764 -6.863) 8.435 2.408 ( 0.411 -0.845 0.253) 0.973 2.676 ( 5.306 -0.385 7.088) 8.862 2.915 ( 1.124 -0.190 0.338) 1.189 3.069 ( -4.310 -0.728 2.730) 5.153 3.368 ( -2.918 0.043 -6.092) 6.755 3.472 ( -7.314 -0.108 3.011) 7.910 3.587 ( -7.211 0.263 -2.661) 7.691 3.737 ( -1.153 -0.429 8.250) 8.341 3.969 ( -0.278 -0.419 -3.753) 3.786 4.020 ( 3.524 0.397 -0.557) 3.590 4.211 ( 3.134 0.003 -8.393) 8.959 4.728 ( -4.445 -1.386 2.802) 5.434 4.836 ( -3.760 -0.225 0.056) 3.767 4.932 ( -3.900 -4.372 6.085) 8.447 5.058 ( 5.287 0.842 0.359) 5.365 5.146 ( 7.395 0.610 3.973) 8.417 5.334 ( 10.859 0.235 -5.981) 12.399 ======================= Grid point 398 (134/196) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -4.657 5.052 9.008) 11.329 0.888 ( -6.594 1.693 14.785) 16.277 1.109 ( -6.506 0.671 -11.201) 12.971 1.468 ( -11.536 0.763 23.283) 25.996 1.599 ( -8.597 0.767 -17.047) 19.108 2.248 ( -1.333 -0.374 -0.934) 1.671 2.339 ( -1.072 -0.410 -6.701) 6.798 2.439 ( 0.887 -1.103 5.755) 5.926 2.813 ( 7.455 -1.422 2.381) 7.954 2.897 ( -2.568 -0.060 9.959) 10.285 3.048 ( 1.091 -1.680 -6.355) 6.664 3.293 ( -4.524 -0.262 -8.212) 9.380 3.343 ( -5.782 -0.560 2.772) 6.436 3.471 ( -4.590 -0.474 -2.712) 5.353 3.727 ( -0.159 -0.632 8.503) 8.528 3.962 ( -0.297 -0.427 -2.695) 2.745 4.061 ( 0.362 0.441 1.187) 1.317 4.219 ( -1.589 0.236 -4.653) 4.922 4.640 ( -11.574 -4.585 0.643) 12.465 4.680 ( -1.295 -1.505 -2.499) 3.191 4.987 ( 2.721 -3.141 10.401) 11.200 5.138 ( 3.089 0.075 1.297) 3.351 5.261 ( 4.858 2.773 5.130) 7.590 5.516 ( 7.770 2.811 -8.444) 11.815 ======================= Grid point 399 (135/196) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.000 5.978 10.100) 11.737 0.812 ( 0.000 2.197 18.835) 18.963 1.022 ( 0.000 0.434 -10.923) 10.932 1.354 ( 0.000 1.229 24.363) 24.394 1.501 ( 0.000 0.799 -17.412) 17.430 2.238 ( -0.000 -0.206 -4.003) 4.008 2.335 ( -0.000 -0.244 -4.211) 4.218 2.455 ( -0.000 -1.206 6.815) 6.920 2.865 ( -0.000 -0.005 11.085) 11.085 2.921 ( -0.000 -2.974 -0.701) 3.056 3.079 ( -0.000 -2.018 -7.024) 7.309 3.236 ( -0.000 -0.020 -8.518) 8.518 3.286 ( -0.000 -0.856 3.482) 3.585 3.424 ( -0.000 -0.880 -3.159) 3.279 3.732 ( -0.000 -0.793 8.130) 8.169 3.964 ( -0.000 -0.386 -2.792) 2.819 4.048 ( 0.000 0.372 4.520) 4.535 4.192 ( 0.000 0.452 -2.831) 2.867 4.542 ( -0.000 -4.269 2.901) 5.162 4.680 ( -0.000 -1.406 -4.882) 5.080 5.036 ( -0.000 -4.149 10.355) 11.155 5.169 ( -0.000 -0.010 1.729) 1.730 5.290 ( 0.000 3.256 5.674) 6.542 5.575 ( 0.000 3.809 -9.821) 10.534 ======================= Grid point 406 (136/196) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -10.797 -0.000 5.856) 12.283 1.485 ( -3.151 -0.000 -8.363) 8.937 1.927 ( -15.126 -0.000 -1.527) 15.203 1.976 ( -3.355 -0.000 -3.186) 4.627 2.223 ( 2.818 0.000 8.255) 8.723 2.477 ( -4.122 -0.000 6.108) 7.369 2.544 ( -2.309 -0.000 -8.616) 8.920 2.642 ( 4.293 0.000 3.770) 5.714 2.780 ( -4.111 -0.000 -0.093) 4.112 2.836 ( -0.091 -0.000 -10.865) 10.866 3.360 ( -2.818 -0.000 4.478) 5.291 3.479 ( -1.784 -0.000 0.134) 1.789 3.590 ( 6.367 0.000 -2.215) 6.741 3.703 ( 3.925 0.000 -3.490) 5.252 3.892 ( -4.535 -0.000 2.535) 5.196 3.955 ( -0.540 -0.000 -1.499) 1.593 4.037 ( -2.004 -0.000 0.619) 2.097 4.061 ( -1.963 -0.000 -0.962) 2.186 4.401 ( 7.702 0.000 6.773) 10.256 4.542 ( 6.390 0.000 11.664) 13.300 4.681 ( 1.137 0.000 -5.881) 5.990 4.838 ( 4.669 0.000 -3.077) 5.592 5.216 ( -7.493 -0.000 3.085) 8.103 5.392 ( -2.382 -0.000 -5.063) 5.595 ======================= Grid point 408 (137/196) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -9.035 -0.556 8.875) 12.677 1.411 ( -4.505 -0.357 -10.222) 11.177 1.631 ( -15.281 0.079 2.024) 15.415 1.925 ( -2.124 0.125 -10.203) 10.423 2.271 ( 1.879 -0.118 4.932) 5.280 2.373 ( -7.302 -0.177 9.872) 12.280 2.457 ( -5.529 -0.028 -5.024) 7.471 2.668 ( -2.828 -0.234 -0.478) 2.878 2.682 ( -5.086 -0.048 5.668) 7.616 2.844 ( 1.269 0.017 -8.858) 8.948 3.283 ( -5.143 0.082 5.599) 7.603 3.446 ( -1.457 0.358 -1.008) 1.808 3.715 ( 5.666 0.028 -3.742) 6.790 3.764 ( 1.616 0.120 1.662) 2.321 3.772 ( -7.337 0.070 3.262) 8.030 3.913 ( -3.168 0.220 -2.678) 4.154 4.021 ( 1.645 -0.010 -3.194) 3.593 4.027 ( -1.513 -0.139 -1.268) 1.979 4.622 ( 13.335 0.815 2.127) 13.529 4.662 ( 5.927 -0.191 10.226) 11.821 4.764 ( 7.484 0.364 -3.514) 8.276 4.926 ( 4.585 -0.155 -1.600) 4.858 5.076 ( -6.574 -0.475 4.215) 7.824 5.306 ( -7.136 -1.252 -6.109) 9.477 ======================= Grid point 409 (138/196) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -6.657 0.038 9.339) 11.469 1.313 ( -7.502 -0.336 -13.186) 15.174 1.353 ( -11.551 0.348 9.399) 14.896 1.879 ( -3.099 0.376 -15.739) 16.046 2.125 ( -15.668 -0.420 11.703) 19.561 2.347 ( 2.896 -0.215 2.836) 4.059 2.355 ( -4.691 -0.082 -0.654) 4.737 2.548 ( -8.700 -0.573 -6.111) 10.647 2.624 ( -0.411 -0.040 9.260) 9.269 2.879 ( 2.027 0.020 -4.680) 5.100 3.171 ( -6.130 -0.015 6.132) 8.671 3.416 ( -1.658 0.446 -3.525) 3.921 3.620 ( -8.030 0.012 3.869) 8.914 3.725 ( -5.288 0.233 -3.075) 6.121 3.759 ( -1.491 -0.178 6.614) 6.782 3.916 ( 4.374 0.212 -4.193) 6.063 4.000 ( -1.116 -0.201 -1.118) 1.592 4.110 ( 6.203 -0.112 -8.486) 10.512 4.768 ( 5.523 0.114 8.581) 10.205 4.789 ( 0.064 0.299 3.813) 3.825 4.937 ( 9.655 1.826 -0.498) 9.839 5.003 ( 3.571 -1.927 2.500) 4.767 5.054 ( 3.321 3.085 -3.018) 5.446 5.153 ( -5.404 -5.205 -4.526) 8.763 ======================= Grid point 410 (139/196) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -5.232 1.998 8.141) 9.881 1.086 ( -11.401 0.665 7.163) 13.481 1.232 ( -5.147 0.329 -6.485) 8.285 1.766 ( -12.033 0.919 -3.228) 12.492 1.795 ( -13.999 -0.472 2.620) 14.250 2.283 ( -2.879 -0.200 2.537) 3.842 2.394 ( -5.273 -0.527 -7.497) 9.181 2.399 ( 0.912 -0.618 1.466) 1.834 2.672 ( 5.074 -0.247 6.901) 8.569 2.914 ( 1.087 -0.139 0.052) 1.097 3.061 ( -4.719 -0.478 2.921) 5.571 3.369 ( -3.225 0.093 -6.484) 7.243 3.469 ( -7.687 -0.373 3.324) 8.383 3.589 ( -7.444 0.169 -2.778) 7.948 3.732 ( -1.213 -0.319 8.390) 8.483 3.965 ( -0.430 -0.299 -3.589) 3.627 4.024 ( 3.714 0.273 -0.622) 3.776 4.211 ( 3.254 0.007 -8.198) 8.820 4.714 ( -4.704 -0.958 2.673) 5.495 4.828 ( -9.509 -1.088 -2.433) 9.876 4.892 ( -0.579 -2.243 9.912) 10.179 5.065 ( 4.516 0.312 0.356) 4.540 5.155 ( 9.188 0.796 3.498) 9.864 5.341 ( 12.960 0.698 -5.666) 14.162 ======================= Grid point 411 (140/196) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -3.524 4.479 7.218) 9.197 0.906 ( -6.225 1.346 13.922) 15.310 1.117 ( -6.513 0.719 -9.863) 11.841 1.475 ( -11.303 0.431 22.910) 25.550 1.607 ( -8.540 0.597 -16.923) 18.965 2.243 ( -1.358 -0.406 -1.572) 2.117 2.334 ( -0.928 -0.360 -5.943) 6.026 2.427 ( 0.769 -0.939 5.889) 6.012 2.799 ( 6.836 -0.893 2.240) 7.248 2.896 ( -2.545 -0.074 10.006) 10.325 3.030 ( 0.743 -1.330 -6.548) 6.723 3.291 ( -4.485 -0.176 -8.372) 9.500 3.336 ( -5.971 -0.668 3.060) 6.742 3.466 ( -5.064 -0.432 -2.760) 5.783 3.720 ( -0.292 -0.519 8.701) 8.722 3.957 ( -0.314 -0.432 -2.745) 2.796 4.065 ( 0.267 0.343 1.370) 1.437 4.222 ( -1.433 0.202 -4.520) 4.746 4.591 ( -11.187 -3.522 2.449) 11.982 4.665 ( -1.107 -1.127 -2.803) 3.217 4.961 ( 2.902 -1.402 10.071) 10.574 5.137 ( 2.840 -0.130 1.038) 3.027 5.293 ( 5.542 2.498 4.940) 7.833 5.545 ( 8.263 2.106 -7.989) 11.685 ======================= Grid point 412 (141/196) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.000 5.947 7.749) 9.768 0.837 ( 0.000 2.027 18.105) 18.218 1.027 ( 0.000 0.534 -9.821) 9.835 1.367 ( 0.000 0.854 23.633) 23.648 1.510 ( 0.000 0.755 -17.171) 17.188 2.234 ( -0.000 -0.430 -4.484) 4.505 2.332 ( -0.000 -0.303 -3.485) 3.498 2.441 ( -0.000 -1.173 6.984) 7.082 2.865 ( -0.000 -0.007 11.084) 11.084 2.891 ( -0.000 -2.023 -0.205) 2.033 3.056 ( -0.000 -1.851 -7.303) 7.534 3.236 ( -0.000 -0.019 -8.487) 8.487 3.277 ( -0.000 -0.809 3.456) 3.550 3.414 ( -0.000 -0.819 -3.169) 3.273 3.723 ( -0.000 -0.774 8.513) 8.548 3.958 ( -0.000 -0.510 -2.839) 2.884 4.053 ( 0.000 0.345 4.553) 4.566 4.197 ( 0.000 0.416 -2.844) 2.874 4.498 ( -0.000 -3.192 4.094) 5.191 4.665 ( -0.000 -1.153 -5.152) 5.279 5.001 ( -0.000 -2.072 10.216) 10.424 5.167 ( -0.000 -0.248 1.421) 1.442 5.330 ( 0.000 3.291 5.499) 6.409 5.613 ( 0.000 2.806 -9.328) 9.740 ======================= Grid point 421 (142/196) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -6.232 -0.000 9.240) 11.145 1.311 ( -7.208 -0.000 -13.232) 15.068 1.355 ( -11.637 -0.000 9.516) 15.032 1.881 ( -3.041 -0.000 -15.738) 16.029 2.122 ( -15.627 -0.000 11.698) 19.520 2.346 ( 2.916 0.000 2.885) 4.101 2.355 ( -4.753 -0.000 -0.690) 4.802 2.545 ( -8.676 -0.000 -6.094) 10.602 2.624 ( -0.444 -0.000 9.249) 9.259 2.880 ( 1.995 0.000 -4.676) 5.083 3.171 ( -6.217 -0.000 6.117) 8.722 3.418 ( -1.775 -0.000 -3.656) 4.064 3.620 ( -8.129 -0.000 3.889) 9.012 3.727 ( -5.279 -0.000 -3.256) 6.203 3.758 ( -1.521 -0.000 6.848) 7.015 3.917 ( 4.300 0.000 -4.228) 6.030 3.999 ( -1.092 -0.000 -1.041) 1.509 4.109 ( 6.233 0.000 -8.434) 10.487 4.769 ( 5.447 0.000 8.626) 10.201 4.791 ( -0.566 -0.000 3.893) 3.934 4.950 ( 10.780 0.000 0.209) 10.782 4.989 ( 2.912 0.000 1.610) 3.327 5.086 ( 10.767 0.000 -3.274) 11.254 5.108 ( -12.620 -0.000 -4.131) 13.279 ======================= Grid point 423 (143/196) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -4.409 0.762 7.533) 8.762 1.091 ( -11.222 0.230 6.489) 12.965 1.235 ( -4.933 0.137 -5.565) 7.438 1.777 ( -13.313 0.917 0.965) 13.379 1.787 ( -12.564 -0.777 -1.571) 12.686 2.281 ( -2.944 -0.070 2.286) 3.729 2.390 ( -5.947 -0.185 -8.589) 10.449 2.394 ( 1.618 -0.228 2.919) 3.346 2.670 ( 4.973 -0.085 6.793) 8.419 2.912 ( 1.051 -0.051 -0.101) 1.057 3.058 ( -4.934 -0.165 3.014) 5.784 3.370 ( -3.389 0.051 -6.813) 7.609 3.465 ( -7.891 -0.197 3.652) 8.697 3.591 ( -7.603 0.056 -2.881) 8.131 3.729 ( -1.229 -0.118 8.487) 8.576 3.963 ( -0.511 -0.109 -3.500) 3.539 4.026 ( 3.800 0.096 -0.650) 3.856 4.211 ( 3.323 0.004 -8.095) 8.751 4.706 ( -4.815 -0.342 2.587) 5.476 4.816 ( -13.605 -0.712 -2.655) 13.880 4.878 ( 2.677 -0.468 10.765) 11.103 5.067 ( 4.152 0.064 0.308) 4.164 5.162 ( 10.069 0.349 3.311) 10.605 5.347 ( 13.758 0.320 -5.510) 14.824 ======================= Grid point 424 (144/196) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -2.703 2.662 5.958) 7.063 0.918 ( -5.970 0.732 13.297) 14.594 1.125 ( -6.535 0.467 -8.791) 10.964 1.478 ( -11.211 0.148 22.808) 25.415 1.613 ( -8.467 0.322 -16.948) 18.948 2.239 ( -1.426 -0.264 -2.109) 2.559 2.331 ( -0.834 -0.207 -5.365) 5.433 2.418 ( 0.672 -0.542 5.990) 6.052 2.792 ( 6.518 -0.411 2.089) 6.857 2.896 ( -2.517 -0.051 10.027) 10.338 3.018 ( 0.480 -0.728 -6.641) 6.698 3.289 ( -4.503 -0.085 -8.591) 9.700 3.329 ( -5.955 -0.448 3.414) 6.879 3.462 ( -5.367 -0.256 -2.816) 6.066 3.715 ( -0.391 -0.291 8.815) 8.829 3.953 ( -0.360 -0.276 -2.772) 2.808 4.069 ( 0.206 0.185 1.496) 1.522 4.224 ( -1.328 0.116 -4.439) 4.635 4.560 ( -10.543 -1.801 3.444) 11.237 4.655 ( -0.965 -0.596 -2.991) 3.199 4.951 ( 2.898 -0.520 9.599) 10.040 5.135 ( 2.732 -0.101 0.802) 2.849 5.316 ( 5.945 1.443 4.875) 7.822 5.564 ( 8.448 1.131 -7.581) 11.407 ======================= Grid point 425 (145/196) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 4.457 5.945) 7.431 0.858 ( 0.000 1.415 17.538) 17.595 1.033 ( 0.000 0.411 -8.564) 8.574 1.374 ( 0.000 0.403 22.963) 22.967 1.517 ( 0.000 0.536 -16.972) 16.980 2.229 ( -0.000 -0.422 -4.806) 4.824 2.329 ( -0.000 -0.242 -3.011) 3.021 2.429 ( -0.000 -0.859 7.070) 7.122 2.864 ( -0.000 -0.006 11.083) 11.083 2.874 ( -0.000 -1.079 -0.074) 1.082 3.037 ( -0.000 -1.289 -7.446) 7.557 3.236 ( -0.000 -0.010 -8.483) 8.483 3.268 ( -0.000 -0.579 3.462) 3.510 3.406 ( -0.000 -0.576 -3.179) 3.231 3.715 ( -0.000 -0.551 8.761) 8.778 3.953 ( -0.000 -0.442 -2.888) 2.922 4.056 ( 0.000 0.242 4.578) 4.585 4.201 ( 0.000 0.289 -2.854) 2.869 4.469 ( -0.000 -1.813 4.607) 4.951 4.653 ( -0.000 -0.737 -5.316) 5.366 4.984 ( -0.000 -0.921 9.731) 9.774 5.164 ( -0.000 -0.210 1.082) 1.102 5.363 ( 0.000 2.365 5.439) 5.931 5.640 ( 0.000 1.747 -8.691) 8.865 ======================= Grid point 436 (146/196) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -2.399 -0.000 5.496) 5.996 0.922 ( -5.880 -0.000 13.071) 14.333 1.127 ( -6.551 -0.000 -8.376) 10.633 1.479 ( -11.192 -0.000 22.804) 25.402 1.615 ( -8.434 -0.000 -16.978) 18.957 2.237 ( -1.459 -0.000 -2.323) 2.743 2.330 ( -0.801 -0.000 -5.146) 5.208 2.415 ( 0.634 0.000 6.029) 6.062 2.790 ( 6.425 0.000 2.027) 6.737 2.895 ( -2.505 -0.000 10.032) 10.340 3.014 ( 0.382 0.000 -6.665) 6.676 3.289 ( -4.523 -0.000 -8.710) 9.814 3.326 ( -5.916 -0.000 3.591) 6.920 3.460 ( -5.470 -0.000 -2.841) 6.164 3.714 ( -0.428 -0.000 8.851) 8.861 3.951 ( -0.382 -0.000 -2.780) 2.806 4.070 ( 0.185 0.000 1.541) 1.552 4.224 ( -1.292 -0.000 -4.413) 4.598 4.550 ( -10.270 -0.000 3.736) 10.929 4.651 ( -0.913 -0.000 -3.053) 3.186 4.948 ( 2.881 0.000 9.423) 9.853 5.135 ( 2.702 0.000 0.713) 2.794 5.325 ( 6.079 0.000 4.859) 7.782 5.571 ( 8.492 0.000 -7.424) 11.280 ======================= Grid point 438 (147/196) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 1.672 4.920) 5.196 0.869 ( 0.000 0.506 17.232) 17.239 1.036 ( 0.000 0.145 -7.667) 7.668 1.377 ( 0.000 0.099 22.549) 22.549 1.522 ( 0.000 0.194 -16.860) 16.861 2.225 ( -0.000 -0.174 -4.991) 4.994 2.327 ( -0.000 -0.091 -2.771) 2.773 2.422 ( -0.000 -0.317 7.105) 7.112 2.864 ( -0.000 -0.002 11.083) 11.083 2.866 ( -0.000 -0.329 -0.065) 0.335 3.027 ( -0.000 -0.461 -7.497) 7.511 3.236 ( -0.000 -0.002 -8.510) 8.510 3.264 ( -0.000 -0.211 3.495) 3.502 3.401 ( -0.000 -0.206 -3.187) 3.193 3.711 ( -0.000 -0.198 8.869) 8.871 3.949 ( -0.000 -0.175 -2.920) 2.925 4.058 ( 0.000 0.087 4.592) 4.593 4.204 ( 0.000 0.103 -2.860) 2.862 4.455 ( -0.000 -0.573 4.760) 4.794 4.648 ( -0.000 -0.251 -5.387) 5.393 4.977 ( -0.000 -0.259 9.436) 9.439 5.162 ( -0.000 -0.076 0.885) 0.888 5.382 ( 0.000 0.855 5.413) 5.480 5.653 ( 0.000 0.595 -8.290) 8.311 ======================= Grid point 525 (148/196) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 0.000 -18.028) 18.028 0.699 ( 0.000 0.000 18.028) 18.028 1.135 ( 0.000 0.000 -19.572) 19.572 1.135 ( 0.000 0.000 19.572) 19.572 1.848 ( 0.000 0.000 -26.994) 26.994 1.848 ( 0.000 0.000 26.994) 26.994 2.469 ( 0.000 0.000 -6.890) 6.890 2.469 ( 0.000 0.000 6.890) 6.890 3.017 ( 0.000 0.000 -4.500) 4.500 3.017 ( 0.000 0.000 4.500) 4.500 3.062 ( 0.000 0.000 -10.138) 10.138 3.062 ( 0.000 0.000 10.138) 10.138 3.376 ( 0.000 0.000 -3.941) 3.941 3.376 ( 0.000 0.000 3.941) 3.941 3.880 ( 0.000 0.000 -6.466) 6.466 3.880 ( 0.000 0.000 6.466) 6.466 4.119 ( 0.000 0.000 -3.926) 3.926 4.119 ( 0.000 0.000 3.926) 3.926 4.658 ( 0.000 0.000 -1.963) 1.963 4.658 ( 0.000 0.000 1.963) 1.963 5.196 ( 0.000 0.000 -3.684) 3.684 5.196 ( 0.000 0.000 3.684) 3.684 5.346 ( 0.000 0.000 -4.563) 4.563 5.346 ( 0.000 0.000 4.563) 4.563 ======================= Grid point 527 (149/196) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 5.275 -0.365 -16.426) 17.256 0.751 ( 5.275 -0.365 16.426) 17.256 1.230 ( 8.273 -0.296 -18.857) 20.594 1.230 ( 8.273 -0.296 18.857) 20.594 1.915 ( 7.115 -0.096 -24.185) 25.210 1.915 ( 7.115 -0.096 24.185) 25.210 2.450 ( -1.761 0.127 -6.265) 6.509 2.450 ( -1.761 0.127 6.265) 6.509 2.939 ( -5.499 0.415 -5.092) 7.506 2.939 ( -5.499 0.415 5.092) 7.506 3.131 ( 5.148 0.176 -9.158) 10.508 3.131 ( 5.148 0.176 9.158) 10.508 3.417 ( 3.962 0.017 -3.921) 5.574 3.417 ( 3.962 0.017 3.921) 5.574 3.882 ( 0.214 0.081 -6.599) 6.603 3.882 ( 0.214 0.081 6.599) 6.603 4.115 ( -1.136 -0.118 -5.158) 5.283 4.115 ( -1.136 -0.118 5.158) 5.283 4.720 ( 5.964 0.697 -0.692) 6.044 4.720 ( 5.964 0.697 0.692) 6.044 5.146 ( -5.044 -0.022 -2.977) 5.857 5.146 ( -5.044 -0.022 2.977) 5.857 5.318 ( -2.568 -0.090 -4.958) 5.584 5.318 ( -2.568 -0.090 4.958) 5.584 ======================= Grid point 529 (150/196) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 9.254 -0.359 -14.416) 17.135 0.898 ( 9.254 -0.359 14.416) 17.135 1.398 ( 8.249 -0.493 -18.269) 20.051 1.398 ( 8.249 -0.493 18.269) 20.051 2.120 ( 13.440 0.116 -17.445) 22.022 2.120 ( 13.440 0.116 17.445) 22.022 2.411 ( -1.698 0.314 -3.776) 4.152 2.411 ( -1.698 0.314 3.776) 4.152 2.838 ( -4.264 0.337 -7.330) 8.487 2.838 ( -4.264 0.337 7.330) 8.487 3.228 ( 4.466 0.190 -8.831) 9.898 3.228 ( 4.466 0.190 8.831) 9.898 3.521 ( 6.623 -0.356 -3.481) 7.490 3.521 ( 6.623 -0.356 3.481) 7.490 3.885 ( -0.089 0.201 -6.382) 6.386 3.885 ( -0.089 0.201 6.382) 6.386 4.065 ( -3.783 -0.167 -6.077) 7.160 4.065 ( -3.783 -0.167 6.077) 7.160 4.828 ( 3.963 0.564 -2.188) 4.562 4.828 ( 3.963 0.564 2.188) 4.562 5.015 ( -8.259 -0.835 -2.099) 8.563 5.015 ( -8.259 -0.835 2.099) 8.563 5.270 ( -1.135 1.481 -6.751) 7.004 5.270 ( -1.135 1.481 6.751) 7.004 ======================= Grid point 531 (151/196) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 10.210 0.352 -12.803) 16.379 1.090 ( 10.210 0.352 12.803) 16.379 1.555 ( 8.058 -0.488 -15.069) 17.095 1.555 ( 8.058 -0.488 15.069) 17.095 2.343 ( 4.425 0.469 -4.327) 6.207 2.343 ( 4.425 0.469 4.327) 6.207 2.435 ( 8.662 0.416 -7.991) 11.792 2.435 ( 8.662 0.416 7.991) 11.792 2.774 ( -2.387 0.076 -6.515) 6.939 2.774 ( -2.387 0.076 6.515) 6.939 3.297 ( 2.982 -0.295 -6.286) 6.964 3.297 ( 2.982 -0.295 6.286) 6.964 3.664 ( 7.399 -0.440 -2.927) 7.969 3.664 ( 7.399 -0.440 2.927) 7.969 3.850 ( -4.209 -0.000 -2.559) 4.926 3.850 ( -4.209 -0.000 2.559) 4.926 4.005 ( -1.432 0.014 -2.137) 2.572 4.005 ( -1.432 0.014 2.137) 2.572 4.796 ( -8.073 -0.825 -3.062) 8.674 4.796 ( -8.073 -0.825 3.062) 8.674 4.890 ( -3.834 -0.781 -5.203) 6.510 4.890 ( -3.834 -0.781 5.203) 6.510 5.279 ( 3.173 3.181 -9.408) 10.426 5.279 ( 3.173 3.181 9.408) 10.426 ======================= Grid point 533 (152/196) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 8.821 1.476 -10.268) 13.617 1.271 ( 8.821 1.476 10.268) 13.617 1.725 ( 9.449 -0.302 -8.686) 12.839 1.725 ( 9.449 -0.302 8.686) 12.839 2.373 ( 1.348 0.175 -4.533) 4.732 2.373 ( 1.348 0.175 4.533) 4.732 2.604 ( 5.426 0.733 -10.936) 12.230 2.604 ( 5.426 0.733 10.936) 12.230 2.744 ( -0.414 0.032 -1.270) 1.336 2.744 ( -0.414 0.032 1.270) 1.336 3.359 ( 3.284 -0.795 -3.661) 4.982 3.359 ( 3.284 -0.795 3.661) 4.982 3.722 ( -5.770 0.156 -3.035) 6.521 3.722 ( -5.770 0.156 3.035) 6.521 3.812 ( 4.933 -0.886 -3.991) 6.407 3.812 ( 4.933 -0.886 3.991) 6.407 4.009 ( 1.320 -0.024 -0.986) 1.648 4.009 ( 1.320 -0.024 0.986) 1.648 4.629 ( -8.224 -0.934 -5.494) 9.934 4.629 ( -8.224 -0.934 5.494) 9.934 4.822 ( -4.029 -0.326 -7.278) 8.325 4.822 ( -4.029 -0.326 7.278) 8.325 5.331 ( 3.588 3.109 -8.993) 10.169 5.331 ( 3.588 3.109 8.993) 10.169 ======================= Grid point 535 (153/196) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 5.900 1.949 -6.400) 8.920 1.404 ( 5.900 1.949 6.400) 8.920 1.921 ( 10.677 -0.116 -1.301) 10.757 1.921 ( 10.677 -0.116 1.301) 10.757 2.391 ( -0.301 0.239 -8.320) 8.329 2.391 ( -0.301 0.239 8.320) 8.329 2.624 ( -1.109 -0.284 -9.234) 9.305 2.624 ( -1.109 -0.284 9.234) 9.305 2.750 ( -0.003 0.591 -3.684) 3.731 2.750 ( -0.003 0.591 3.684) 3.731 3.427 ( 2.963 -0.604 -2.792) 4.116 3.427 ( 2.963 -0.604 2.792) 4.116 3.608 ( -5.186 -0.229 -3.614) 6.326 3.608 ( -5.186 -0.229 3.614) 6.326 3.898 ( 2.778 -0.851 -1.819) 3.428 3.898 ( 2.778 -0.851 1.819) 3.428 4.043 ( 1.898 -0.066 -0.565) 1.981 4.043 ( 1.898 -0.066 0.565) 1.981 4.525 ( -2.459 -0.616 -8.232) 8.613 4.525 ( -2.459 -0.616 8.232) 8.613 4.739 ( -4.636 0.167 -8.331) 9.535 4.739 ( -4.636 0.167 8.331) 9.535 5.371 ( 2.133 2.166 -6.298) 6.993 5.371 ( 2.133 2.166 6.298) 6.993 ======================= Grid point 537 (154/196) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 2.066 0.923 -2.176) 3.140 1.473 ( 2.066 0.923 2.176) 3.140 2.126 ( 9.950 -0.115 -4.517) 10.927 2.126 ( 9.950 -0.115 4.517) 10.928 2.320 ( -6.629 0.311 -8.310) 10.634 2.320 ( -6.629 0.311 8.310) 10.634 2.627 ( 1.092 -0.497 -4.572) 4.727 2.627 ( 1.092 -0.497 4.572) 4.727 2.727 ( -1.477 0.417 -3.667) 3.976 2.727 ( -1.477 0.417 3.667) 3.976 3.476 ( 2.019 -0.153 -3.321) 3.890 3.476 ( 2.019 -0.153 3.321) 3.890 3.531 ( -2.933 -0.189 -3.908) 4.890 3.531 ( -2.933 -0.189 3.908) 4.890 3.928 ( 0.374 -0.385 -0.969) 1.108 3.928 ( 0.374 -0.385 0.969) 1.108 4.074 ( 0.999 -0.004 -0.460) 1.100 4.074 ( 0.999 -0.004 0.460) 1.100 4.540 ( 2.858 -0.636 -8.375) 8.872 4.540 ( 2.858 -0.636 8.375) 8.872 4.644 ( -4.615 0.539 -8.060) 9.303 4.644 ( -4.615 0.539 8.060) 9.303 5.389 ( 0.662 0.784 -2.270) 2.491 5.389 ( 0.662 0.784 2.270) 2.491 ======================= Grid point 553 (155/196) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 9.410 0.000 -14.564) 17.339 0.896 ( 9.410 0.000 14.564) 17.339 1.395 ( 8.286 0.000 -18.314) 20.101 1.395 ( 8.286 0.000 18.314) 20.101 2.121 ( 13.545 0.000 -17.534) 22.156 2.121 ( 13.545 0.000 17.534) 22.156 2.413 ( -1.713 -0.000 -3.832) 4.198 2.413 ( -1.713 -0.000 3.832) 4.198 2.840 ( -4.382 -0.000 -7.301) 8.515 2.840 ( -4.382 -0.000 7.301) 8.515 3.229 ( 4.366 0.000 -8.782) 9.808 3.229 ( 4.366 0.000 8.782) 9.808 3.519 ( 6.573 0.000 -3.565) 7.478 3.519 ( 6.573 0.000 3.565) 7.478 3.886 ( -0.105 -0.000 -6.387) 6.387 3.886 ( -0.105 -0.000 6.387) 6.387 4.064 ( -3.740 -0.000 -6.110) 7.164 4.064 ( -3.740 -0.000 6.110) 7.164 4.831 ( 3.621 0.000 -1.905) 4.092 4.831 ( 3.621 0.000 1.905) 4.092 5.010 ( -8.414 -0.000 -2.351) 8.737 5.010 ( -8.414 -0.000 2.351) 8.737 5.280 ( -0.653 -0.000 -7.197) 7.227 5.280 ( -0.653 -0.000 7.197) 7.227 ======================= Grid point 555 (156/196) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 10.605 0.129 -12.814) 16.634 1.093 ( 10.605 0.129 12.814) 16.634 1.551 ( 8.164 -0.172 -15.089) 17.157 1.551 ( 8.164 -0.172 15.089) 17.157 2.347 ( 4.231 0.170 -4.109) 5.901 2.347 ( 4.231 0.170 4.109) 5.901 2.438 ( 8.919 0.154 -8.205) 12.120 2.438 ( 8.919 0.154 8.205) 12.120 2.775 ( -2.505 0.028 -6.532) 6.996 2.775 ( -2.505 0.028 6.532) 6.996 3.295 ( 2.736 -0.116 -6.142) 6.725 3.295 ( 2.736 -0.116 6.142) 6.725 3.660 ( 7.503 -0.174 -3.113) 8.125 3.660 ( 7.503 -0.174 3.113) 8.125 3.850 ( -4.387 0.004 -2.427) 5.013 3.850 ( -4.387 0.004 2.427) 5.013 4.005 ( -1.363 0.004 -2.066) 2.475 4.005 ( -1.363 0.004 2.066) 2.475 4.789 ( -8.428 -0.311 -3.168) 9.009 4.789 ( -8.428 -0.311 3.168) 9.009 4.884 ( -3.449 -0.252 -5.160) 6.211 4.884 ( -3.449 -0.252 5.160) 6.211 5.304 ( 3.096 1.152 -10.143) 10.667 5.304 ( 3.096 1.152 10.143) 10.667 ======================= Grid point 557 (157/196) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 9.188 0.833 -10.064) 13.653 1.285 ( 9.188 0.833 10.064) 13.653 1.722 ( 9.582 -0.167 -8.673) 12.926 1.722 ( 9.582 -0.167 8.673) 12.926 2.374 ( 1.253 0.099 -4.424) 4.599 2.374 ( 1.253 0.099 4.424) 4.599 2.611 ( 5.112 0.420 -11.046) 12.179 2.611 ( 5.112 0.420 11.046) 12.179 2.745 ( -0.196 0.011 -1.189) 1.206 2.745 ( -0.196 0.011 1.189) 1.206 3.352 ( 3.239 -0.479 -3.423) 4.737 3.352 ( 3.239 -0.479 3.423) 4.737 3.723 ( -6.122 0.083 -2.950) 6.796 3.723 ( -6.122 0.083 2.950) 6.796 3.803 ( 5.182 -0.487 -4.017) 6.575 3.803 ( 5.182 -0.487 4.017) 6.575 4.009 ( 1.247 -0.019 -1.003) 1.601 4.009 ( 1.247 -0.019 1.003) 1.601 4.620 ( -7.954 -0.501 -5.651) 9.769 4.620 ( -7.954 -0.501 5.651) 9.769 4.819 ( -3.795 -0.177 -7.191) 8.133 4.819 ( -3.795 -0.177 7.191) 8.133 5.359 ( 3.027 1.740 -9.464) 10.087 5.359 ( 3.027 1.740 9.464) 10.087 ======================= Grid point 559 (158/196) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 5.667 1.368 -6.059) 8.408 1.424 ( 5.667 1.368 6.059) 8.408 1.920 ( 10.749 -0.071 -1.211) 10.817 1.920 ( 10.749 -0.071 1.211) 10.817 2.393 ( -0.170 0.161 -8.176) 8.179 2.393 ( -0.170 0.161 8.176) 8.179 2.621 ( -1.569 -0.226 -9.043) 9.181 2.621 ( -1.569 -0.226 9.043) 9.181 2.756 ( 0.051 0.429 -3.505) 3.532 2.756 ( 0.051 0.429 3.505) 3.532 3.420 ( 3.231 -0.460 -2.521) 4.124 3.420 ( 3.231 -0.460 2.521) 4.124 3.606 ( -5.279 -0.168 -3.359) 6.259 3.606 ( -5.279 -0.168 3.359) 6.259 3.890 ( 2.897 -0.551 -1.894) 3.504 3.890 ( 2.897 -0.551 1.894) 3.504 4.042 ( 1.951 -0.044 -0.534) 2.023 4.042 ( 1.951 -0.044 0.534) 2.023 4.519 ( -2.387 -0.430 -8.208) 8.559 4.519 ( -2.387 -0.430 8.208) 8.559 4.740 ( -4.394 0.098 -8.289) 9.382 4.740 ( -4.394 0.098 8.289) 9.382 5.393 ( 1.406 1.535 -6.612) 6.932 5.393 ( 1.406 1.535 6.612) 6.932 ======================= Grid point 561 (159/196) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 1.076 0.721 -1.797) 2.215 1.483 ( 1.076 0.721 1.797) 2.215 2.125 ( 9.914 -0.077 -4.647) 10.949 2.125 ( 9.914 -0.077 4.647) 10.949 2.324 ( -6.774 0.248 -8.231) 10.663 2.324 ( -6.774 0.248 8.231) 10.663 2.622 ( 1.406 -0.441 -5.175) 5.381 2.622 ( 1.406 -0.441 5.175) 5.381 2.731 ( -1.742 0.380 -4.238) 4.598 2.731 ( -1.742 0.380 4.238) 4.598 3.474 ( 2.234 -0.148 -3.102) 3.826 3.474 ( 2.234 -0.148 3.102) 3.826 3.529 ( -2.776 -0.153 -3.591) 4.542 3.529 ( -2.776 -0.153 3.591) 4.542 3.924 ( 0.788 -0.292 -0.976) 1.288 3.924 ( 0.788 -0.292 0.976) 1.288 4.074 ( 1.030 0.030 -0.384) 1.099 4.074 ( 1.030 0.030 0.384) 1.099 4.533 ( 2.931 -0.552 -8.346) 8.863 4.533 ( 2.931 -0.552 8.346) 8.863 4.650 ( -4.593 0.418 -8.154) 9.368 4.650 ( -4.593 0.418 8.154) 9.368 5.397 ( -0.208 0.664 -2.573) 2.665 5.397 ( -0.208 0.664 2.573) 2.665 ======================= Grid point 563 (160/196) ======================= q-point: (-0.54 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -3.105 -0.924 -2.570) 4.136 1.462 ( -3.105 -0.924 2.570) 4.136 2.128 ( -9.991 0.132 -4.342) 10.894 2.128 ( -9.991 0.132 4.342) 10.894 2.317 ( 6.491 -0.308 -8.417) 10.633 2.317 ( 6.491 -0.308 8.417) 10.633 2.633 ( -0.732 0.425 -3.780) 3.874 2.633 ( -0.732 0.425 3.780) 3.874 2.722 ( 1.136 -0.344 -2.881) 3.116 2.722 ( 1.136 -0.344 2.881) 3.116 3.478 ( -1.804 0.120 -3.540) 3.975 3.478 ( -1.804 0.120 3.540) 3.975 3.533 ( 3.101 0.182 -4.208) 5.230 3.533 ( 3.101 0.182 4.208) 5.230 3.933 ( 0.097 0.394 -0.831) 0.925 3.933 ( 0.097 0.394 0.831) 0.925 4.074 ( -0.982 0.047 -0.581) 1.142 4.074 ( -0.982 0.047 0.581) 1.142 4.547 ( -2.729 0.567 -8.359) 8.812 4.547 ( -2.729 0.567 8.359) 8.812 4.638 ( 4.591 -0.542 -7.910) 9.162 4.638 ( 4.591 -0.542 7.910) 9.162 5.380 ( -1.590 -0.719 -1.942) 2.611 5.380 ( -1.590 -0.719 1.942) 2.611 ======================= Grid point 565 (161/196) ======================= q-point: (-0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -6.163 -2.097 -6.826) 9.433 1.380 ( -6.163 -2.097 6.826) 9.433 1.923 ( -10.597 0.143 -1.411) 10.692 1.923 ( -10.597 0.143 1.411) 10.692 2.388 ( 0.449 -0.269 -8.490) 8.506 2.388 ( 0.449 -0.269 8.490) 8.506 2.627 ( 0.550 0.258 -9.464) 9.484 2.627 ( 0.550 0.258 9.464) 9.484 2.742 ( 0.081 -0.611 -3.904) 3.952 2.742 ( 0.081 -0.611 3.904) 3.952 3.434 ( -2.659 0.585 -3.139) 4.156 3.434 ( -2.659 0.585 3.139) 4.156 3.611 ( 5.056 0.230 -3.879) 6.377 3.611 ( 5.056 0.230 3.879) 6.377 3.909 ( -2.616 1.005 -1.706) 3.281 3.909 ( -2.616 1.005 1.706) 3.281 4.044 ( -1.855 0.072 -0.588) 1.947 4.044 ( -1.855 0.072 0.588) 1.947 4.533 ( 2.586 0.670 -8.242) 8.664 4.533 ( 2.586 0.670 8.242) 8.664 4.736 ( 4.938 -0.222 -8.350) 9.704 4.736 ( 4.938 -0.222 8.350) 9.704 5.344 ( -3.030 -2.302 -5.907) 7.027 5.344 ( -3.030 -2.302 5.907) 7.027 ======================= Grid point 567 (162/196) ======================= q-point: (-0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -8.296 -1.786 -10.547) 13.537 1.252 ( -8.296 -1.786 10.547) 13.537 1.729 ( -9.258 0.376 -8.715) 12.720 1.729 ( -9.258 0.376 8.715) 12.720 2.370 ( -1.468 -0.212 -4.686) 4.915 2.370 ( -1.468 -0.212 4.686) 4.915 2.595 ( -5.820 -0.874 -10.764) 12.268 2.595 ( -5.820 -0.874 10.764) 12.268 2.744 ( 0.680 -0.057 -1.410) 1.567 2.744 ( 0.680 -0.057 1.410) 1.567 3.369 ( -3.356 0.875 -4.014) 5.305 3.369 ( -3.356 0.875 4.014) 5.305 3.720 ( 5.359 -0.200 -3.073) 6.180 3.720 ( 5.359 -0.200 3.073) 6.180 3.823 ( -4.711 1.107 -3.925) 6.231 3.823 ( -4.711 1.107 3.925) 6.231 4.010 ( -1.427 0.008 -0.937) 1.707 4.010 ( -1.427 0.008 0.937) 1.707 4.642 ( 8.619 1.216 -5.214) 10.147 4.642 ( 8.619 1.216 5.214) 10.147 4.826 ( 4.425 0.423 -7.364) 8.602 4.826 ( 4.425 0.423 7.364) 8.602 5.290 ( -4.415 -3.814 -8.335) 10.174 5.290 ( -4.415 -3.814 8.335) 10.174 ======================= Grid point 569 (163/196) ======================= q-point: (-0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -9.495 -0.480 -12.756) 15.909 1.085 ( -9.495 -0.480 12.756) 15.909 1.562 ( -7.859 0.718 -15.035) 16.981 1.562 ( -7.859 0.718 15.035) 16.981 2.336 ( -4.791 -0.662 -4.724) 6.761 2.336 ( -4.791 -0.662 4.724) 6.761 2.429 ( -8.196 -0.567 -7.586) 11.182 2.429 ( -8.196 -0.567 7.586) 11.182 2.773 ( 2.191 -0.107 -6.499) 6.859 2.773 ( 2.191 -0.107 6.499) 6.859 3.301 ( -3.398 0.358 -6.544) 7.383 3.301 ( -3.398 0.358 6.544) 7.383 3.670 ( -7.244 0.512 -2.654) 7.731 3.670 ( -7.244 0.512 2.654) 7.731 3.850 ( 3.872 0.029 -2.788) 4.772 3.850 ( 3.872 0.029 2.788) 4.772 4.005 ( 1.562 -0.024 -2.248) 2.738 4.005 ( 1.562 -0.024 2.248) 2.738 4.807 ( 7.283 1.058 -2.791) 7.871 4.807 ( 7.283 1.058 2.791) 7.871 4.903 ( 4.584 1.354 -5.187) 7.054 4.903 ( 4.584 1.354 5.187) 7.054 5.233 ( -3.172 -4.498 -8.144) 9.830 5.233 ( -3.172 -4.498 8.144) 9.830 ======================= Grid point 571 (164/196) ======================= q-point: (-0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -8.795 0.696 -13.981) 16.532 0.904 ( -8.795 0.696 13.981) 16.532 1.407 ( -8.146 0.905 -18.142) 19.908 1.407 ( -8.146 0.905 18.142) 19.908 2.118 ( -13.159 -0.257 -17.203) 21.661 2.118 ( -13.159 -0.257 17.203) 21.661 2.406 ( 1.648 -0.519 -3.623) 4.014 2.406 ( 1.648 -0.519 3.623) 4.014 2.833 ( 3.951 -0.570 -7.392) 8.401 2.833 ( 3.951 -0.570 7.392) 8.401 3.225 ( -4.712 -0.310 -8.970) 10.137 3.225 ( -4.712 -0.310 8.970) 10.137 3.527 ( -6.783 0.472 -3.310) 7.563 3.527 ( -6.783 0.472 3.310) 7.563 3.882 ( 0.041 -0.339 -6.372) 6.382 3.882 ( 0.041 -0.339 6.372) 6.382 4.068 ( 3.899 0.289 -5.985) 7.149 4.068 ( 3.899 0.289 5.985) 7.149 4.818 ( -4.918 -1.051 -2.764) 5.738 4.818 ( -4.918 -1.051 2.764) 5.738 5.027 ( 7.574 1.002 -1.494) 7.785 5.027 ( 7.574 1.002 1.494) 7.785 5.249 ( 2.789 -1.880 -5.789) 6.695 5.249 ( 2.789 -1.880 5.789) 6.695 ======================= Grid point 573 (165/196) ======================= q-point: (-0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -5.135 1.106 -15.855) 16.703 0.759 ( -5.135 1.106 15.855) 16.703 1.236 ( -8.237 0.832 -18.692) 20.443 1.236 ( -8.237 0.832 18.692) 20.443 1.917 ( -6.986 0.218 -23.956) 24.955 1.917 ( -6.986 0.218 23.956) 24.955 2.447 ( 1.848 -0.369 -6.076) 6.361 2.447 ( 1.848 -0.369 6.076) 6.361 2.930 ( 5.190 -1.118 -5.465) 7.619 2.930 ( 5.190 -1.118 5.465) 7.619 3.127 ( -5.120 -0.415 -9.396) 10.708 3.127 ( -5.120 -0.415 9.396) 10.708 3.417 ( -4.293 -0.120 -3.842) 5.762 3.417 ( -4.293 -0.120 3.842) 5.762 3.880 ( -0.161 -0.240 -6.646) 6.652 3.880 ( -0.161 -0.240 6.646) 6.652 4.117 ( 1.129 0.320 -5.107) 5.240 4.117 ( 1.129 0.320 5.107) 5.240 4.705 ( -6.136 -1.855 -0.486) 6.429 4.705 ( -6.136 -1.855 0.486) 6.429 5.144 ( 4.449 -0.442 -1.226) 4.636 5.144 ( 4.449 -0.442 1.226) 4.636 5.323 ( 3.521 0.902 -5.616) 6.690 5.323 ( 3.521 0.902 5.616) 6.690 ======================= Grid point 575 (166/196) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 0.838 -17.674) 17.694 0.704 ( 0.000 0.838 17.674) 17.694 1.138 ( 0.000 0.616 -19.470) 19.480 1.138 ( 0.000 0.616 19.470) 19.480 1.850 ( 0.000 0.283 -26.862) 26.863 1.850 ( 0.000 0.283 26.862) 26.863 2.468 ( -0.000 -0.142 -6.749) 6.751 2.468 ( -0.000 -0.142 6.749) 6.751 3.009 ( -0.000 -1.385 -4.645) 4.847 3.009 ( -0.000 -1.385 4.645) 4.847 3.062 ( -0.000 -0.000 -10.137) 10.137 3.062 ( -0.000 -0.000 10.137) 10.137 3.373 ( -0.000 -0.415 -3.938) 3.960 3.373 ( -0.000 -0.415 3.938) 3.960 3.880 ( -0.000 -0.098 -6.508) 6.509 3.880 ( -0.000 -0.098 6.508) 6.509 4.121 ( 0.000 0.204 -3.933) 3.938 4.121 ( 0.000 0.204 3.933) 3.938 4.649 ( -0.000 -1.387 -2.182) 2.585 4.649 ( -0.000 -1.387 2.182) 2.585 5.193 ( -0.000 -0.673 -2.304) 2.400 5.193 ( -0.000 -0.673 2.304) 2.400 5.352 ( 0.000 1.220 -5.381) 5.517 5.352 ( 0.000 1.220 5.381) 5.517 ======================= Grid point 581 (167/196) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 9.320 0.000 -9.989) 13.662 1.290 ( 9.320 0.000 9.989) 13.662 1.721 ( 9.630 0.000 -8.670) 12.958 1.721 ( 9.630 0.000 8.670) 12.958 2.375 ( 1.216 0.000 -4.384) 4.550 2.375 ( 1.216 0.000 4.384) 4.550 2.613 ( 4.990 0.000 -11.083) 12.155 2.613 ( 4.990 0.000 11.083) 12.155 2.745 ( -0.109 -0.000 -1.165) 1.170 2.745 ( -0.109 -0.000 1.165) 1.170 3.349 ( 3.224 0.000 -3.340) 4.642 3.349 ( 3.224 0.000 3.340) 4.642 3.724 ( -6.264 -0.000 -2.902) 6.903 3.724 ( -6.264 -0.000 2.902) 6.903 3.801 ( 5.293 0.000 -4.019) 6.646 3.801 ( 5.293 0.000 4.019) 6.646 4.009 ( 1.221 0.000 -1.007) 1.583 4.009 ( 1.221 0.000 1.007) 1.583 4.617 ( -7.858 -0.000 -5.701) 9.708 4.617 ( -7.858 -0.000 5.701) 9.708 4.818 ( -3.719 -0.000 -7.156) 8.065 4.818 ( -3.719 -0.000 7.156) 8.065 5.370 ( 2.828 0.000 -9.635) 10.041 5.370 ( 2.828 0.000 9.635) 10.041 ======================= Grid point 583 (168/196) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 5.530 0.491 -5.871) 8.080 1.435 ( 5.530 0.491 5.871) 8.080 1.920 ( 10.792 -0.024 -1.161) 10.854 1.920 ( 10.792 -0.024 1.161) 10.854 2.394 ( -0.093 0.056 -8.092) 8.093 2.394 ( -0.093 0.056 8.092) 8.093 2.619 ( -1.828 -0.087 -8.935) 9.121 2.619 ( -1.828 -0.087 8.935) 9.121 2.759 ( 0.076 0.157 -3.407) 3.412 2.759 ( 0.076 0.157 3.407) 3.412 3.417 ( 3.390 -0.173 -2.378) 4.145 3.417 ( 3.390 -0.173 2.378) 4.145 3.604 ( -5.325 -0.061 -3.201) 6.213 3.604 ( -5.325 -0.061 3.201) 6.213 3.885 ( 2.958 -0.189 -1.928) 3.535 3.885 ( 2.958 -0.189 1.928) 3.535 4.042 ( 1.987 -0.015 -0.512) 2.052 4.042 ( 1.987 -0.015 0.512) 2.052 4.515 ( -2.358 -0.154 -8.191) 8.525 4.515 ( -2.358 -0.154 8.191) 8.525 4.741 ( -4.261 0.032 -8.258) 9.292 4.741 ( -4.261 0.032 8.258) 9.292 5.405 ( 1.001 0.553 -6.787) 6.883 5.405 ( 1.001 0.553 6.787) 6.883 ======================= Grid point 585 (169/196) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.367 0.389 -1.516) 1.607 1.489 ( 0.367 0.389 1.516) 1.607 2.125 ( 9.889 -0.037 -4.721) 10.958 2.125 ( 9.889 -0.037 4.721) 10.958 2.326 ( -6.885 0.136 -8.189) 10.699 2.326 ( -6.885 0.136 8.189) 10.699 2.617 ( 1.623 -0.259 -5.541) 5.779 2.617 ( 1.623 -0.259 5.541) 5.779 2.735 ( -1.902 0.227 -4.570) 4.955 2.735 ( -1.902 0.227 4.570) 4.955 3.473 ( 2.394 -0.092 -2.943) 3.795 3.473 ( 2.394 -0.092 2.943) 3.795 3.528 ( -2.666 -0.085 -3.349) 4.282 3.528 ( -2.666 -0.085 3.349) 4.282 3.922 ( 1.065 -0.155 -0.908) 1.408 3.922 ( 1.065 -0.155 0.908) 1.408 4.074 ( 1.060 0.030 -0.357) 1.119 4.074 ( 1.060 0.030 0.357) 1.119 4.528 ( 2.961 -0.321 -8.311) 8.828 4.528 ( 2.961 -0.321 8.311) 8.828 4.653 ( -4.559 0.225 -8.202) 9.386 4.653 ( -4.559 0.225 8.202) 9.386 5.404 ( -0.821 0.381 -2.784) 2.927 5.404 ( -0.821 0.381 2.784) 2.927 ======================= Grid point 587 (170/196) ======================= q-point: (-0.62 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -3.958 -0.687 -2.894) 4.951 1.452 ( -3.957 -0.687 2.894) 4.951 2.129 ( -10.030 0.109 -4.164) 10.860 2.129 ( -10.030 0.109 4.164) 10.860 2.313 ( 6.391 -0.228 -8.523) 10.655 2.313 ( 6.391 -0.228 8.523) 10.655 2.637 ( -0.403 0.271 -2.961) 3.001 2.637 ( -0.403 0.271 2.961) 3.001 2.719 ( 0.794 -0.210 -2.017) 2.178 2.719 ( 0.794 -0.210 2.017) 2.178 3.479 ( -1.635 0.072 -3.706) 4.052 3.479 ( -1.635 0.072 3.706) 4.052 3.535 ( 3.241 0.130 -4.424) 5.486 3.535 ( 3.241 0.130 4.424) 5.486 3.937 ( 0.512 0.298 -0.569) 0.822 3.937 ( 0.512 0.298 0.569) 0.822 4.075 ( -0.978 0.061 -0.707) 1.209 4.075 ( -0.978 0.061 0.707) 1.209 4.553 ( -2.564 0.382 -8.284) 8.680 4.553 ( -2.564 0.382 8.284) 8.680 4.632 ( 4.515 -0.405 -7.722) 8.954 4.632 ( 4.515 -0.405 7.722) 8.954 5.373 ( -2.363 -0.499 -1.664) 2.933 5.373 ( -2.363 -0.499 1.664) 2.933 ======================= Grid point 589 (171/196) ======================= q-point: (-0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -6.397 -1.763 -7.242) 9.823 1.357 ( -6.397 -1.763 7.242) 9.823 1.924 ( -10.528 0.133 -1.516) 10.638 1.924 ( -10.528 0.133 1.516) 10.638 2.385 ( 0.580 -0.235 -8.646) 8.668 2.385 ( 0.580 -0.235 8.646) 8.668 2.630 ( 0.013 0.180 -9.676) 9.678 2.630 ( 0.013 0.180 9.676) 9.678 2.736 ( 0.172 -0.493 -4.111) 4.144 2.736 ( 0.172 -0.493 4.111) 4.144 3.440 ( -2.391 0.445 -3.478) 4.244 3.440 ( -2.391 0.445 3.478) 4.244 3.613 ( 4.915 0.178 -4.081) 6.391 3.613 ( 4.915 0.178 4.081) 6.391 3.920 ( -2.442 0.919 -1.582) 3.051 3.920 ( -2.442 0.919 1.582) 3.051 4.045 ( -1.843 0.057 -0.582) 1.933 4.045 ( -1.843 0.057 0.582) 1.933 4.540 ( 2.754 0.574 -8.223) 8.690 4.540 ( 2.754 0.574 8.223) 8.690 4.734 ( 5.230 -0.228 -8.327) 9.836 4.734 ( 5.230 -0.228 8.327) 9.836 5.319 ( -3.898 -1.910 -5.522) 7.024 5.319 ( -3.898 -1.910 5.522) 7.024 ======================= Grid point 591 (172/196) ======================= q-point: (-0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -7.728 -1.688 -10.831) 13.412 1.231 ( -7.728 -1.688 10.831) 13.412 1.733 ( -9.049 0.368 -8.758) 12.599 1.733 ( -9.049 0.368 8.758) 12.599 2.368 ( -1.576 -0.202 -4.848) 5.102 2.368 ( -1.576 -0.202 4.848) 5.102 2.584 ( -6.191 -0.818 -10.560) 12.269 2.584 ( -6.191 -0.818 10.560) 12.269 2.743 ( 0.919 -0.070 -1.591) 1.839 2.743 ( 0.919 -0.070 1.591) 1.839 3.379 ( -3.439 0.750 -4.409) 5.642 3.379 ( -3.439 0.750 4.409) 5.642 3.717 ( 5.007 -0.197 -3.041) 5.862 3.717 ( 5.007 -0.197 3.041) 5.862 3.836 ( -4.622 1.079 -3.850) 6.112 3.836 ( -4.622 1.079 3.850) 6.112 4.010 ( -1.543 -0.021 -0.841) 1.758 4.010 ( -1.543 -0.021 0.841) 1.758 4.656 ( 9.056 1.254 -4.798) 10.325 4.656 ( 9.056 1.254 4.798) 10.325 4.831 ( 4.976 0.442 -7.377) 8.909 4.831 ( 4.976 0.442 7.377) 8.909 5.245 ( -5.379 -3.687 -7.631) 10.038 5.245 ( -5.379 -3.687 7.631) 10.038 ======================= Grid point 593 (173/196) ======================= q-point: (-0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -8.606 -0.485 -12.647) 15.306 1.080 ( -8.606 -0.485 12.647) 15.306 1.571 ( -7.600 0.801 -15.002) 16.836 1.571 ( -7.600 0.801 15.002) 16.836 2.328 ( -5.271 -0.712 -5.228) 7.458 2.328 ( -5.271 -0.712 5.228) 7.458 2.422 ( -7.610 -0.579 -7.058) 10.395 2.422 ( -7.610 -0.579 7.058) 10.395 2.772 ( 1.977 -0.115 -6.505) 6.800 2.772 ( 1.977 -0.115 6.505) 6.800 3.305 ( -3.866 0.317 -6.862) 7.882 3.305 ( -3.866 0.317 6.862) 7.882 3.675 ( -7.104 0.407 -2.446) 7.524 3.675 ( -7.104 0.407 2.446) 7.524 3.850 ( 3.430 0.063 -3.055) 4.594 3.850 ( 3.430 0.063 3.055) 4.594 4.004 ( 1.731 -0.032 -2.361) 2.927 4.004 ( 1.731 -0.032 2.361) 2.927 4.820 ( 6.141 0.982 -2.306) 6.633 4.820 ( 6.141 0.982 2.306) 6.633 4.922 ( 5.476 1.911 -5.004) 7.660 4.922 ( 5.476 1.911 5.004) 7.660 5.177 ( -2.894 -4.939 -6.667) 8.787 5.177 ( -2.894 -4.939 6.667) 8.787 ======================= Grid point 595 (174/196) ======================= q-point: (-0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -8.081 0.948 -13.298) 15.589 0.914 ( -8.081 0.948 13.298) 15.589 1.419 ( -7.996 1.151 -17.955) 19.689 1.419 ( -7.996 1.151 17.955) 19.689 2.114 ( -12.798 -0.409 -16.877) 21.185 2.114 ( -12.798 -0.409 16.877) 21.185 2.400 ( 1.560 -0.564 -3.411) 3.793 2.400 ( 1.560 -0.564 3.411) 3.793 2.826 ( 3.536 -0.650 -7.446) 8.269 2.826 ( 3.536 -0.650 7.446) 8.269 3.221 ( -4.996 -0.344 -9.167) 10.446 3.221 ( -4.996 -0.344 9.167) 10.446 3.531 ( -7.051 0.326 -3.208) 7.753 3.531 ( -7.051 0.326 3.208) 7.753 3.877 ( -0.037 -0.386 -6.365) 6.376 3.877 ( -0.037 -0.386 6.365) 6.376 4.072 ( 4.057 0.337 -5.856) 7.132 4.072 ( 4.057 0.337 5.856) 7.132 4.804 ( -6.257 -1.426 -3.243) 7.190 4.804 ( -6.257 -1.426 3.243) 7.190 5.035 ( 6.104 0.328 -1.828) 6.380 5.035 ( 6.104 0.328 1.828) 6.380 5.232 ( 5.740 -0.886 -5.134) 7.752 5.232 ( 5.740 -0.886 5.134) 7.752 ======================= Grid point 597 (175/196) ======================= q-point: (-0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -4.816 1.796 -14.772) 15.640 0.776 ( -4.816 1.796 14.772) 15.640 1.249 ( -8.190 1.202 -18.389) 20.167 1.249 ( -8.190 1.202 18.389) 20.167 1.919 ( -6.774 0.181 -23.569) 24.524 1.919 ( -6.774 0.181 23.569) 24.524 2.442 ( 1.947 -0.556 -5.759) 6.105 2.442 ( 1.947 -0.556 5.759) 6.105 2.914 ( 4.650 -1.488 -5.918) 7.672 2.914 ( 4.650 -1.488 5.918) 7.672 3.122 ( -5.023 -0.456 -9.720) 10.951 3.122 ( -5.023 -0.456 9.720) 10.951 3.414 ( -4.795 -0.319 -3.759) 6.101 3.414 ( -4.795 -0.319 3.759) 6.101 3.876 ( -0.112 -0.382 -6.705) 6.717 3.876 ( -0.112 -0.382 6.705) 6.717 4.122 ( 1.117 0.437 -5.020) 5.161 4.122 ( 1.117 0.437 5.020) 5.161 4.679 ( -6.299 -2.447 -0.098) 6.759 4.679 ( -6.299 -2.447 0.098) 6.759 5.134 ( 3.640 -1.243 -1.883) 4.282 5.134 ( 3.640 -1.243 1.883) 4.282 5.342 ( 4.907 2.237 -6.456) 8.412 5.342 ( 4.907 2.237 6.456) 8.412 ======================= Grid point 599 (176/196) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 1.731 -16.649) 16.739 0.719 ( 0.000 1.731 16.649) 16.739 1.148 ( 0.000 1.087 -19.191) 19.222 1.148 ( 0.000 1.087 19.191) 19.222 1.854 ( 0.000 0.402 -26.506) 26.510 1.854 ( 0.000 0.402 26.506) 26.510 2.465 ( -0.000 -0.346 -6.383) 6.393 2.465 ( -0.000 -0.346 6.383) 6.393 2.987 ( -0.000 -2.236 -4.961) 5.442 2.987 ( -0.000 -2.236 4.961) 5.442 3.062 ( -0.000 -0.002 -10.137) 10.137 3.062 ( -0.000 -0.002 10.137) 10.137 3.367 ( -0.000 -0.732 -3.930) 3.998 3.367 ( -0.000 -0.732 3.930) 3.998 3.878 ( -0.000 -0.262 -6.603) 6.608 3.878 ( -0.000 -0.262 6.603) 6.608 4.124 ( 0.000 0.356 -3.952) 3.968 4.124 ( 0.000 0.356 3.952) 3.968 4.628 ( -0.000 -2.198 -2.805) 3.564 4.628 ( -0.000 -2.198 2.805) 3.564 5.180 ( -0.000 -1.541 -0.938) 1.804 5.180 ( -0.000 -1.541 0.938) 1.804 5.375 ( 0.000 2.709 -6.801) 7.320 5.375 ( 0.000 2.709 6.801) 7.320 ======================= Grid point 609 (177/196) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.110 0.000 -1.411) 1.415 1.492 ( 0.110 0.000 1.411) 1.415 2.124 ( 9.880 0.000 -4.744) 10.960 2.124 ( 9.880 0.000 4.744) 10.960 2.327 ( -6.927 -0.000 -8.177) 10.716 2.327 ( -6.927 -0.000 8.177) 10.716 2.616 ( 1.701 0.000 -5.663) 5.913 2.616 ( 1.701 0.000 5.663) 5.913 2.736 ( -1.956 -0.000 -4.678) 5.070 2.736 ( -1.956 -0.000 4.678) 5.070 3.472 ( 2.453 0.000 -2.885) 3.787 3.472 ( 2.453 0.000 2.885) 3.787 3.527 ( -2.627 -0.000 -3.259) 4.186 3.527 ( -2.627 -0.000 3.259) 4.186 3.921 ( 1.162 0.000 -0.866) 1.449 3.921 ( 1.162 0.000 0.866) 1.449 4.075 ( 1.073 0.000 -0.353) 1.129 4.075 ( 1.073 0.000 0.353) 1.129 4.526 ( 2.967 0.000 -8.296) 8.810 4.526 ( 2.967 0.000 8.296) 8.810 4.655 ( -4.544 -0.000 -8.216) 9.389 4.655 ( -4.544 -0.000 8.216) 9.389 5.406 ( -1.041 -0.000 -2.859) 3.043 5.406 ( -1.041 -0.000 2.859) 3.043 ======================= Grid point 611 (178/196) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -4.435 -0.255 -3.076) 5.404 1.447 ( -4.435 -0.255 3.076) 5.404 2.130 ( -10.054 0.042 -4.047) 10.838 2.130 ( -10.054 0.042 4.047) 10.838 2.312 ( 6.341 -0.085 -8.589) 10.677 2.312 ( 6.341 -0.085 8.589) 10.677 2.639 ( -0.202 0.091 -2.411) 2.421 2.639 ( -0.202 0.091 2.411) 2.421 2.717 ( 0.575 -0.068 -1.374) 1.491 2.717 ( 0.575 -0.068 1.374) 1.491 3.479 ( -1.544 0.023 -3.794) 4.096 3.479 ( -1.544 0.023 3.794) 4.096 3.536 ( 3.320 0.047 -4.532) 5.618 3.536 ( 3.320 0.047 4.532) 5.618 3.940 ( 0.757 0.111 -0.253) 0.805 3.940 ( 0.757 0.111 0.253) 0.805 4.075 ( -0.979 0.028 -0.787) 1.257 4.075 ( -0.979 0.028 0.787) 1.257 4.556 ( -2.437 0.133 -8.201) 8.557 4.556 ( -2.437 0.133 8.201) 8.557 4.629 ( 4.437 -0.150 -7.576) 8.781 4.629 ( 4.437 -0.150 7.576) 8.781 5.369 ( -2.801 -0.178 -1.505) 3.185 5.369 ( -2.801 -0.178 1.505) 3.185 ======================= Grid point 613 (179/196) ======================= q-point: (-0.62 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -6.554 -1.006 -7.548) 10.047 1.341 ( -6.554 -1.006 7.548) 10.047 1.926 ( -10.483 0.081 -1.592) 10.603 1.926 ( -10.483 0.081 1.592) 10.603 2.383 ( 0.669 -0.137 -8.753) 8.780 2.383 ( 0.669 -0.137 8.753) 8.780 2.632 ( -0.375 0.088 -9.820) 9.828 2.632 ( -0.375 0.088 9.820) 9.828 2.731 ( 0.248 -0.273 -4.253) 4.269 2.731 ( 0.248 -0.273 4.253) 4.269 3.444 ( -2.211 0.236 -3.721) 4.335 3.444 ( -2.211 0.236 3.721) 4.335 3.615 ( 4.806 0.095 -4.196) 6.381 3.615 ( 4.806 0.095 4.196) 6.381 3.929 ( -2.303 0.556 -1.487) 2.798 3.929 ( -2.303 0.556 1.487) 2.798 4.045 ( -1.856 0.029 -0.547) 1.935 4.045 ( -1.856 0.029 0.547) 1.935 4.546 ( 2.906 0.333 -8.184) 8.691 4.546 ( 2.906 0.333 8.184) 8.691 4.731 ( 5.439 -0.150 -8.278) 9.906 4.731 ( 5.439 -0.150 8.278) 9.906 5.302 ( -4.527 -1.078 -5.236) 7.005 5.302 ( -4.527 -1.078 5.236) 7.005 ======================= Grid point 615 (180/196) ======================= q-point: (-0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -7.246 -1.202 -11.057) 13.274 1.214 ( -7.246 -1.202 11.057) 13.274 1.737 ( -8.872 0.270 -8.803) 12.501 1.737 ( -8.872 0.270 8.803) 12.501 2.366 ( -1.653 -0.145 -4.981) 5.250 2.366 ( -1.653 -0.145 4.981) 5.250 2.576 ( -6.471 -0.582 -10.375) 12.241 2.576 ( -6.471 -0.582 10.375) 12.241 2.742 ( 1.092 -0.058 -1.765) 2.076 2.742 ( 1.092 -0.058 1.765) 2.076 3.386 ( -3.509 0.493 -4.752) 5.928 3.386 ( -3.509 0.493 4.752) 5.928 3.715 ( 4.768 -0.144 -2.973) 5.621 3.715 ( 4.768 -0.144 2.973) 5.621 3.848 ( -4.654 0.789 -3.804) 6.062 3.848 ( -4.654 0.789 3.804) 6.062 4.009 ( -1.636 -0.038 -0.713) 1.785 4.009 ( -1.636 -0.038 0.713) 1.785 4.669 ( 9.428 0.966 -4.288) 10.402 4.669 ( 9.428 0.966 4.288) 10.402 4.836 ( 5.595 0.352 -7.266) 9.177 4.836 ( 5.595 0.352 7.266) 9.177 5.207 ( -6.305 -2.697 -7.016) 9.811 5.207 ( -6.305 -2.697 7.016) 9.811 ======================= Grid point 617 (181/196) ======================= q-point: (-0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -7.739 -0.379 -12.488) 14.696 1.074 ( -7.739 -0.379 12.488) 14.696 1.580 ( -7.337 0.696 -14.979) 16.694 1.580 ( -7.337 0.696 14.979) 16.694 2.320 ( -5.765 -0.606 -5.727) 8.149 2.320 ( -5.765 -0.606 5.727) 8.149 2.416 ( -7.035 -0.465 -6.524) 9.606 2.416 ( -7.035 -0.465 6.524) 9.606 2.770 ( 1.794 -0.097 -6.540) 6.782 2.770 ( 1.794 -0.097 6.540) 6.782 3.308 ( -4.279 0.221 -7.166) 8.349 3.308 ( -4.279 0.221 7.166) 8.349 3.679 ( -7.019 0.234 -2.395) 7.420 3.679 ( -7.019 0.234 2.395) 7.420 3.851 ( 2.983 0.070 -3.296) 4.446 3.851 ( 2.983 0.070 3.296) 4.446 4.004 ( 1.902 -0.030 -2.445) 3.098 4.004 ( 1.902 -0.030 2.445) 3.098 4.830 ( 5.007 0.715 -1.680) 5.329 4.830 ( 5.007 0.715 1.680) 5.329 4.947 ( 6.117 2.329 -4.675) 8.043 4.947 ( 6.117 2.329 4.675) 8.043 5.121 ( -2.302 -4.608 -5.266) 7.366 5.121 ( -2.302 -4.608 5.266) 7.366 ======================= Grid point 619 (182/196) ======================= q-point: (-0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -7.241 1.007 -12.478) 14.462 0.925 ( -7.241 1.007 12.478) 14.462 1.432 ( -7.832 1.150 -17.749) 19.434 1.432 ( -7.832 1.150 17.749) 19.434 2.109 ( -12.462 -0.502 -16.562) 20.733 2.109 ( -12.462 -0.502 16.562) 20.733 2.394 ( 1.452 -0.468 -3.191) 3.537 2.394 ( 1.452 -0.468 3.191) 3.537 2.818 ( 3.125 -0.582 -7.475) 8.123 2.818 ( 3.125 -0.582 7.475) 8.123 3.217 ( -5.240 -0.308 -9.368) 10.739 3.217 ( -5.240 -0.308 9.368) 10.739 3.534 ( -7.363 0.092 -3.248) 8.048 3.534 ( -7.363 0.092 3.248) 8.048 3.873 ( -0.138 -0.349 -6.360) 6.371 3.873 ( -0.138 -0.349 6.360) 6.371 4.076 ( 4.218 0.305 -5.722) 7.115 4.076 ( 4.218 0.305 5.722) 7.115 4.786 ( -7.592 -1.536 -3.403) 8.460 4.786 ( -7.592 -1.536 3.403) 8.460 5.034 ( 4.573 -0.398 -3.363) 5.690 5.034 ( 4.573 -0.398 3.363) 5.690 5.230 ( 8.893 0.393 -5.099) 10.259 5.230 ( 8.893 0.393 5.099) 10.259 ======================= Grid point 621 (183/196) ======================= q-point: (-0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -4.318 2.206 -13.345) 14.199 0.800 ( -4.318 2.206 13.345) 14.199 1.264 ( -8.163 1.320 -18.008) 19.816 1.264 ( -8.163 1.320 18.008) 19.816 1.920 ( -6.545 0.008 -23.141) 24.049 1.920 ( -6.545 0.008 23.141) 24.049 2.435 ( 1.977 -0.623 -5.399) 5.784 2.435 ( 1.977 -0.623 5.399) 5.784 2.897 ( 4.048 -1.462 -6.191) 7.540 2.897 ( 4.048 -1.462 6.191) 7.540 3.117 ( -4.862 -0.380 -9.987) 11.115 3.117 ( -4.862 -0.380 9.987) 11.115 3.410 ( -5.276 -0.488 -3.731) 6.480 3.410 ( -5.276 -0.488 3.731) 6.480 3.871 ( -0.121 -0.466 -6.740) 6.757 3.871 ( -0.121 -0.466 6.740) 6.757 4.127 ( 1.105 0.445 -4.921) 5.063 4.127 ( 1.105 0.445 4.921) 5.063 4.651 ( -6.281 -2.394 -0.884) 6.780 4.651 ( -6.281 -2.394 0.884) 6.780 5.118 ( 3.128 -1.418 -3.776) 5.104 5.118 ( 3.128 -1.418 3.776) 5.104 5.372 ( 6.008 2.852 -6.886) 9.573 5.372 ( 6.008 2.852 6.886) 9.573 ======================= Grid point 623 (184/196) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.000 2.497 -15.107) 15.312 0.744 ( 0.000 2.497 15.107) 15.312 1.163 ( 0.000 1.306 -18.805) 18.850 1.163 ( 0.000 1.306 18.805) 18.850 1.858 ( 0.000 0.300 -26.036) 26.037 1.858 ( 0.000 0.300 26.036) 26.037 2.460 ( -0.000 -0.561 -5.920) 5.946 2.460 ( -0.000 -0.561 5.920) 5.946 2.960 ( -0.000 -2.362 -5.210) 5.721 2.960 ( -0.000 -2.362 5.210) 5.721 3.062 ( -0.000 -0.005 -10.136) 10.136 3.062 ( -0.000 -0.005 10.136) 10.136 3.357 ( -0.000 -0.877 -3.921) 4.018 3.357 ( -0.000 -0.877 3.921) 4.018 3.873 ( -0.000 -0.453 -6.691) 6.706 3.873 ( -0.000 -0.453 6.691) 6.706 4.129 ( 0.000 0.421 -3.976) 3.999 4.129 ( 0.000 0.421 3.976) 3.999 4.601 ( -0.000 -2.275 -3.653) 4.304 4.601 ( -0.000 -2.275 3.653) 4.304 5.160 ( -0.000 -1.803 -3.158) 3.636 5.160 ( -0.000 -1.803 3.158) 3.636 5.412 ( 0.000 3.505 -7.580) 8.351 5.412 ( 0.000 3.505 7.580) 8.351 ======================= Grid point 637 (185/196) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -6.610 -0.000 -7.660) 10.117 1.335 ( -6.610 -0.000 7.660) 10.117 1.926 ( -10.467 -0.000 -1.620) 10.591 1.926 ( -10.467 -0.000 1.620) 10.591 2.382 ( 0.700 0.000 -8.792) 8.819 2.382 ( 0.700 0.000 8.792) 8.819 2.632 ( -0.518 -0.000 -9.870) 9.884 2.632 ( -0.518 -0.000 9.870) 9.884 2.730 ( 0.278 0.000 -4.303) 4.311 2.730 ( 0.278 0.000 4.303) 4.311 3.445 ( -2.148 -0.000 -3.809) 4.373 3.445 ( -2.148 -0.000 3.809) 4.373 3.615 ( 4.764 0.000 -4.232) 6.372 3.615 ( 4.764 0.000 4.232) 6.372 3.932 ( -2.249 -0.000 -1.452) 2.677 3.932 ( -2.249 -0.000 1.452) 2.677 4.045 ( -1.867 -0.000 -0.523) 1.938 4.045 ( -1.867 -0.000 0.523) 1.938 4.547 ( 2.969 0.000 -8.163) 8.686 4.547 ( 2.969 0.000 8.163) 8.686 4.731 ( 5.514 0.000 -8.252) 9.925 4.731 ( 5.514 0.000 8.252) 9.925 5.295 ( -4.757 -0.000 -5.129) 6.996 5.295 ( -4.757 -0.000 5.129) 6.996 ======================= Grid point 641 (186/196) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -6.968 -0.435 -11.181) 13.182 1.204 ( -6.968 -0.435 11.181) 13.182 1.739 ( -8.770 0.100 -8.832) 12.447 1.739 ( -8.770 0.100 8.832) 12.447 2.365 ( -1.691 -0.053 -5.055) 5.331 2.365 ( -1.691 -0.053 5.055) 5.331 2.571 ( -6.621 -0.211 -10.263) 12.215 2.571 ( -6.621 -0.211 10.263) 12.215 2.742 ( 1.181 -0.022 -1.872) 2.213 2.742 ( 1.181 -0.022 1.872) 2.213 3.390 ( -3.549 0.170 -4.952) 6.094 3.390 ( -3.549 0.170 4.952) 6.094 3.714 ( 4.650 -0.053 -2.921) 5.492 3.714 ( 4.650 -0.053 2.921) 5.492 3.854 ( -4.713 0.290 -3.790) 6.055 3.854 ( -4.713 0.290 3.790) 6.055 4.009 ( -1.685 -0.019 -0.608) 1.792 4.009 ( -1.685 -0.019 0.608) 1.792 4.677 ( 9.639 0.367 -3.878) 10.397 4.677 ( 9.639 0.367 3.878) 10.397 4.839 ( 6.047 0.138 -7.114) 9.338 4.839 ( 6.047 0.138 7.114) 9.338 5.185 ( -6.912 -0.996 -6.639) 9.635 5.185 ( -6.912 -0.996 6.639) 9.635 ======================= Grid point 643 (187/196) ======================= q-point: (-0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -7.105 -0.204 -12.337) 14.238 1.071 ( -7.105 -0.204 12.337) 14.238 1.586 ( -7.137 0.407 -14.970) 16.589 1.586 ( -7.137 0.407 14.970) 16.589 2.315 ( -6.142 -0.351 -6.097) 8.661 2.315 ( -6.142 -0.351 6.097) 8.661 2.412 ( -6.614 -0.257 -6.126) 9.019 2.412 ( -6.614 -0.257 6.126) 9.019 2.770 ( 1.673 -0.056 -6.582) 6.791 2.770 ( 1.673 -0.056 6.582) 6.791 3.310 ( -4.558 0.111 -7.385) 8.679 3.310 ( -4.558 0.111 7.385) 8.679 3.681 ( -6.989 0.093 -2.450) 7.406 3.681 ( -6.989 0.093 2.450) 7.406 3.852 ( 2.653 0.043 -3.460) 4.360 3.852 ( 2.653 0.043 3.460) 4.360 4.004 ( 2.031 -0.018 -2.492) 3.215 4.004 ( 2.031 -0.018 2.492) 3.215 4.836 ( 4.223 0.370 -1.073) 4.373 4.836 ( 4.223 0.370 1.073) 4.373 4.975 ( 6.619 2.393 -4.246) 8.220 4.975 ( 6.619 2.393 4.246) 8.220 5.072 ( -1.910 -3.595 -3.949) 5.672 5.072 ( -1.910 -3.595 3.949) 5.672 ======================= Grid point 645 (188/196) ======================= q-point: (-0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -6.482 0.784 -11.720) 13.416 0.936 ( -6.482 0.784 11.720) 13.416 1.444 ( -7.687 0.860 -17.576) 19.202 1.444 ( -7.687 0.860 17.576) 19.202 2.103 ( -12.228 -0.435 -16.336) 20.410 2.103 ( -12.228 -0.435 16.336) 20.410 2.389 ( 1.354 -0.296 -3.012) 3.316 2.389 ( 1.354 -0.296 3.012) 3.316 2.813 ( 2.805 -0.398 -7.487) 8.005 2.813 ( 2.805 -0.398 7.487) 8.005 3.214 ( -5.411 -0.214 -9.525) 10.957 3.214 ( -5.411 -0.214 9.525) 10.957 3.534 ( -7.629 -0.048 -3.377) 8.343 3.534 ( -7.629 -0.048 3.377) 8.343 3.869 ( -0.237 -0.243 -6.359) 6.368 3.869 ( -0.237 -0.243 6.359) 6.368 4.079 ( 4.344 0.209 -5.614) 7.102 4.079 ( 4.344 0.209 5.614) 7.102 4.770 ( -8.551 -1.199 -3.279) 9.236 4.770 ( -8.551 -1.199 3.279) 9.236 5.029 ( 3.819 -0.489 -4.511) 5.931 5.029 ( 3.819 -0.489 4.511) 5.931 5.238 ( 10.937 0.777 -5.231) 12.149 5.238 ( 10.937 0.777 5.231) 12.149 ======================= Grid point 647 (189/196) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -3.743 2.059 -11.883) 12.628 0.826 ( -3.743 2.059 11.883) 12.628 1.278 ( -8.171 1.136 -17.633) 19.467 1.278 ( -8.171 1.136 17.633) 19.467 1.919 ( -6.356 -0.157 -22.789) 23.660 1.919 ( -6.356 -0.157 22.789) 23.660 2.428 ( 1.926 -0.531 -5.069) 5.449 2.428 ( 1.926 -0.531 5.069) 5.449 2.881 ( 3.555 -1.121 -6.246) 7.274 2.881 ( 3.555 -1.121 6.246) 7.274 3.113 ( -4.692 -0.264 -10.152) 11.187 3.113 ( -4.692 -0.264 10.152) 11.187 3.404 ( -5.624 -0.496 -3.757) 6.781 3.404 ( -5.624 -0.496 3.757) 6.781 3.866 ( -0.188 -0.436 -6.738) 6.755 3.866 ( -0.188 -0.436 6.738) 6.755 4.132 ( 1.095 0.354 -4.835) 4.970 4.132 ( 1.095 0.354 4.835) 4.970 4.626 ( -6.086 -1.823 -1.681) 6.572 4.626 ( -6.086 -1.823 1.681) 6.572 5.103 ( 2.901 -1.045 -4.806) 5.710 5.103 ( 2.901 -1.045 4.806) 5.710 5.404 ( 6.688 2.474 -6.959) 9.964 5.404 ( 6.688 2.474 6.959) 9.964 ======================= Grid point 649 (190/196) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 2.749 -13.360) 13.640 0.775 ( 0.000 2.749 13.360) 13.640 1.178 ( 0.000 1.226 -18.404) 18.444 1.178 ( 0.000 1.226 18.404) 18.444 1.860 ( 0.000 0.075 -25.585) 25.585 1.860 ( 0.000 0.075 25.585) 25.585 2.453 ( -0.000 -0.648 -5.476) 5.514 2.453 ( -0.000 -0.648 5.476) 5.514 2.934 ( -0.000 -1.931 -5.250) 5.594 2.934 ( -0.000 -1.931 5.250) 5.594 3.062 ( -0.000 -0.007 -10.134) 10.134 3.062 ( -0.000 -0.007 10.134) 10.134 3.347 ( -0.000 -0.821 -3.914) 3.999 3.347 ( -0.000 -0.821 3.914) 3.999 3.868 ( -0.000 -0.549 -6.735) 6.758 3.868 ( -0.000 -0.549 6.735) 6.758 4.133 ( 0.000 0.388 -4.001) 4.020 4.133 ( 0.000 0.388 4.001) 4.020 4.577 ( -0.000 -1.814 -4.440) 4.796 4.577 ( -0.000 -1.814 4.440) 4.796 5.140 ( -0.000 -1.442 -4.488) 4.714 5.140 ( -0.000 -1.442 4.488) 4.714 5.453 ( 0.000 3.282 -7.735) 8.403 5.453 ( 0.000 3.282 7.735) 8.403 ======================= Grid point 667 (191/196) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -6.872 -0.000 -12.275) 14.068 1.070 ( -6.872 -0.000 12.275) 14.068 1.589 ( -7.063 -0.000 -14.968) 16.551 1.589 ( -7.063 -0.000 14.968) 16.551 2.313 ( -6.283 -0.000 -6.234) 8.851 2.313 ( -6.283 -0.000 6.234) 8.851 2.410 ( -6.459 -0.000 -5.979) 8.802 2.410 ( -6.459 -0.000 5.979) 8.802 2.769 ( 1.632 0.000 -6.601) 6.799 2.769 ( 1.632 0.000 6.601) 6.799 3.311 ( -4.656 -0.000 -7.465) 8.797 3.311 ( -4.656 -0.000 7.465) 8.797 3.681 ( -6.984 -0.000 -2.488) 7.414 3.681 ( -6.984 -0.000 2.488) 7.414 3.852 ( 2.531 0.000 -3.518) 4.334 3.852 ( 2.531 0.000 3.518) 4.334 4.004 ( 2.080 0.000 -2.506) 3.257 4.004 ( 2.080 0.000 2.506) 3.257 4.838 ( 3.948 0.000 -0.762) 4.021 4.838 ( 3.948 0.000 0.762) 4.021 4.994 ( 7.940 0.000 -3.344) 8.616 4.994 ( 7.940 0.000 3.344) 8.616 5.046 ( -2.909 -0.000 -1.645) 3.341 5.046 ( -2.909 -0.000 1.645) 3.341 ======================= Grid point 671 (192/196) ======================= q-point: (-0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -6.030 0.297 -11.258) 12.775 0.943 ( -6.030 0.297 11.258) 12.775 1.451 ( -7.600 0.320 -17.479) 19.063 1.451 ( -7.600 0.320 17.479) 19.063 2.099 ( -12.115 -0.175 -16.227) 20.252 2.099 ( -12.115 -0.175 16.227) 20.252 2.387 ( 1.297 -0.099 -2.913) 3.190 2.387 ( 1.297 -0.099 2.913) 3.190 2.809 ( 2.631 -0.141 -7.491) 7.941 2.809 ( 2.631 -0.141 7.491) 7.941 3.212 ( -5.497 -0.077 -9.609) 11.071 3.212 ( -5.497 -0.077 9.609) 11.071 3.533 ( -7.779 -0.039 -3.484) 8.524 3.533 ( -7.779 -0.039 3.484) 8.524 3.867 ( -0.299 -0.087 -6.358) 6.365 3.867 ( -0.299 -0.087 6.358) 6.365 4.080 ( 4.414 0.074 -5.555) 7.095 4.080 ( 4.414 0.074 5.555) 7.095 4.760 ( -9.010 -0.452 -3.116) 9.544 4.760 ( -9.010 -0.452 3.116) 9.544 5.025 ( 3.608 -0.191 -5.010) 6.177 5.025 ( 3.608 -0.191 5.010) 6.177 5.245 ( 11.827 0.351 -5.299) 12.965 5.245 ( 11.827 0.351 5.299) 12.965 ======================= Grid point 673 (193/196) ======================= q-point: (-0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -3.276 1.253 -10.773) 11.330 0.846 ( -3.276 1.253 10.773) 11.330 1.289 ( -8.199 0.661 -17.357) 19.208 1.289 ( -8.199 0.661 17.357) 19.208 1.917 ( -6.239 -0.163 -22.580) 23.427 1.917 ( -6.239 -0.163 22.580) 23.427 2.423 ( 1.848 -0.303 -4.832) 5.182 2.423 ( 1.848 -0.303 4.832) 5.182 2.871 ( 3.251 -0.599 -6.193) 7.020 2.871 ( 3.251 -0.599 6.193) 7.020 3.111 ( -4.568 -0.136 -10.232) 11.206 3.111 ( -4.568 -0.136 10.232) 11.206 3.399 ( -5.815 -0.311 -3.801) 6.954 3.399 ( -5.815 -0.311 3.801) 6.954 3.861 ( -0.263 -0.266 -6.718) 6.728 3.861 ( -0.263 -0.266 6.718) 6.728 4.135 ( 1.090 0.194 -4.779) 4.906 4.135 ( 1.090 0.194 4.779) 4.906 4.609 ( -5.864 -0.963 -2.224) 6.345 4.609 ( -5.864 -0.963 2.224) 6.345 5.094 ( 2.806 -0.519 -5.254) 5.979 5.094 ( 2.806 -0.519 5.254) 5.979 5.427 ( 7.050 1.405 -6.910) 9.971 5.427 ( 7.050 1.405 6.910) 9.971 ======================= Grid point 675 (194/196) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 2.180 -11.828) 12.027 0.805 ( 0.000 2.180 11.828) 12.027 1.190 ( 0.000 0.867 -18.078) 18.099 1.190 ( 0.000 0.867 18.078) 18.099 1.860 ( -0.000 -0.084 -25.262) 25.262 1.860 ( -0.000 -0.084 25.262) 25.262 2.446 ( -0.000 -0.517 -5.129) 5.155 2.446 ( -0.000 -0.517 5.129) 5.155 2.916 ( -0.000 -1.218 -5.127) 5.269 2.916 ( -0.000 -1.218 5.127) 5.269 3.062 ( -0.000 -0.007 -10.133) 10.133 3.062 ( -0.000 -0.007 10.133) 10.133 3.339 ( -0.000 -0.579 -3.909) 3.952 3.339 ( -0.000 -0.579 3.909) 3.952 3.861 ( -0.000 -0.454 -6.736) 6.751 3.861 ( -0.000 -0.454 6.736) 6.751 4.137 ( 0.000 0.271 -4.021) 4.030 4.137 ( 0.000 0.271 4.021) 4.030 4.560 ( -0.000 -1.114 -4.977) 5.100 4.560 ( -0.000 -1.114 4.977) 5.100 5.127 ( -0.000 -0.862 -5.116) 5.188 5.127 ( -0.000 -0.862 5.116) 5.188 5.486 ( 0.000 2.278 -7.638) 7.970 5.486 ( 0.000 2.278 7.638) 7.970 ======================= Grid point 697 (195/196) ======================= q-point: (-0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -3.095 -0.000 -10.356) 10.809 0.853 ( -3.095 -0.000 10.356) 10.809 1.293 ( -8.214 -0.000 -17.256) 19.111 1.293 ( -8.214 -0.000 17.256) 19.111 1.916 ( -6.201 -0.000 -22.515) 23.353 1.916 ( -6.201 -0.000 22.515) 23.353 2.421 ( 1.812 0.000 -4.745) 5.079 2.421 ( 1.812 0.000 4.745) 5.079 2.868 ( 3.150 0.000 -6.159) 6.918 2.868 ( 3.150 0.000 6.159) 6.918 3.110 ( -4.522 -0.000 -10.254) 11.207 3.110 ( -4.522 -0.000 10.254) 11.207 3.397 ( -5.874 -0.000 -3.821) 7.008 3.397 ( -5.874 -0.000 3.821) 7.008 3.860 ( -0.295 -0.000 -6.706) 6.713 3.860 ( -0.295 -0.000 6.706) 6.713 4.136 ( 1.089 0.000 -4.760) 4.883 4.136 ( 1.089 0.000 4.760) 4.883 4.603 ( -5.770 -0.000 -2.411) 6.253 4.603 ( -5.770 -0.000 2.411) 6.253 5.091 ( 2.780 0.000 -5.375) 6.051 5.091 ( 2.780 0.000 5.375) 6.051 5.436 ( 7.164 0.000 -6.879) 9.932 5.436 ( 7.164 0.000 6.879) 9.932 ======================= Grid point 701 (196/196) ======================= q-point: (-0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.000 0.833 -10.926) 10.958 0.823 ( 0.000 0.833 10.926) 10.958 1.197 ( 0.000 0.313 -17.897) 17.899 1.197 ( 0.000 0.313 17.897) 17.899 1.859 ( -0.000 -0.061 -25.103) 25.104 1.859 ( -0.000 -0.061 25.103) 25.104 2.441 ( -0.000 -0.196 -4.935) 4.939 2.441 ( -0.000 -0.196 4.935) 4.939 2.906 ( -0.000 -0.411 -5.000) 5.017 2.906 ( -0.000 -0.411 5.000) 5.017 3.062 ( -0.000 -0.003 -10.132) 10.132 3.062 ( -0.000 -0.003 10.132) 10.132 3.334 ( -0.000 -0.208 -3.908) 3.914 3.334 ( -0.000 -0.208 3.908) 3.914 3.858 ( -0.000 -0.176 -6.722) 6.724 3.858 ( -0.000 -0.176 6.722) 6.724 4.139 ( 0.000 0.097 -4.031) 4.032 4.139 ( 0.000 0.097 4.031) 4.032 4.551 ( -0.000 -0.369 -5.233) 5.246 4.551 ( -0.000 -0.369 5.233) 5.246 5.120 ( -0.000 -0.280 -5.354) 5.361 5.120 ( -0.000 -0.280 5.354) 5.361 5.504 ( 0.000 0.810 -7.532) 7.576 5.504 ( 0.000 0.810 7.532) 7.576 =================== 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 3/24336 10.0 95.520 17.509 113.216 0.000 0.000 0.000 3/24336 20.0 73.599 6.637 61.543 0.000 0.000 0.000 3/24336 30.0 46.446 3.902 35.868 0.000 0.000 0.000 3/24336 40.0 31.070 2.701 23.475 0.000 0.000 0.000 3/24336 50.0 22.697 2.059 17.065 0.000 0.000 0.000 3/24336 60.0 17.767 1.667 13.361 0.000 0.000 0.000 3/24336 70.0 14.600 1.405 10.997 0.000 0.000 0.000 3/24336 80.0 12.413 1.216 9.365 0.000 0.000 0.000 3/24336 90.0 10.814 1.074 8.171 0.000 0.000 0.000 3/24336 100.0 9.593 0.963 7.258 0.000 0.000 0.000 3/24336 110.0 8.629 0.873 6.535 0.000 0.000 0.000 3/24336 120.0 7.847 0.799 5.948 0.000 0.000 0.000 3/24336 130.0 7.200 0.737 5.461 0.000 0.000 0.000 3/24336 140.0 6.654 0.684 5.050 0.000 0.000 0.000 3/24336 150.0 6.187 0.638 4.698 0.000 0.000 0.000 3/24336 160.0 5.783 0.598 4.393 0.000 0.000 0.000 3/24336 170.0 5.430 0.562 4.126 0.000 0.000 0.000 3/24336 180.0 5.118 0.531 3.890 0.000 0.000 0.000 3/24336 190.0 4.841 0.503 3.680 0.000 0.000 0.000 3/24336 200.0 4.593 0.478 3.492 0.000 0.000 0.000 3/24336 210.0 4.369 0.455 3.323 0.000 0.000 0.000 3/24336 220.0 4.167 0.435 3.169 0.000 0.000 0.000 3/24336 230.0 3.982 0.416 3.029 0.000 0.000 0.000 3/24336 240.0 3.814 0.398 2.901 0.000 0.000 0.000 3/24336 250.0 3.659 0.382 2.784 0.000 0.000 0.000 3/24336 260.0 3.516 0.368 2.676 0.000 0.000 0.000 3/24336 270.0 3.385 0.354 2.576 0.000 0.000 0.000 3/24336 280.0 3.263 0.342 2.483 0.000 0.000 0.000 3/24336 290.0 3.149 0.330 2.397 0.000 0.000 0.000 3/24336 300.0 3.043 0.319 2.316 0.000 0.000 0.000 3/24336 310.0 2.944 0.309 2.241 0.000 0.000 0.000 3/24336 320.0 2.852 0.299 2.171 0.000 0.000 0.000 3/24336 330.0 2.765 0.290 2.104 0.000 0.000 0.000 3/24336 340.0 2.683 0.281 2.042 0.000 0.000 0.000 3/24336 350.0 2.606 0.273 1.984 0.000 0.000 0.000 3/24336 360.0 2.533 0.266 1.928 0.000 0.000 0.000 3/24336 370.0 2.464 0.259 1.876 0.000 0.000 0.000 3/24336 380.0 2.399 0.252 1.827 0.000 0.000 0.000 3/24336 390.0 2.338 0.245 1.780 0.000 0.000 0.000 3/24336 400.0 2.279 0.239 1.735 0.000 0.000 0.000 3/24336 410.0 2.223 0.233 1.693 0.000 0.000 0.000 3/24336 420.0 2.170 0.228 1.652 0.000 0.000 0.000 3/24336 430.0 2.120 0.223 1.614 0.000 0.000 0.000 3/24336 440.0 2.071 0.217 1.577 0.000 0.000 0.000 3/24336 450.0 2.025 0.213 1.542 0.000 0.000 0.000 3/24336 460.0 1.981 0.208 1.508 0.000 0.000 0.000 3/24336 470.0 1.939 0.204 1.476 0.000 0.000 0.000 3/24336 480.0 1.898 0.199 1.445 0.000 0.000 0.000 3/24336 490.0 1.860 0.195 1.416 0.000 0.000 0.000 3/24336 500.0 1.822 0.191 1.387 0.000 0.000 0.000 3/24336 510.0 1.787 0.188 1.360 0.000 0.000 0.000 3/24336 520.0 1.752 0.184 1.334 0.000 0.000 0.000 3/24336 530.0 1.719 0.181 1.309 0.000 0.000 0.000 3/24336 540.0 1.687 0.177 1.285 0.000 0.000 0.000 3/24336 550.0 1.657 0.174 1.261 0.000 0.000 0.000 3/24336 560.0 1.627 0.171 1.239 0.000 0.000 0.000 3/24336 570.0 1.599 0.168 1.217 0.000 0.000 0.000 3/24336 580.0 1.571 0.165 1.196 0.000 0.000 0.000 3/24336 590.0 1.544 0.162 1.176 0.000 0.000 0.000 3/24336 600.0 1.519 0.160 1.156 0.000 0.000 0.000 3/24336 610.0 1.494 0.157 1.137 0.000 0.000 0.000 3/24336 620.0 1.470 0.154 1.119 0.000 0.000 0.000 3/24336 630.0 1.446 0.152 1.101 0.000 0.000 0.000 3/24336 640.0 1.424 0.150 1.084 0.000 0.000 0.000 3/24336 650.0 1.402 0.147 1.067 0.000 0.000 0.000 3/24336 660.0 1.381 0.145 1.051 0.000 0.000 0.000 3/24336 670.0 1.360 0.143 1.035 0.000 0.000 0.000 3/24336 680.0 1.340 0.141 1.020 0.000 0.000 0.000 3/24336 690.0 1.321 0.139 1.005 0.000 0.000 0.000 3/24336 700.0 1.302 0.137 0.991 0.000 0.000 0.000 3/24336 710.0 1.283 0.135 0.977 0.000 0.000 0.000 3/24336 720.0 1.266 0.133 0.964 0.000 0.000 0.000 3/24336 730.0 1.248 0.131 0.950 0.000 0.000 0.000 3/24336 740.0 1.231 0.129 0.938 0.000 0.000 0.000 3/24336 750.0 1.215 0.128 0.925 0.000 0.000 0.000 3/24336 760.0 1.199 0.126 0.913 0.000 0.000 0.000 3/24336 770.0 1.183 0.124 0.901 0.000 0.000 0.000 3/24336 780.0 1.168 0.123 0.889 0.000 0.000 0.000 3/24336 790.0 1.154 0.121 0.878 0.000 0.000 0.000 3/24336 800.0 1.139 0.120 0.867 0.000 0.000 0.000 3/24336 810.0 1.125 0.118 0.857 0.000 0.000 0.000 3/24336 820.0 1.111 0.117 0.846 0.000 0.000 0.000 3/24336 830.0 1.098 0.115 0.836 0.000 0.000 0.000 3/24336 840.0 1.085 0.114 0.826 0.000 0.000 0.000 3/24336 850.0 1.072 0.113 0.816 0.000 0.000 0.000 3/24336 860.0 1.060 0.111 0.807 0.000 0.000 0.000 3/24336 870.0 1.048 0.110 0.798 0.000 0.000 0.000 3/24336 880.0 1.036 0.109 0.788 0.000 0.000 0.000 3/24336 890.0 1.024 0.108 0.780 0.000 0.000 0.000 3/24336 900.0 1.013 0.106 0.771 0.000 0.000 0.000 3/24336 910.0 1.002 0.105 0.763 0.000 0.000 0.000 3/24336 920.0 0.991 0.104 0.754 0.000 0.000 0.000 3/24336 930.0 0.980 0.103 0.746 0.000 0.000 0.000 3/24336 940.0 0.970 0.102 0.738 0.000 0.000 0.000 3/24336 950.0 0.959 0.101 0.730 0.000 0.000 0.000 3/24336 960.0 0.949 0.100 0.723 0.000 0.000 0.000 3/24336 970.0 0.940 0.099 0.715 0.000 0.000 0.000 3/24336 980.0 0.930 0.098 0.708 0.000 0.000 0.000 3/24336 990.0 0.921 0.097 0.701 0.000 0.000 0.000 3/24336 1000.0 0.911 0.096 0.694 0.000 0.000 0.000 3/24336 Thermal conductivity related properties were written into "kappa-m13136.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:43:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|