----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:58:49]------------------------- 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: [3 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: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.970316130000000 -6.666286669999999 0.000000000000000 b 1.970316130000000 6.666286669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.017392129999999 Atomic positions (fractional): *1 S 0.06527784826290 0.93472215173710 0.25000000000000 32.065 2 S 0.93472215173710 0.06527784826290 0.75000000000000 32.065 *3 S 0.36830739956171 0.63169260043829 0.06163440780005 32.065 4 S 0.36830739956171 0.63169260043829 0.43836559219995 32.065 5 S 0.63169260043829 0.36830739956171 0.56163440780005 32.065 6 S 0.63169260043829 0.36830739956171 0.93836559219995 32.065 *7 Cu 0.46808237868649 0.53191762131351 0.25000000000000 63.546 8 Cu 0.53191762131351 0.46808237868649 0.75000000000000 63.546 *9 Ba 0.25597980217678 0.74402019782322 0.75000000000000 137.327 10 Ba 0.74402019782322 0.25597980217678 0.25000000000000 137.327 *11 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 12 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.940632260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.332573339999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.017392129999999 Atomic positions (fractional): *1 S 0.50000000000000 0.43472215173710 0.25000000000000 32.065 > 1 2 S 0.00000000000000 0.06527784826290 0.75000000000000 32.065 > 2 *3 S 0.50000000000000 0.13169260043829 0.06163440780005 32.065 > 3 4 S 0.50000000000000 0.13169260043829 0.43836559219995 32.065 > 4 5 S 0.00000000000000 0.36830739956171 0.56163440780005 32.065 > 5 6 S 0.00000000000000 0.36830739956171 0.93836559219995 32.065 > 6 7 S 0.00000000000000 0.93472215173710 0.25000000000000 32.065 > 1 8 S 0.50000000000000 0.56527784826290 0.75000000000000 32.065 > 2 9 S 0.00000000000000 0.63169260043829 0.06163440780005 32.065 > 3 10 S 0.00000000000000 0.63169260043829 0.43836559219995 32.065 > 4 11 S 0.50000000000000 0.86830739956171 0.56163440780005 32.065 > 5 12 S 0.50000000000000 0.86830739956171 0.93836559219995 32.065 > 6 *13 Cu 0.50000000000000 0.03191762131351 0.25000000000000 63.546 > 7 14 Cu 0.00000000000000 0.46808237868649 0.75000000000000 63.546 > 8 15 Cu 0.00000000000000 0.53191762131351 0.25000000000000 63.546 > 7 16 Cu 0.50000000000000 0.96808237868649 0.75000000000000 63.546 > 8 *17 Ba 0.50000000000000 0.24402019782322 0.75000000000000 137.327 > 9 18 Ba 0.00000000000000 0.25597980217678 0.25000000000000 137.327 > 10 19 Ba 0.00000000000000 0.74402019782322 0.75000000000000 137.327 > 9 20 Ba 0.50000000000000 0.75597980217678 0.25000000000000 137.327 > 10 *21 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 11 22 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 12 23 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 > 11 24 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.821896779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.332573339999998 0.000000000000000 c 0.000000000000000 0.000000000000000 20.034784259999999 Atomic positions (fractional): *1 S 0.16666666666667 0.43472215173710 0.12500000000000 32.065 > 1 2 S 0.50000000000000 0.43472215173710 0.12500000000000 32.065 > 1 3 S 0.83333333333333 0.43472215173710 0.12500000000000 32.065 > 1 4 S 0.16666666666667 0.43472215173710 0.62500000000000 32.065 > 1 5 S 0.50000000000000 0.43472215173710 0.62500000000000 32.065 > 1 6 S 0.83333333333333 0.43472215173710 0.62500000000000 32.065 > 1 7 S 0.00000000000000 0.06527784826290 0.37500000000000 32.065 > 2 8 S 0.33333333333333 0.06527784826290 0.37500000000000 32.065 > 2 9 S 0.66666666666667 0.06527784826290 0.37500000000000 32.065 > 2 10 S 0.00000000000000 0.06527784826290 0.87500000000000 32.065 > 2 11 S 0.33333333333333 0.06527784826290 0.87500000000000 32.065 > 2 12 S 0.66666666666667 0.06527784826290 0.87500000000000 32.065 > 2 *13 S 0.16666666666667 0.13169260043829 0.03081720390003 32.065 > 3 14 S 0.50000000000000 0.13169260043829 0.03081720390003 32.065 > 3 15 S 0.83333333333333 0.13169260043829 0.03081720390003 32.065 > 3 16 S 0.16666666666667 0.13169260043829 0.53081720390003 32.065 > 3 17 S 0.50000000000000 0.13169260043829 0.53081720390003 32.065 > 3 18 S 0.83333333333333 0.13169260043829 0.53081720390003 32.065 > 3 19 S 0.16666666666667 0.13169260043829 0.21918279609997 32.065 > 4 20 S 0.50000000000000 0.13169260043829 0.21918279609997 32.065 > 4 21 S 0.83333333333333 0.13169260043829 0.21918279609997 32.065 > 4 22 S 0.16666666666667 0.13169260043829 0.71918279609997 32.065 > 4 23 S 0.50000000000000 0.13169260043829 0.71918279609997 32.065 > 4 24 S 0.83333333333333 0.13169260043829 0.71918279609997 32.065 > 4 25 S 0.00000000000000 0.36830739956171 0.28081720390003 32.065 > 5 26 S 0.33333333333333 0.36830739956171 0.28081720390003 32.065 > 5 27 S 0.66666666666667 0.36830739956171 0.28081720390003 32.065 > 5 28 S 0.00000000000000 0.36830739956171 0.78081720390003 32.065 > 5 29 S 0.33333333333333 0.36830739956171 0.78081720390003 32.065 > 5 30 S 0.66666666666667 0.36830739956171 0.78081720390003 32.065 > 5 31 S 0.00000000000000 0.36830739956171 0.46918279609997 32.065 > 6 32 S 0.33333333333333 0.36830739956171 0.46918279609997 32.065 > 6 33 S 0.66666666666667 0.36830739956171 0.46918279609997 32.065 > 6 34 S 0.00000000000000 0.36830739956171 0.96918279609997 32.065 > 6 35 S 0.33333333333333 0.36830739956171 0.96918279609997 32.065 > 6 36 S 0.66666666666667 0.36830739956171 0.96918279609997 32.065 > 6 37 S 0.00000000000000 0.93472215173710 0.12500000000000 32.065 > 1 38 S 0.33333333333333 0.93472215173710 0.12500000000000 32.065 > 1 39 S 0.66666666666667 0.93472215173710 0.12500000000000 32.065 > 1 40 S 0.00000000000000 0.93472215173710 0.62500000000000 32.065 > 1 41 S 0.33333333333333 0.93472215173710 0.62500000000000 32.065 > 1 42 S 0.66666666666667 0.93472215173710 0.62500000000000 32.065 > 1 43 S 0.16666666666667 0.56527784826290 0.37500000000000 32.065 > 2 44 S 0.50000000000000 0.56527784826290 0.37500000000000 32.065 > 2 45 S 0.83333333333333 0.56527784826290 0.37500000000000 32.065 > 2 46 S 0.16666666666667 0.56527784826290 0.87500000000000 32.065 > 2 47 S 0.50000000000000 0.56527784826290 0.87500000000000 32.065 > 2 48 S 0.83333333333333 0.56527784826290 0.87500000000000 32.065 > 2 49 S 0.00000000000000 0.63169260043829 0.03081720390003 32.065 > 3 50 S 0.33333333333333 0.63169260043829 0.03081720390003 32.065 > 3 51 S 0.66666666666667 0.63169260043829 0.03081720390003 32.065 > 3 52 S 0.00000000000000 0.63169260043829 0.53081720390003 32.065 > 3 53 S 0.33333333333333 0.63169260043829 0.53081720390003 32.065 > 3 54 S 0.66666666666667 0.63169260043829 0.53081720390003 32.065 > 3 55 S 0.00000000000000 0.63169260043829 0.21918279609997 32.065 > 4 56 S 0.33333333333333 0.63169260043829 0.21918279609997 32.065 > 4 57 S 0.66666666666667 0.63169260043829 0.21918279609997 32.065 > 4 58 S 0.00000000000000 0.63169260043829 0.71918279609997 32.065 > 4 59 S 0.33333333333333 0.63169260043829 0.71918279609997 32.065 > 4 60 S 0.66666666666667 0.63169260043829 0.71918279609997 32.065 > 4 61 S 0.16666666666667 0.86830739956171 0.28081720390003 32.065 > 5 62 S 0.50000000000000 0.86830739956171 0.28081720390003 32.065 > 5 63 S 0.83333333333333 0.86830739956171 0.28081720390003 32.065 > 5 64 S 0.16666666666667 0.86830739956171 0.78081720390003 32.065 > 5 65 S 0.50000000000000 0.86830739956171 0.78081720390003 32.065 > 5 66 S 0.83333333333333 0.86830739956171 0.78081720390003 32.065 > 5 67 S 0.16666666666667 0.86830739956171 0.46918279609997 32.065 > 6 68 S 0.50000000000000 0.86830739956171 0.46918279609997 32.065 > 6 69 S 0.83333333333333 0.86830739956171 0.46918279609997 32.065 > 6 70 S 0.16666666666667 0.86830739956171 0.96918279609997 32.065 > 6 71 S 0.50000000000000 0.86830739956171 0.96918279609997 32.065 > 6 72 S 0.83333333333333 0.86830739956171 0.96918279609997 32.065 > 6 *73 Cu 0.16666666666667 0.03191762131351 0.12500000000000 63.546 > 7 74 Cu 0.50000000000000 0.03191762131351 0.12500000000000 63.546 > 7 75 Cu 0.83333333333333 0.03191762131351 0.12500000000000 63.546 > 7 76 Cu 0.16666666666667 0.03191762131351 0.62500000000000 63.546 > 7 77 Cu 0.50000000000000 0.03191762131351 0.62500000000000 63.546 > 7 78 Cu 0.83333333333333 0.03191762131351 0.62500000000000 63.546 > 7 79 Cu 0.00000000000000 0.46808237868649 0.37500000000000 63.546 > 8 80 Cu 0.33333333333333 0.46808237868649 0.37500000000000 63.546 > 8 81 Cu 0.66666666666667 0.46808237868649 0.37500000000000 63.546 > 8 82 Cu 0.00000000000000 0.46808237868649 0.87500000000000 63.546 > 8 83 Cu 0.33333333333333 0.46808237868649 0.87500000000000 63.546 > 8 84 Cu 0.66666666666667 0.46808237868649 0.87500000000000 63.546 > 8 85 Cu 0.00000000000000 0.53191762131351 0.12500000000000 63.546 > 7 86 Cu 0.33333333333333 0.53191762131351 0.12500000000000 63.546 > 7 87 Cu 0.66666666666667 0.53191762131351 0.12500000000000 63.546 > 7 88 Cu 0.00000000000000 0.53191762131351 0.62500000000000 63.546 > 7 89 Cu 0.33333333333333 0.53191762131351 0.62500000000000 63.546 > 7 90 Cu 0.66666666666667 0.53191762131351 0.62500000000000 63.546 > 7 91 Cu 0.16666666666667 0.96808237868649 0.37500000000000 63.546 > 8 92 Cu 0.50000000000000 0.96808237868649 0.37500000000000 63.546 > 8 93 Cu 0.83333333333333 0.96808237868649 0.37500000000000 63.546 > 8 94 Cu 0.16666666666667 0.96808237868649 0.87500000000000 63.546 > 8 95 Cu 0.50000000000000 0.96808237868649 0.87500000000000 63.546 > 8 96 Cu 0.83333333333333 0.96808237868649 0.87500000000000 63.546 > 8 *97 Ba 0.16666666666667 0.24402019782322 0.37500000000000 137.327 > 9 98 Ba 0.50000000000000 0.24402019782322 0.37500000000000 137.327 > 9 99 Ba 0.83333333333333 0.24402019782322 0.37500000000000 137.327 > 9 100 Ba 0.16666666666667 0.24402019782322 0.87500000000000 137.327 > 9 101 Ba 0.50000000000000 0.24402019782322 0.87500000000000 137.327 > 9 102 Ba 0.83333333333333 0.24402019782322 0.87500000000000 137.327 > 9 103 Ba 0.00000000000000 0.25597980217678 0.12500000000000 137.327 > 10 104 Ba 0.33333333333333 0.25597980217678 0.12500000000000 137.327 > 10 105 Ba 0.66666666666667 0.25597980217678 0.12500000000000 137.327 > 10 106 Ba 0.00000000000000 0.25597980217678 0.62500000000000 137.327 > 10 107 Ba 0.33333333333333 0.25597980217678 0.62500000000000 137.327 > 10 108 Ba 0.66666666666667 0.25597980217678 0.62500000000000 137.327 > 10 109 Ba 0.00000000000000 0.74402019782322 0.37500000000000 137.327 > 9 110 Ba 0.33333333333333 0.74402019782322 0.37500000000000 137.327 > 9 111 Ba 0.66666666666667 0.74402019782322 0.37500000000000 137.327 > 9 112 Ba 0.00000000000000 0.74402019782322 0.87500000000000 137.327 > 9 113 Ba 0.33333333333333 0.74402019782322 0.87500000000000 137.327 > 9 114 Ba 0.66666666666667 0.74402019782322 0.87500000000000 137.327 > 9 115 Ba 0.16666666666667 0.75597980217678 0.12500000000000 137.327 > 10 116 Ba 0.50000000000000 0.75597980217678 0.12500000000000 137.327 > 10 117 Ba 0.83333333333333 0.75597980217678 0.12500000000000 137.327 > 10 118 Ba 0.16666666666667 0.75597980217678 0.62500000000000 137.327 > 10 119 Ba 0.50000000000000 0.75597980217678 0.62500000000000 137.327 > 10 120 Ba 0.83333333333333 0.75597980217678 0.62500000000000 137.327 > 10 *121 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 11 122 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 11 123 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 11 124 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 11 125 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 11 126 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 11 127 Er 0.00000000000000 0.00000000000000 0.25000000000000 167.259 > 12 128 Er 0.33333333333333 0.00000000000000 0.25000000000000 167.259 > 12 129 Er 0.66666666666667 0.00000000000000 0.25000000000000 167.259 > 12 130 Er 0.00000000000000 0.00000000000000 0.75000000000000 167.259 > 12 131 Er 0.33333333333333 0.00000000000000 0.75000000000000 167.259 > 12 132 Er 0.66666666666667 0.00000000000000 0.75000000000000 167.259 > 12 133 Er 0.16666666666667 0.50000000000000 0.00000000000000 167.259 > 11 134 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 > 11 135 Er 0.83333333333333 0.50000000000000 0.00000000000000 167.259 > 11 136 Er 0.16666666666667 0.50000000000000 0.50000000000000 167.259 > 11 137 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 > 11 138 Er 0.83333333333333 0.50000000000000 0.50000000000000 167.259 > 11 139 Er 0.16666666666667 0.50000000000000 0.25000000000000 167.259 > 12 140 Er 0.50000000000000 0.50000000000000 0.25000000000000 167.259 > 12 141 Er 0.83333333333333 0.50000000000000 0.25000000000000 167.259 > 12 142 Er 0.16666666666667 0.50000000000000 0.75000000000000 167.259 > 12 143 Er 0.50000000000000 0.50000000000000 0.75000000000000 167.259 > 12 144 Er 0.83333333333333 0.50000000000000 0.75000000000000 167.259 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6602257 0.0000000 0.0000000 0.0000000 6.4909968 0.0000000 0.0000000 0.0000000 7.4405039 -------------------------- Born effective charges -------------------------- 1 S -1.9090898 0.0000000 0.0000000 0.0000000 -1.7907973 0.0000000 0.0000000 0.0000000 -3.2423373 2 S -1.9090898 0.0000000 0.0000000 0.0000000 -1.7907973 0.0000000 0.0000000 0.0000000 -3.2423373 3 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 -0.2739038 0.0000000 -0.4000429 -2.1683622 4 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 0.2739038 0.0000000 0.4000429 -2.1683622 5 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 0.2739038 0.0000000 0.4000429 -2.1683622 6 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 -0.2739038 0.0000000 -0.4000429 -2.1683622 7 Cu 0.3940590 0.0000000 0.0000000 0.0000000 0.1878877 0.0000000 0.0000000 0.0000000 0.2796539 8 Cu 0.3940590 0.0000000 0.0000000 0.0000000 0.1878877 0.0000000 0.0000000 0.0000000 0.2796539 9 Ba 2.6538766 0.0000000 0.0000000 0.0000000 3.7429114 0.0000000 0.0000000 0.0000000 2.5640523 10 Ba 2.6538766 0.0000000 0.0000000 0.0000000 3.7429114 0.0000000 0.0000000 0.0000000 2.5640523 11 Er 4.5739463 0.0000000 0.0000000 0.0000000 2.3391045 0.2066263 0.0000000 0.4578864 4.7353556 12 Er 4.5739463 0.0000000 0.0000000 0.0000000 2.3391045 -0.2066263 0.0000000 -0.4578864 4.7353556 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.836 Solver_block: 200 / 240 - Time: 1.734 Solver_block: 240 / 240 - Time: 0.972 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.701 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 00:59:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:59:14]------------------------- 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): [3 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 1.970316130000000 -6.666286669999999 0.000000000000000 b 1.970316130000000 6.666286669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.017392129999999 Atomic positions (fractional): 1 S 0.06527784826290 0.93472215173710 0.25000000000000 32.065 2 S 0.93472215173710 0.06527784826290 0.75000000000000 32.065 3 S 0.36830739956171 0.63169260043829 0.06163440780005 32.065 4 S 0.36830739956171 0.63169260043829 0.43836559219995 32.065 5 S 0.63169260043829 0.36830739956171 0.56163440780005 32.065 6 S 0.63169260043829 0.36830739956171 0.93836559219995 32.065 7 Cu 0.46808237868649 0.53191762131351 0.25000000000000 63.546 8 Cu 0.53191762131351 0.46808237868649 0.75000000000000 63.546 9 Ba 0.25597980217678 0.74402019782322 0.75000000000000 137.327 10 Ba 0.74402019782322 0.25597980217678 0.25000000000000 137.327 11 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 12 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.821896779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.332573339999998 0.000000000000000 c 0.000000000000000 0.000000000000000 20.034784259999999 Atomic positions (fractional): 1 S 0.16666666666667 0.43472215173710 0.12500000000000 32.065 > 1 2 S 0.50000000000000 0.43472215173710 0.12500000000000 32.065 > 1 3 S 0.83333333333333 0.43472215173710 0.12500000000000 32.065 > 1 4 S 0.16666666666667 0.43472215173710 0.62500000000000 32.065 > 1 5 S 0.50000000000000 0.43472215173710 0.62500000000000 32.065 > 1 6 S 0.83333333333333 0.43472215173710 0.62500000000000 32.065 > 1 7 S 0.00000000000000 0.06527784826290 0.37500000000000 32.065 > 7 8 S 0.33333333333333 0.06527784826290 0.37500000000000 32.065 > 7 9 S 0.66666666666667 0.06527784826290 0.37500000000000 32.065 > 7 10 S 0.00000000000000 0.06527784826290 0.87500000000000 32.065 > 7 11 S 0.33333333333333 0.06527784826290 0.87500000000000 32.065 > 7 12 S 0.66666666666667 0.06527784826290 0.87500000000000 32.065 > 7 13 S 0.16666666666667 0.13169260043829 0.03081720390003 32.065 > 13 14 S 0.50000000000000 0.13169260043829 0.03081720390003 32.065 > 13 15 S 0.83333333333333 0.13169260043829 0.03081720390003 32.065 > 13 16 S 0.16666666666667 0.13169260043829 0.53081720390003 32.065 > 13 17 S 0.50000000000000 0.13169260043829 0.53081720390003 32.065 > 13 18 S 0.83333333333333 0.13169260043829 0.53081720390003 32.065 > 13 19 S 0.16666666666667 0.13169260043829 0.21918279609997 32.065 > 19 20 S 0.50000000000000 0.13169260043829 0.21918279609997 32.065 > 19 21 S 0.83333333333333 0.13169260043829 0.21918279609997 32.065 > 19 22 S 0.16666666666667 0.13169260043829 0.71918279609997 32.065 > 19 23 S 0.50000000000000 0.13169260043829 0.71918279609997 32.065 > 19 24 S 0.83333333333333 0.13169260043829 0.71918279609997 32.065 > 19 25 S 0.00000000000000 0.36830739956171 0.28081720390003 32.065 > 25 26 S 0.33333333333333 0.36830739956171 0.28081720390003 32.065 > 25 27 S 0.66666666666667 0.36830739956171 0.28081720390003 32.065 > 25 28 S 0.00000000000000 0.36830739956171 0.78081720390003 32.065 > 25 29 S 0.33333333333333 0.36830739956171 0.78081720390003 32.065 > 25 30 S 0.66666666666667 0.36830739956171 0.78081720390003 32.065 > 25 31 S 0.00000000000000 0.36830739956171 0.46918279609997 32.065 > 31 32 S 0.33333333333333 0.36830739956171 0.46918279609997 32.065 > 31 33 S 0.66666666666667 0.36830739956171 0.46918279609997 32.065 > 31 34 S 0.00000000000000 0.36830739956171 0.96918279609997 32.065 > 31 35 S 0.33333333333333 0.36830739956171 0.96918279609997 32.065 > 31 36 S 0.66666666666667 0.36830739956171 0.96918279609997 32.065 > 31 37 S 0.00000000000000 0.93472215173710 0.12500000000000 32.065 > 1 38 S 0.33333333333333 0.93472215173710 0.12500000000000 32.065 > 1 39 S 0.66666666666667 0.93472215173710 0.12500000000000 32.065 > 1 40 S 0.00000000000000 0.93472215173710 0.62500000000000 32.065 > 1 41 S 0.33333333333333 0.93472215173710 0.62500000000000 32.065 > 1 42 S 0.66666666666667 0.93472215173710 0.62500000000000 32.065 > 1 43 S 0.16666666666667 0.56527784826290 0.37500000000000 32.065 > 7 44 S 0.50000000000000 0.56527784826290 0.37500000000000 32.065 > 7 45 S 0.83333333333333 0.56527784826290 0.37500000000000 32.065 > 7 46 S 0.16666666666667 0.56527784826290 0.87500000000000 32.065 > 7 47 S 0.50000000000000 0.56527784826290 0.87500000000000 32.065 > 7 48 S 0.83333333333333 0.56527784826290 0.87500000000000 32.065 > 7 49 S 0.00000000000000 0.63169260043829 0.03081720390003 32.065 > 13 50 S 0.33333333333333 0.63169260043829 0.03081720390003 32.065 > 13 51 S 0.66666666666667 0.63169260043829 0.03081720390003 32.065 > 13 52 S 0.00000000000000 0.63169260043829 0.53081720390003 32.065 > 13 53 S 0.33333333333333 0.63169260043829 0.53081720390003 32.065 > 13 54 S 0.66666666666667 0.63169260043829 0.53081720390003 32.065 > 13 55 S 0.00000000000000 0.63169260043829 0.21918279609997 32.065 > 19 56 S 0.33333333333333 0.63169260043829 0.21918279609997 32.065 > 19 57 S 0.66666666666667 0.63169260043829 0.21918279609997 32.065 > 19 58 S 0.00000000000000 0.63169260043829 0.71918279609997 32.065 > 19 59 S 0.33333333333333 0.63169260043829 0.71918279609997 32.065 > 19 60 S 0.66666666666667 0.63169260043829 0.71918279609997 32.065 > 19 61 S 0.16666666666667 0.86830739956171 0.28081720390003 32.065 > 25 62 S 0.50000000000000 0.86830739956171 0.28081720390003 32.065 > 25 63 S 0.83333333333333 0.86830739956171 0.28081720390003 32.065 > 25 64 S 0.16666666666667 0.86830739956171 0.78081720390003 32.065 > 25 65 S 0.50000000000000 0.86830739956171 0.78081720390003 32.065 > 25 66 S 0.83333333333333 0.86830739956171 0.78081720390003 32.065 > 25 67 S 0.16666666666667 0.86830739956171 0.46918279609997 32.065 > 31 68 S 0.50000000000000 0.86830739956171 0.46918279609997 32.065 > 31 69 S 0.83333333333333 0.86830739956171 0.46918279609997 32.065 > 31 70 S 0.16666666666667 0.86830739956171 0.96918279609997 32.065 > 31 71 S 0.50000000000000 0.86830739956171 0.96918279609997 32.065 > 31 72 S 0.83333333333333 0.86830739956171 0.96918279609997 32.065 > 31 73 Cu 0.16666666666667 0.03191762131351 0.12500000000000 63.546 > 73 74 Cu 0.50000000000000 0.03191762131351 0.12500000000000 63.546 > 73 75 Cu 0.83333333333333 0.03191762131351 0.12500000000000 63.546 > 73 76 Cu 0.16666666666667 0.03191762131351 0.62500000000000 63.546 > 73 77 Cu 0.50000000000000 0.03191762131351 0.62500000000000 63.546 > 73 78 Cu 0.83333333333333 0.03191762131351 0.62500000000000 63.546 > 73 79 Cu 0.00000000000000 0.46808237868649 0.37500000000000 63.546 > 79 80 Cu 0.33333333333333 0.46808237868649 0.37500000000000 63.546 > 79 81 Cu 0.66666666666667 0.46808237868649 0.37500000000000 63.546 > 79 82 Cu 0.00000000000000 0.46808237868649 0.87500000000000 63.546 > 79 83 Cu 0.33333333333333 0.46808237868649 0.87500000000000 63.546 > 79 84 Cu 0.66666666666667 0.46808237868649 0.87500000000000 63.546 > 79 85 Cu 0.00000000000000 0.53191762131351 0.12500000000000 63.546 > 73 86 Cu 0.33333333333333 0.53191762131351 0.12500000000000 63.546 > 73 87 Cu 0.66666666666667 0.53191762131351 0.12500000000000 63.546 > 73 88 Cu 0.00000000000000 0.53191762131351 0.62500000000000 63.546 > 73 89 Cu 0.33333333333333 0.53191762131351 0.62500000000000 63.546 > 73 90 Cu 0.66666666666667 0.53191762131351 0.62500000000000 63.546 > 73 91 Cu 0.16666666666667 0.96808237868649 0.37500000000000 63.546 > 79 92 Cu 0.50000000000000 0.96808237868649 0.37500000000000 63.546 > 79 93 Cu 0.83333333333333 0.96808237868649 0.37500000000000 63.546 > 79 94 Cu 0.16666666666667 0.96808237868649 0.87500000000000 63.546 > 79 95 Cu 0.50000000000000 0.96808237868649 0.87500000000000 63.546 > 79 96 Cu 0.83333333333333 0.96808237868649 0.87500000000000 63.546 > 79 97 Ba 0.16666666666667 0.24402019782322 0.37500000000000 137.327 > 97 98 Ba 0.50000000000000 0.24402019782322 0.37500000000000 137.327 > 97 99 Ba 0.83333333333333 0.24402019782322 0.37500000000000 137.327 > 97 100 Ba 0.16666666666667 0.24402019782322 0.87500000000000 137.327 > 97 101 Ba 0.50000000000000 0.24402019782322 0.87500000000000 137.327 > 97 102 Ba 0.83333333333333 0.24402019782322 0.87500000000000 137.327 > 97 103 Ba 0.00000000000000 0.25597980217678 0.12500000000000 137.327 > 103 104 Ba 0.33333333333333 0.25597980217678 0.12500000000000 137.327 > 103 105 Ba 0.66666666666667 0.25597980217678 0.12500000000000 137.327 > 103 106 Ba 0.00000000000000 0.25597980217678 0.62500000000000 137.327 > 103 107 Ba 0.33333333333333 0.25597980217678 0.62500000000000 137.327 > 103 108 Ba 0.66666666666667 0.25597980217678 0.62500000000000 137.327 > 103 109 Ba 0.00000000000000 0.74402019782322 0.37500000000000 137.327 > 97 110 Ba 0.33333333333333 0.74402019782322 0.37500000000000 137.327 > 97 111 Ba 0.66666666666667 0.74402019782322 0.37500000000000 137.327 > 97 112 Ba 0.00000000000000 0.74402019782322 0.87500000000000 137.327 > 97 113 Ba 0.33333333333333 0.74402019782322 0.87500000000000 137.327 > 97 114 Ba 0.66666666666667 0.74402019782322 0.87500000000000 137.327 > 97 115 Ba 0.16666666666667 0.75597980217678 0.12500000000000 137.327 > 103 116 Ba 0.50000000000000 0.75597980217678 0.12500000000000 137.327 > 103 117 Ba 0.83333333333333 0.75597980217678 0.12500000000000 137.327 > 103 118 Ba 0.16666666666667 0.75597980217678 0.62500000000000 137.327 > 103 119 Ba 0.50000000000000 0.75597980217678 0.62500000000000 137.327 > 103 120 Ba 0.83333333333333 0.75597980217678 0.62500000000000 137.327 > 103 121 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 121 122 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 121 123 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 121 124 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 121 125 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 121 126 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 121 127 Er 0.00000000000000 0.00000000000000 0.25000000000000 167.259 > 127 128 Er 0.33333333333333 0.00000000000000 0.25000000000000 167.259 > 127 129 Er 0.66666666666667 0.00000000000000 0.25000000000000 167.259 > 127 130 Er 0.00000000000000 0.00000000000000 0.75000000000000 167.259 > 127 131 Er 0.33333333333333 0.00000000000000 0.75000000000000 167.259 > 127 132 Er 0.66666666666667 0.00000000000000 0.75000000000000 167.259 > 127 133 Er 0.16666666666667 0.50000000000000 0.00000000000000 167.259 > 121 134 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 > 121 135 Er 0.83333333333333 0.50000000000000 0.00000000000000 167.259 > 121 136 Er 0.16666666666667 0.50000000000000 0.50000000000000 167.259 > 121 137 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 > 121 138 Er 0.83333333333333 0.50000000000000 0.50000000000000 167.259 > 121 139 Er 0.16666666666667 0.50000000000000 0.25000000000000 167.259 > 127 140 Er 0.50000000000000 0.50000000000000 0.25000000000000 167.259 > 127 141 Er 0.83333333333333 0.50000000000000 0.25000000000000 167.259 > 127 142 Er 0.16666666666667 0.50000000000000 0.75000000000000 167.259 > 127 143 Er 0.50000000000000 0.50000000000000 0.75000000000000 167.259 > 127 144 Er 0.83333333333333 0.50000000000000 0.75000000000000 167.259 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6602257 0.0000000 0.0000000 0.0000000 6.4909968 0.0000000 0.0000000 0.0000000 7.4405039 -------------------------- Born effective charges -------------------------- 1 S -1.9090898 0.0000000 0.0000000 0.0000000 -1.7907973 0.0000000 0.0000000 0.0000000 -3.2423373 2 S -1.9090898 0.0000000 0.0000000 0.0000000 -1.7907973 0.0000000 0.0000000 0.0000000 -3.2423373 3 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 -0.2739038 0.0000000 -0.4000429 -2.1683622 4 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 0.2739038 0.0000000 0.4000429 -2.1683622 5 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 0.2739038 0.0000000 0.4000429 -2.1683622 6 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 -0.2739038 0.0000000 -0.4000429 -2.1683622 7 Cu 0.3940590 0.0000000 0.0000000 0.0000000 0.1878877 0.0000000 0.0000000 0.0000000 0.2796539 8 Cu 0.3940590 0.0000000 0.0000000 0.0000000 0.1878877 0.0000000 0.0000000 0.0000000 0.2796539 9 Ba 2.6538766 0.0000000 0.0000000 0.0000000 3.7429114 0.0000000 0.0000000 0.0000000 2.5640523 10 Ba 2.6538766 0.0000000 0.0000000 0.0000000 3.7429114 0.0000000 0.0000000 0.0000000 2.5640523 11 Er 4.5739463 0.0000000 0.0000000 0.0000000 2.3391045 0.2066263 0.0000000 0.4578864 4.7353556 12 Er 4.5739463 0.0000000 0.0000000 0.0000000 2.3391045 -0.2066263 0.0000000 -0.4578864 4.7353556 ---------------------------------------------------------------------------- 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[ 13, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Computing fc3[ 121, 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: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 00:59:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:59:35]------------------------- 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): [3 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 1.970316130000000 -6.666286669999999 0.000000000000000 b 1.970316130000000 6.666286669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.017392129999999 Atomic positions (fractional): 1 S 0.06527784826290 0.93472215173710 0.25000000000000 32.065 2 S 0.93472215173710 0.06527784826290 0.75000000000000 32.065 3 S 0.36830739956171 0.63169260043829 0.06163440780005 32.065 4 S 0.36830739956171 0.63169260043829 0.43836559219995 32.065 5 S 0.63169260043829 0.36830739956171 0.56163440780005 32.065 6 S 0.63169260043829 0.36830739956171 0.93836559219995 32.065 7 Cu 0.46808237868649 0.53191762131351 0.25000000000000 63.546 8 Cu 0.53191762131351 0.46808237868649 0.75000000000000 63.546 9 Ba 0.25597980217678 0.74402019782322 0.75000000000000 137.327 10 Ba 0.74402019782322 0.25597980217678 0.25000000000000 137.327 11 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 12 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.821896779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.332573339999998 0.000000000000000 c 0.000000000000000 0.000000000000000 20.034784259999999 Atomic positions (fractional): 1 S 0.16666666666667 0.43472215173710 0.12500000000000 32.065 > 1 2 S 0.50000000000000 0.43472215173710 0.12500000000000 32.065 > 1 3 S 0.83333333333333 0.43472215173710 0.12500000000000 32.065 > 1 4 S 0.16666666666667 0.43472215173710 0.62500000000000 32.065 > 1 5 S 0.50000000000000 0.43472215173710 0.62500000000000 32.065 > 1 6 S 0.83333333333333 0.43472215173710 0.62500000000000 32.065 > 1 7 S 0.00000000000000 0.06527784826290 0.37500000000000 32.065 > 7 8 S 0.33333333333333 0.06527784826290 0.37500000000000 32.065 > 7 9 S 0.66666666666667 0.06527784826290 0.37500000000000 32.065 > 7 10 S 0.00000000000000 0.06527784826290 0.87500000000000 32.065 > 7 11 S 0.33333333333333 0.06527784826290 0.87500000000000 32.065 > 7 12 S 0.66666666666667 0.06527784826290 0.87500000000000 32.065 > 7 13 S 0.16666666666667 0.13169260043829 0.03081720390003 32.065 > 13 14 S 0.50000000000000 0.13169260043829 0.03081720390003 32.065 > 13 15 S 0.83333333333333 0.13169260043829 0.03081720390003 32.065 > 13 16 S 0.16666666666667 0.13169260043829 0.53081720390003 32.065 > 13 17 S 0.50000000000000 0.13169260043829 0.53081720390003 32.065 > 13 18 S 0.83333333333333 0.13169260043829 0.53081720390003 32.065 > 13 19 S 0.16666666666667 0.13169260043829 0.21918279609997 32.065 > 19 20 S 0.50000000000000 0.13169260043829 0.21918279609997 32.065 > 19 21 S 0.83333333333333 0.13169260043829 0.21918279609997 32.065 > 19 22 S 0.16666666666667 0.13169260043829 0.71918279609997 32.065 > 19 23 S 0.50000000000000 0.13169260043829 0.71918279609997 32.065 > 19 24 S 0.83333333333333 0.13169260043829 0.71918279609997 32.065 > 19 25 S 0.00000000000000 0.36830739956171 0.28081720390003 32.065 > 25 26 S 0.33333333333333 0.36830739956171 0.28081720390003 32.065 > 25 27 S 0.66666666666667 0.36830739956171 0.28081720390003 32.065 > 25 28 S 0.00000000000000 0.36830739956171 0.78081720390003 32.065 > 25 29 S 0.33333333333333 0.36830739956171 0.78081720390003 32.065 > 25 30 S 0.66666666666667 0.36830739956171 0.78081720390003 32.065 > 25 31 S 0.00000000000000 0.36830739956171 0.46918279609997 32.065 > 31 32 S 0.33333333333333 0.36830739956171 0.46918279609997 32.065 > 31 33 S 0.66666666666667 0.36830739956171 0.46918279609997 32.065 > 31 34 S 0.00000000000000 0.36830739956171 0.96918279609997 32.065 > 31 35 S 0.33333333333333 0.36830739956171 0.96918279609997 32.065 > 31 36 S 0.66666666666667 0.36830739956171 0.96918279609997 32.065 > 31 37 S 0.00000000000000 0.93472215173710 0.12500000000000 32.065 > 1 38 S 0.33333333333333 0.93472215173710 0.12500000000000 32.065 > 1 39 S 0.66666666666667 0.93472215173710 0.12500000000000 32.065 > 1 40 S 0.00000000000000 0.93472215173710 0.62500000000000 32.065 > 1 41 S 0.33333333333333 0.93472215173710 0.62500000000000 32.065 > 1 42 S 0.66666666666667 0.93472215173710 0.62500000000000 32.065 > 1 43 S 0.16666666666667 0.56527784826290 0.37500000000000 32.065 > 7 44 S 0.50000000000000 0.56527784826290 0.37500000000000 32.065 > 7 45 S 0.83333333333333 0.56527784826290 0.37500000000000 32.065 > 7 46 S 0.16666666666667 0.56527784826290 0.87500000000000 32.065 > 7 47 S 0.50000000000000 0.56527784826290 0.87500000000000 32.065 > 7 48 S 0.83333333333333 0.56527784826290 0.87500000000000 32.065 > 7 49 S 0.00000000000000 0.63169260043829 0.03081720390003 32.065 > 13 50 S 0.33333333333333 0.63169260043829 0.03081720390003 32.065 > 13 51 S 0.66666666666667 0.63169260043829 0.03081720390003 32.065 > 13 52 S 0.00000000000000 0.63169260043829 0.53081720390003 32.065 > 13 53 S 0.33333333333333 0.63169260043829 0.53081720390003 32.065 > 13 54 S 0.66666666666667 0.63169260043829 0.53081720390003 32.065 > 13 55 S 0.00000000000000 0.63169260043829 0.21918279609997 32.065 > 19 56 S 0.33333333333333 0.63169260043829 0.21918279609997 32.065 > 19 57 S 0.66666666666667 0.63169260043829 0.21918279609997 32.065 > 19 58 S 0.00000000000000 0.63169260043829 0.71918279609997 32.065 > 19 59 S 0.33333333333333 0.63169260043829 0.71918279609997 32.065 > 19 60 S 0.66666666666667 0.63169260043829 0.71918279609997 32.065 > 19 61 S 0.16666666666667 0.86830739956171 0.28081720390003 32.065 > 25 62 S 0.50000000000000 0.86830739956171 0.28081720390003 32.065 > 25 63 S 0.83333333333333 0.86830739956171 0.28081720390003 32.065 > 25 64 S 0.16666666666667 0.86830739956171 0.78081720390003 32.065 > 25 65 S 0.50000000000000 0.86830739956171 0.78081720390003 32.065 > 25 66 S 0.83333333333333 0.86830739956171 0.78081720390003 32.065 > 25 67 S 0.16666666666667 0.86830739956171 0.46918279609997 32.065 > 31 68 S 0.50000000000000 0.86830739956171 0.46918279609997 32.065 > 31 69 S 0.83333333333333 0.86830739956171 0.46918279609997 32.065 > 31 70 S 0.16666666666667 0.86830739956171 0.96918279609997 32.065 > 31 71 S 0.50000000000000 0.86830739956171 0.96918279609997 32.065 > 31 72 S 0.83333333333333 0.86830739956171 0.96918279609997 32.065 > 31 73 Cu 0.16666666666667 0.03191762131351 0.12500000000000 63.546 > 73 74 Cu 0.50000000000000 0.03191762131351 0.12500000000000 63.546 > 73 75 Cu 0.83333333333333 0.03191762131351 0.12500000000000 63.546 > 73 76 Cu 0.16666666666667 0.03191762131351 0.62500000000000 63.546 > 73 77 Cu 0.50000000000000 0.03191762131351 0.62500000000000 63.546 > 73 78 Cu 0.83333333333333 0.03191762131351 0.62500000000000 63.546 > 73 79 Cu 0.00000000000000 0.46808237868649 0.37500000000000 63.546 > 79 80 Cu 0.33333333333333 0.46808237868649 0.37500000000000 63.546 > 79 81 Cu 0.66666666666667 0.46808237868649 0.37500000000000 63.546 > 79 82 Cu 0.00000000000000 0.46808237868649 0.87500000000000 63.546 > 79 83 Cu 0.33333333333333 0.46808237868649 0.87500000000000 63.546 > 79 84 Cu 0.66666666666667 0.46808237868649 0.87500000000000 63.546 > 79 85 Cu 0.00000000000000 0.53191762131351 0.12500000000000 63.546 > 73 86 Cu 0.33333333333333 0.53191762131351 0.12500000000000 63.546 > 73 87 Cu 0.66666666666667 0.53191762131351 0.12500000000000 63.546 > 73 88 Cu 0.00000000000000 0.53191762131351 0.62500000000000 63.546 > 73 89 Cu 0.33333333333333 0.53191762131351 0.62500000000000 63.546 > 73 90 Cu 0.66666666666667 0.53191762131351 0.62500000000000 63.546 > 73 91 Cu 0.16666666666667 0.96808237868649 0.37500000000000 63.546 > 79 92 Cu 0.50000000000000 0.96808237868649 0.37500000000000 63.546 > 79 93 Cu 0.83333333333333 0.96808237868649 0.37500000000000 63.546 > 79 94 Cu 0.16666666666667 0.96808237868649 0.87500000000000 63.546 > 79 95 Cu 0.50000000000000 0.96808237868649 0.87500000000000 63.546 > 79 96 Cu 0.83333333333333 0.96808237868649 0.87500000000000 63.546 > 79 97 Ba 0.16666666666667 0.24402019782322 0.37500000000000 137.327 > 97 98 Ba 0.50000000000000 0.24402019782322 0.37500000000000 137.327 > 97 99 Ba 0.83333333333333 0.24402019782322 0.37500000000000 137.327 > 97 100 Ba 0.16666666666667 0.24402019782322 0.87500000000000 137.327 > 97 101 Ba 0.50000000000000 0.24402019782322 0.87500000000000 137.327 > 97 102 Ba 0.83333333333333 0.24402019782322 0.87500000000000 137.327 > 97 103 Ba 0.00000000000000 0.25597980217678 0.12500000000000 137.327 > 103 104 Ba 0.33333333333333 0.25597980217678 0.12500000000000 137.327 > 103 105 Ba 0.66666666666667 0.25597980217678 0.12500000000000 137.327 > 103 106 Ba 0.00000000000000 0.25597980217678 0.62500000000000 137.327 > 103 107 Ba 0.33333333333333 0.25597980217678 0.62500000000000 137.327 > 103 108 Ba 0.66666666666667 0.25597980217678 0.62500000000000 137.327 > 103 109 Ba 0.00000000000000 0.74402019782322 0.37500000000000 137.327 > 97 110 Ba 0.33333333333333 0.74402019782322 0.37500000000000 137.327 > 97 111 Ba 0.66666666666667 0.74402019782322 0.37500000000000 137.327 > 97 112 Ba 0.00000000000000 0.74402019782322 0.87500000000000 137.327 > 97 113 Ba 0.33333333333333 0.74402019782322 0.87500000000000 137.327 > 97 114 Ba 0.66666666666667 0.74402019782322 0.87500000000000 137.327 > 97 115 Ba 0.16666666666667 0.75597980217678 0.12500000000000 137.327 > 103 116 Ba 0.50000000000000 0.75597980217678 0.12500000000000 137.327 > 103 117 Ba 0.83333333333333 0.75597980217678 0.12500000000000 137.327 > 103 118 Ba 0.16666666666667 0.75597980217678 0.62500000000000 137.327 > 103 119 Ba 0.50000000000000 0.75597980217678 0.62500000000000 137.327 > 103 120 Ba 0.83333333333333 0.75597980217678 0.62500000000000 137.327 > 103 121 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 121 122 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 121 123 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 121 124 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 121 125 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 121 126 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 121 127 Er 0.00000000000000 0.00000000000000 0.25000000000000 167.259 > 127 128 Er 0.33333333333333 0.00000000000000 0.25000000000000 167.259 > 127 129 Er 0.66666666666667 0.00000000000000 0.25000000000000 167.259 > 127 130 Er 0.00000000000000 0.00000000000000 0.75000000000000 167.259 > 127 131 Er 0.33333333333333 0.00000000000000 0.75000000000000 167.259 > 127 132 Er 0.66666666666667 0.00000000000000 0.75000000000000 167.259 > 127 133 Er 0.16666666666667 0.50000000000000 0.00000000000000 167.259 > 121 134 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 > 121 135 Er 0.83333333333333 0.50000000000000 0.00000000000000 167.259 > 121 136 Er 0.16666666666667 0.50000000000000 0.50000000000000 167.259 > 121 137 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 > 121 138 Er 0.83333333333333 0.50000000000000 0.50000000000000 167.259 > 121 139 Er 0.16666666666667 0.50000000000000 0.25000000000000 167.259 > 127 140 Er 0.50000000000000 0.50000000000000 0.25000000000000 167.259 > 127 141 Er 0.83333333333333 0.50000000000000 0.25000000000000 167.259 > 127 142 Er 0.16666666666667 0.50000000000000 0.75000000000000 167.259 > 127 143 Er 0.50000000000000 0.50000000000000 0.75000000000000 167.259 > 127 144 Er 0.83333333333333 0.50000000000000 0.75000000000000 167.259 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6602257 0.0000000 0.0000000 0.0000000 6.4909968 0.0000000 0.0000000 0.0000000 7.4405039 -------------------------- Born effective charges -------------------------- 1 S -1.9090898 0.0000000 0.0000000 0.0000000 -1.7907973 0.0000000 0.0000000 0.0000000 -3.2423373 2 S -1.9090898 0.0000000 0.0000000 0.0000000 -1.7907973 0.0000000 0.0000000 0.0000000 -3.2423373 3 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 -0.2739038 0.0000000 -0.4000429 -2.1683622 4 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 0.2739038 0.0000000 0.4000429 -2.1683622 5 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 0.2739038 0.0000000 0.4000429 -2.1683622 6 S -2.8563960 0.0000000 0.0000000 0.0000000 -2.2395531 -0.2739038 0.0000000 -0.4000429 -2.1683622 7 Cu 0.3940590 0.0000000 0.0000000 0.0000000 0.1878877 0.0000000 0.0000000 0.0000000 0.2796539 8 Cu 0.3940590 0.0000000 0.0000000 0.0000000 0.1878877 0.0000000 0.0000000 0.0000000 0.2796539 9 Ba 2.6538766 0.0000000 0.0000000 0.0000000 3.7429114 0.0000000 0.0000000 0.0000000 2.5640523 10 Ba 2.6538766 0.0000000 0.0000000 0.0000000 3.7429114 0.0000000 0.0000000 0.0000000 2.5640523 11 Er 4.5739463 0.0000000 0.0000000 0.0000000 2.3391045 0.2066263 0.0000000 0.4578864 4.7353556 12 Er 4.5739463 0.0000000 0.0000000 0.0000000 2.3391045 -0.2066263 0.0000000 -0.4578864 4.7353556 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 299, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 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 1.693 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 8.794 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 23.815 -3.845 0.000) 24.123 0.545 ( 29.559 6.466 0.000) 30.258 0.931 ( 41.661 -17.635 0.000) 45.240 1.725 ( 3.246 1.034 0.000) 3.407 1.838 ( -5.592 0.519 0.000) 5.616 2.115 ( 9.147 -0.790 0.000) 9.181 2.234 ( 2.847 1.050 0.000) 3.034 2.447 ( 12.345 4.786 0.000) 13.240 2.509 ( 6.979 1.397 0.000) 7.118 2.894 ( 1.557 0.630 0.000) 1.679 2.911 ( 5.059 1.236 0.000) 5.208 2.933 ( -2.792 -4.758 0.000) 5.517 3.246 ( -0.003 -1.353 0.000) 1.353 3.314 ( -1.315 0.678 0.000) 1.479 3.357 ( -0.530 -0.440 0.000) 0.689 3.416 ( -2.493 2.765 0.000) 3.723 3.593 ( -6.148 -7.250 0.000) 9.506 4.058 ( 0.642 -2.428 0.000) 2.512 5.820 ( 13.707 -0.265 0.000) 13.710 6.136 ( 0.125 -0.283 0.000) 0.309 6.544 ( -0.613 0.703 0.000) 0.932 6.567 ( 2.783 0.222 0.000) 2.792 6.889 ( 10.131 30.051 0.000) 31.712 7.062 ( -1.830 -2.499 0.000) 3.098 7.087 ( -2.175 0.084 0.000) 2.176 7.370 ( 1.038 2.918 0.000) 3.097 7.378 ( 1.565 -0.865 0.000) 1.788 7.460 ( 6.936 -5.163 0.000) 8.647 7.782 ( -2.259 11.855 0.000) 12.068 7.919 ( -2.500 -9.300 0.000) 9.630 8.113 ( -0.795 1.096 0.000) 1.354 8.302 ( -0.601 0.362 0.000) 0.702 8.355 ( -2.044 -8.701 0.000) 8.938 8.693 ( -1.695 -0.583 0.000) 1.793 8.768 ( -2.711 -0.267 0.000) 2.725 9.755 ( -1.681 0.209 0.000) 1.694 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 21.520 -3.513 0.000) 21.805 1.072 ( 28.016 6.284 0.000) 28.712 1.732 ( -2.212 3.187 0.000) 3.880 1.807 ( 37.624 -14.330 0.000) 40.260 1.810 ( 4.126 0.391 0.000) 4.144 2.313 ( 6.493 2.195 0.000) 6.854 2.351 ( 13.006 -2.059 0.000) 13.168 2.659 ( 8.399 3.064 0.000) 8.941 2.672 ( 12.291 7.477 0.000) 14.386 2.907 ( -2.546 -8.483 0.000) 8.857 2.926 ( 2.471 1.341 0.000) 2.811 3.034 ( 8.048 1.728 0.000) 8.231 3.263 ( 0.424 -1.682 0.000) 1.735 3.276 ( -1.890 0.893 0.000) 2.091 3.344 ( -1.149 -0.527 0.000) 1.265 3.347 ( -2.224 1.982 0.000) 2.979 3.482 ( -7.922 -3.258 0.000) 8.566 4.093 ( 1.231 -2.904 0.000) 3.154 6.138 ( 6.104 1.043 0.000) 6.192 6.178 ( 15.144 -1.444 0.000) 15.213 6.516 ( -1.553 1.514 0.000) 2.169 6.633 ( 3.806 0.306 0.000) 3.818 6.924 ( 5.409 10.950 0.000) 12.213 7.032 ( -3.047 0.057 0.000) 3.048 7.064 ( 1.370 -0.296 0.000) 1.402 7.338 ( -2.928 2.801 0.000) 4.052 7.431 ( 3.106 -1.471 0.000) 3.437 7.641 ( 4.525 7.504 0.000) 8.763 7.696 ( 4.159 1.050 0.000) 4.290 7.906 ( -2.092 -4.521 0.000) 4.982 8.081 ( -1.450 2.198 0.000) 2.633 8.267 ( -2.252 2.041 0.000) 3.039 8.388 ( 0.878 -6.881 0.000) 6.936 8.649 ( -3.264 -1.013 0.000) 3.417 8.697 ( -4.458 -0.238 0.000) 4.465 9.711 ( -2.391 0.285 0.000) 2.408 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 16.689 -2.872 0.000) 16.935 1.554 ( 24.566 5.810 0.000) 25.243 1.701 ( 0.812 2.294 0.000) 2.434 1.896 ( 5.094 1.391 0.000) 5.280 2.366 ( 9.619 2.856 0.000) 10.034 2.593 ( 22.533 -3.466 0.000) 22.799 2.606 ( 12.165 -2.686 0.000) 12.458 2.728 ( -3.618 -0.828 0.000) 3.711 2.760 ( 5.296 4.527 0.000) 6.967 2.996 ( 5.154 -0.551 0.000) 5.184 3.014 ( 8.560 -0.509 0.000) 8.575 3.194 ( 7.766 1.604 0.000) 7.930 3.247 ( 0.507 0.827 0.000) 0.970 3.251 ( -1.298 0.726 0.000) 1.487 3.310 ( -2.011 -4.256 0.000) 4.707 3.318 ( -1.771 -0.502 0.000) 1.841 3.403 ( 0.130 -5.229 0.000) 5.230 4.135 ( 1.656 -1.442 0.000) 2.196 6.189 ( 3.282 0.350 0.000) 3.301 6.475 ( -1.263 2.240 0.000) 2.571 6.527 ( 13.802 -0.015 0.000) 13.802 6.699 ( 2.860 0.310 0.000) 2.877 6.974 ( 4.166 3.648 0.000) 5.537 7.004 ( 2.132 -0.118 0.000) 2.136 7.095 ( 0.682 1.441 0.000) 1.594 7.250 ( -2.883 2.166 0.000) 3.606 7.514 ( 4.412 -1.647 0.000) 4.710 7.537 ( -6.549 2.462 0.000) 6.996 7.848 ( 3.372 3.417 0.000) 4.801 7.964 ( 9.011 -1.776 0.000) 9.185 8.033 ( -1.857 3.097 0.000) 3.611 8.193 ( -3.610 3.309 0.000) 4.897 8.464 ( 3.098 -4.588 0.000) 5.536 8.579 ( -4.527 -1.213 0.000) 4.686 8.610 ( -3.981 -0.228 0.000) 3.988 9.666 ( -1.964 0.198 0.000) 1.974 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 7.511 -1.273 0.000) 7.618 1.732 ( 2.675 0.184 0.000) 2.682 1.948 ( 18.512 4.865 0.000) 19.141 2.008 ( 7.496 0.966 0.000) 7.558 2.452 ( 3.534 6.864 0.000) 7.721 2.627 ( -6.734 -2.736 0.000) 7.269 2.671 ( -2.843 13.350 0.000) 13.650 2.777 ( 6.386 -0.786 0.000) 6.434 2.968 ( 5.076 -0.662 0.000) 5.119 3.097 ( 0.245 0.976 0.000) 1.006 3.113 ( 3.750 -3.639 0.000) 5.225 3.247 ( 1.417 -7.836 0.000) 7.963 3.277 ( 4.288 -0.742 0.000) 4.351 3.277 ( -2.072 -0.265 0.000) 2.088 3.352 ( 9.380 1.621 0.000) 9.519 3.473 ( 3.729 -7.754 0.000) 8.604 3.533 ( 16.775 -1.852 0.000) 16.877 4.177 ( 2.624 0.282 0.000) 2.639 6.269 ( 5.142 0.699 0.000) 5.189 6.447 ( -0.018 3.000 0.000) 3.000 6.634 ( -0.907 0.300 0.000) 0.956 6.735 ( 0.807 0.068 0.000) 0.810 7.016 ( -2.225 2.614 0.000) 3.432 7.071 ( 2.569 -0.664 0.000) 2.653 7.168 ( 12.553 -0.091 0.000) 12.553 7.242 ( 1.584 1.017 0.000) 1.882 7.391 ( -6.994 -0.364 0.000) 7.003 7.617 ( 5.117 -1.371 0.000) 5.297 7.850 ( -0.367 2.376 0.000) 2.404 7.976 ( -1.922 3.387 0.000) 3.894 8.073 ( -3.458 5.669 0.000) 6.641 8.182 ( 7.684 -1.919 0.000) 7.920 8.490 ( -5.199 -1.171 0.000) 5.330 8.511 ( -0.145 0.717 0.000) 0.732 8.602 ( 3.175 -2.526 0.000) 4.058 9.636 ( -1.009 0.035 0.000) 1.010 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 1.749 -0.297 0.000) 1.774 1.774 ( 1.087 -1.194 0.000) 1.615 2.156 ( 6.727 0.219 0.000) 6.731 2.205 ( 9.950 3.420 0.000) 10.521 2.424 ( -3.028 8.646 0.000) 9.161 2.514 ( -2.981 7.936 0.000) 8.477 2.523 ( -4.401 -1.204 0.000) 4.562 2.876 ( 3.406 0.078 0.000) 3.406 3.054 ( 5.759 0.823 0.000) 5.818 3.078 ( -1.017 0.336 0.000) 1.071 3.163 ( 0.147 -3.467 0.000) 3.470 3.234 ( -2.221 -0.305 0.000) 2.242 3.306 ( 0.219 -6.183 0.000) 6.187 3.354 ( 1.751 -0.267 0.000) 1.771 3.521 ( 7.860 1.736 0.000) 8.050 3.614 ( 5.349 -9.633 0.000) 11.019 3.818 ( 9.437 3.328 0.000) 10.007 4.260 ( 6.259 -0.755 0.000) 6.304 6.374 ( 5.812 0.942 0.000) 5.888 6.437 ( 0.683 3.241 0.000) 3.312 6.583 ( -2.958 0.259 0.000) 2.969 6.728 ( -1.508 -0.295 0.000) 1.536 6.932 ( -3.631 0.301 0.000) 3.643 7.164 ( 4.314 -0.404 0.000) 4.333 7.222 ( -3.209 0.902 0.000) 3.333 7.333 ( 0.993 -2.487 0.000) 2.678 7.399 ( 9.816 -0.024 0.000) 9.816 7.723 ( 4.782 -0.875 0.000) 4.861 7.810 ( -2.251 2.657 0.000) 3.482 7.922 ( -1.685 2.802 0.000) 3.270 7.956 ( -4.812 3.315 0.000) 5.843 8.304 ( 3.481 -0.779 0.000) 3.567 8.396 ( -4.732 -0.893 0.000) 4.816 8.525 ( 2.495 1.088 0.000) 2.722 8.688 ( 3.585 -1.256 0.000) 3.799 9.625 ( -0.257 -0.068 0.000) 0.266 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.117 -0.170 0.000) 0.206 1.795 ( 0.440 -0.725 0.000) 0.848 2.234 ( 1.449 0.101 0.000) 1.453 2.259 ( -1.674 3.963 0.000) 4.302 2.350 ( 1.332 1.455 0.000) 1.973 2.473 ( -0.045 1.898 0.000) 1.898 2.484 ( -0.369 -0.144 0.000) 0.396 2.913 ( 0.833 0.468 0.000) 0.955 3.063 ( -0.406 0.055 0.000) 0.409 3.166 ( 5.092 2.356 0.000) 5.611 3.182 ( 0.766 -1.327 0.000) 1.532 3.202 ( -1.005 -0.137 0.000) 1.015 3.300 ( -3.677 -5.433 0.000) 6.561 3.376 ( 0.984 1.056 0.000) 1.443 3.621 ( 2.831 0.686 0.000) 2.913 3.759 ( 3.192 -9.223 0.000) 9.760 3.866 ( 0.640 7.725 0.000) 7.751 4.384 ( 3.896 -0.915 0.000) 4.002 6.433 ( 0.325 1.552 0.000) 1.586 6.467 ( 3.410 0.619 0.000) 3.465 6.539 ( -1.247 0.085 0.000) 1.250 6.691 ( -1.803 -0.346 0.000) 1.836 6.886 ( -1.168 -0.391 0.000) 1.231 7.145 ( -1.749 0.968 0.000) 1.999 7.243 ( 1.469 -1.020 0.000) 1.788 7.394 ( 2.598 -1.560 0.000) 3.030 7.531 ( 3.520 -0.038 0.000) 3.520 7.739 ( -2.604 2.215 0.000) 3.418 7.803 ( 2.658 -0.512 0.000) 2.706 7.875 ( -1.854 0.691 0.000) 1.979 7.880 ( -1.225 1.361 0.000) 1.831 8.329 ( -2.135 -0.354 0.000) 2.164 8.344 ( 0.818 -0.174 0.000) 0.837 8.567 ( 1.510 0.333 0.000) 1.546 8.742 ( 1.377 -0.313 0.000) 1.412 9.623 ( -0.003 -0.044 0.000) 0.045 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 22.148 0.000 0.000) 22.148 1.120 ( 27.188 0.000 0.000) 27.188 1.713 ( 41.074 0.000 0.000) 41.074 1.751 ( -3.042 -0.000 0.000) 3.042 1.812 ( 4.852 0.000 0.000) 4.852 2.327 ( 6.344 0.000 0.000) 6.344 2.339 ( 13.000 0.000 0.000) 13.000 2.678 ( 8.951 0.000 0.000) 8.951 2.735 ( 14.911 0.000 0.000) 14.911 2.838 ( -5.286 -0.000 0.000) 5.286 2.935 ( 2.273 0.000 0.000) 2.273 3.044 ( 8.065 0.000 0.000) 8.065 3.252 ( 0.967 0.000 0.000) 0.967 3.281 ( -1.994 -0.000 0.000) 1.994 3.341 ( -1.086 -0.000 0.000) 1.086 3.359 ( -3.850 -0.000 0.000) 3.850 3.461 ( -7.284 -0.000 0.000) 7.284 4.076 ( 1.835 0.000 0.000) 1.835 6.147 ( 1.324 0.000 0.000) 1.324 6.166 ( 20.131 0.000 0.000) 20.131 6.525 ( -1.520 -0.000 0.000) 1.520 6.635 ( 3.775 0.000 0.000) 3.775 6.997 ( -0.843 -0.000 0.000) 0.843 7.032 ( -3.086 -0.000 0.000) 3.086 7.056 ( 3.377 0.000 0.000) 3.377 7.357 ( -3.347 -0.000 0.000) 3.347 7.422 ( 3.199 0.000 0.000) 3.199 7.677 ( 13.343 0.000 0.000) 13.343 7.719 ( -7.044 -0.000 0.000) 7.044 7.874 ( 0.554 0.000 0.000) 0.554 8.094 ( -1.436 -0.000 0.000) 1.436 8.296 ( -1.965 -0.000 0.000) 1.965 8.326 ( 2.168 0.000 0.000) 2.168 8.643 ( -3.231 -0.000 0.000) 3.231 8.696 ( -4.379 -0.000 0.000) 4.379 9.713 ( -2.433 -0.000 0.000) 2.433 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 17.429 -1.018 0.000) 17.459 1.609 ( 23.596 2.878 0.000) 23.771 1.720 ( -0.027 0.859 0.000) 0.859 1.907 ( 5.029 0.473 0.000) 5.051 2.380 ( 16.300 -0.008 0.000) 16.300 2.551 ( 24.561 -2.042 0.000) 24.645 2.584 ( 10.923 -0.991 0.000) 10.968 2.721 ( -6.223 -0.311 0.000) 6.231 2.817 ( 5.335 3.369 0.000) 6.310 2.989 ( 3.604 -0.507 0.000) 3.639 3.010 ( 11.313 -0.197 0.000) 11.315 3.215 ( 7.177 2.024 0.000) 7.457 3.254 ( 0.474 0.340 0.000) 0.583 3.259 ( -1.296 -3.222 0.000) 3.473 3.281 ( -3.529 3.278 0.000) 4.817 3.314 ( -1.741 -0.222 0.000) 1.755 3.342 ( -1.559 -5.021 0.000) 5.257 4.124 ( 2.665 -0.504 0.000) 2.712 6.192 ( 3.347 0.129 0.000) 3.349 6.493 ( -1.183 0.837 0.000) 1.449 6.527 ( 14.037 -0.016 0.000) 14.037 6.702 ( 2.816 0.120 0.000) 2.819 7.001 ( 1.889 1.126 0.000) 2.199 7.003 ( 2.074 -0.038 0.000) 2.075 7.108 ( 1.046 0.671 0.000) 1.243 7.268 ( -3.999 0.887 0.000) 4.096 7.501 ( 4.639 -0.564 0.000) 4.673 7.556 ( -8.538 0.744 0.000) 8.570 7.879 ( 0.968 1.670 0.000) 1.930 7.948 ( 12.407 -0.852 0.000) 12.436 8.057 ( -1.931 1.119 0.000) 2.232 8.234 ( -3.415 2.895 0.000) 4.477 8.412 ( 4.946 -3.441 0.000) 6.025 8.569 ( -4.449 -0.474 0.000) 4.474 8.609 ( -4.167 -0.074 0.000) 4.168 9.668 ( -2.047 0.072 0.000) 2.048 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 8.533 -0.705 0.000) 8.562 1.734 ( 1.519 0.124 0.000) 1.524 1.995 ( 17.288 3.008 0.000) 17.547 2.016 ( 6.975 0.529 0.000) 6.995 2.518 ( 3.806 4.248 0.000) 5.704 2.603 ( -6.116 -1.461 0.000) 6.288 2.758 ( 6.068 -0.156 0.000) 6.070 2.825 ( -0.540 10.818 0.000) 10.832 2.966 ( 6.530 0.454 0.000) 6.546 3.070 ( 2.895 -4.316 0.000) 5.197 3.105 ( -0.183 0.488 0.000) 0.521 3.156 ( 1.309 -6.598 0.000) 6.726 3.275 ( -2.217 -0.161 0.000) 2.223 3.280 ( 3.901 1.060 0.000) 4.042 3.367 ( 9.847 0.886 0.000) 9.887 3.388 ( 2.583 -6.519 0.000) 7.012 3.515 ( 17.754 -1.118 0.000) 17.789 4.180 ( 2.952 0.168 0.000) 2.957 6.275 ( 5.216 0.356 0.000) 5.228 6.475 ( 0.081 1.737 0.000) 1.739 6.637 ( -0.876 0.174 0.000) 0.893 6.736 ( 0.641 0.069 0.000) 0.645 7.042 ( -2.836 1.822 0.000) 3.371 7.064 ( 1.460 -0.599 0.000) 1.578 7.168 ( 12.668 -0.007 0.000) 12.668 7.248 ( 1.482 0.229 0.000) 1.500 7.389 ( -7.966 -0.056 0.000) 7.966 7.605 ( 5.440 -0.735 0.000) 5.490 7.868 ( -0.969 0.936 0.000) 1.347 8.007 ( -2.253 1.916 0.000) 2.957 8.126 ( -5.506 2.260 0.000) 5.952 8.175 ( 9.640 1.458 0.000) 9.749 8.478 ( -5.062 -0.741 0.000) 5.116 8.519 ( 2.269 0.689 0.000) 2.371 8.569 ( 2.062 -2.844 0.000) 3.513 9.636 ( -1.085 0.020 0.000) 1.085 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 1.914 -0.196 0.000) 1.924 1.762 ( 0.881 -0.871 0.000) 1.238 2.158 ( 6.544 0.154 0.000) 6.546 2.236 ( 8.720 1.926 0.000) 8.930 2.505 ( -2.165 5.125 0.000) 5.563 2.512 ( -3.491 -0.791 0.000) 3.579 2.618 ( -8.729 9.534 0.000) 12.926 2.886 ( 4.820 1.789 0.000) 5.141 3.054 ( 5.971 -1.462 0.000) 6.148 3.082 ( -1.261 0.218 0.000) 1.280 3.129 ( 1.447 -1.948 0.000) 2.427 3.224 ( -0.952 -7.362 0.000) 7.424 3.231 ( -2.163 -0.219 0.000) 2.174 3.361 ( 3.611 1.309 0.000) 3.841 3.509 ( 4.937 -8.174 0.000) 9.550 3.539 ( 7.440 1.192 0.000) 7.535 3.857 ( 14.084 3.104 0.000) 14.422 4.248 ( 4.387 -1.215 0.000) 4.552 6.383 ( 5.723 0.534 0.000) 5.748 6.470 ( 0.334 2.393 0.000) 2.416 6.586 ( -2.979 0.259 0.000) 2.990 6.725 ( -1.633 -0.156 0.000) 1.640 6.937 ( -4.483 0.497 0.000) 4.511 7.154 ( 4.897 -0.995 0.000) 4.997 7.235 ( -4.759 1.181 0.000) 4.904 7.308 ( 1.456 -1.882 0.000) 2.379 7.399 ( 9.834 0.069 0.000) 9.835 7.714 ( 5.050 -0.610 0.000) 5.087 7.833 ( -1.937 1.440 0.000) 2.413 7.950 ( -2.345 1.981 0.000) 3.070 7.986 ( -6.847 1.837 0.000) 7.089 8.307 ( 4.383 1.099 0.000) 4.518 8.387 ( -4.496 -0.717 0.000) 4.552 8.537 ( 2.081 1.069 0.000) 2.340 8.668 ( 4.196 -1.984 0.000) 4.641 9.624 ( -0.275 -0.050 0.000) 0.279 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 0.441 0.530 0.000) 0.689 1.783 ( 0.734 -1.256 0.000) 1.455 2.235 ( 1.380 0.074 0.000) 1.382 2.302 ( -2.339 2.861 0.000) 3.695 2.378 ( -2.906 3.788 0.000) 4.774 2.483 ( -0.132 -0.111 0.000) 0.172 2.489 ( -2.789 0.875 0.000) 2.924 2.927 ( 0.754 1.947 0.000) 2.088 3.063 ( -0.485 0.040 0.000) 0.486 3.170 ( 1.738 -0.449 0.000) 1.795 3.187 ( 3.667 0.794 0.000) 3.752 3.201 ( -0.863 -0.111 0.000) 0.870 3.221 ( -0.312 -7.606 0.000) 7.613 3.399 ( 1.503 2.598 0.000) 3.002 3.628 ( 2.104 0.572 0.000) 2.180 3.646 ( 3.554 -9.297 0.000) 9.953 3.974 ( 2.866 9.801 0.000) 10.212 4.358 ( 3.730 -3.486 0.000) 5.106 6.451 ( -1.199 1.460 0.000) 1.889 6.472 ( 2.729 0.187 0.000) 2.735 6.541 ( -1.275 0.249 0.000) 1.299 6.689 ( -1.479 -0.143 0.000) 1.486 6.883 ( -0.863 -0.095 0.000) 0.868 7.149 ( -3.006 -0.089 0.000) 3.008 7.239 ( 3.010 0.248 0.000) 3.020 7.373 ( 3.211 -1.990 0.000) 3.778 7.531 ( 3.552 0.037 0.000) 3.552 7.766 ( -3.759 2.501 0.000) 4.515 7.797 ( 2.760 -0.530 0.000) 2.810 7.874 ( -3.424 -0.949 0.000) 3.553 7.896 ( -2.209 1.212 0.000) 2.520 8.325 ( -1.762 -0.339 0.000) 1.794 8.352 ( 1.450 1.363 0.000) 1.990 8.571 ( 1.144 0.400 0.000) 1.212 8.735 ( 1.614 -0.952 0.000) 1.874 9.623 ( 0.040 -0.038 0.000) 0.055 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.242 0.800 0.000) 0.836 1.799 ( 0.347 0.061 0.000) 0.352 2.222 ( -2.349 -2.140 0.000) 3.177 2.233 ( -1.533 -0.106 0.000) 1.536 2.338 ( -3.025 -0.675 0.000) 3.100 2.446 ( -2.388 -2.794 0.000) 3.676 2.486 ( 0.635 0.146 0.000) 0.652 2.915 ( -0.787 0.832 0.000) 1.145 3.062 ( 0.317 -0.059 0.000) 0.322 3.129 ( -5.466 -3.896 0.000) 6.712 3.203 ( 1.168 2.214 0.000) 2.504 3.204 ( 1.154 0.132 0.000) 1.161 3.326 ( 4.212 -0.607 0.000) 4.255 3.395 ( 0.330 4.151 0.000) 4.164 3.613 ( -3.626 -0.643 0.000) 3.683 3.741 ( 0.398 -8.052 0.000) 8.061 3.912 ( -1.996 11.165 0.000) 11.342 4.378 ( -3.632 -1.896 0.000) 4.097 6.416 ( -1.931 -1.274 0.000) 2.314 6.458 ( -3.988 -0.921 0.000) 4.093 6.539 ( 1.166 0.108 0.000) 1.171 6.696 ( 2.054 0.473 0.000) 2.108 6.892 ( 1.609 0.737 0.000) 1.769 7.128 ( 0.327 -1.750 0.000) 1.780 7.261 ( -0.174 1.932 0.000) 1.940 7.407 ( -1.146 0.551 0.000) 1.271 7.532 ( -3.450 0.117 0.000) 3.452 7.716 ( 0.357 -1.632 0.000) 1.671 7.808 ( -2.233 0.246 0.000) 2.246 7.860 ( 0.764 -1.815 0.000) 1.969 7.866 ( -0.144 -1.078 0.000) 1.088 8.332 ( 2.505 0.284 0.000) 2.521 8.356 ( -0.097 1.700 0.000) 1.702 8.564 ( -1.887 -0.205 0.000) 1.898 8.741 ( -1.255 -0.424 0.000) 1.324 9.624 ( 0.048 0.041 0.000) 0.063 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -1.665 0.334 0.000) 1.698 1.788 ( -1.255 1.229 0.000) 1.757 2.154 ( -6.932 -0.236 0.000) 6.936 2.156 ( -10.500 -5.102 0.000) 11.674 2.325 ( 1.643 -7.595 0.000) 7.770 2.431 ( -1.451 -6.632 0.000) 6.789 2.539 ( 5.612 1.409 0.000) 5.787 2.880 ( -3.032 0.449 0.000) 3.065 3.044 ( -3.889 -0.622 0.000) 3.939 3.074 ( 0.675 -0.405 0.000) 0.787 3.203 ( 0.360 3.283 0.000) 3.303 3.238 ( 2.286 0.320 0.000) 2.309 3.336 ( -2.705 0.080 0.000) 2.706 3.394 ( 1.600 5.631 0.000) 5.853 3.500 ( -8.423 -1.919 0.000) 8.639 3.702 ( -6.088 2.935 0.000) 6.759 3.805 ( -5.425 3.588 0.000) 6.504 4.262 ( -7.177 -0.477 0.000) 7.193 6.362 ( -5.855 -1.225 0.000) 5.982 6.398 ( -1.182 -3.303 0.000) 3.508 6.581 ( 2.885 -0.133 0.000) 2.888 6.732 ( 1.338 0.392 0.000) 1.394 6.932 ( 2.790 0.361 0.000) 2.813 7.154 ( -1.430 -2.125 0.000) 2.561 7.221 ( -0.971 0.823 0.000) 1.273 7.364 ( -0.451 2.847 0.000) 2.882 7.400 ( -9.779 0.172 0.000) 9.780 7.734 ( -4.368 1.048 0.000) 4.492 7.770 ( 1.939 -4.182 0.000) 4.609 7.888 ( 0.832 -3.112 0.000) 3.221 7.917 ( 3.521 -2.991 0.000) 4.620 8.324 ( -2.493 2.429 0.000) 3.480 8.406 ( 4.975 0.829 0.000) 5.043 8.513 ( -2.866 -1.007 0.000) 3.038 8.696 ( -3.307 0.137 0.000) 3.310 9.625 ( 0.235 0.070 0.000) 0.245 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -5.978 1.588 0.000) 6.185 1.730 ( -4.208 -0.170 0.000) 4.211 1.890 ( -18.902 -4.869 0.000) 19.519 1.995 ( -8.340 -1.223 0.000) 8.429 2.367 ( -3.040 -7.643 0.000) 8.225 2.512 ( 2.308 -13.910 0.000) 14.100 2.665 ( 7.684 3.662 0.000) 8.512 2.784 ( -6.192 0.244 0.000) 6.197 2.985 ( -2.974 2.524 0.000) 3.901 3.083 ( -1.038 -1.475 0.000) 1.804 3.156 ( -4.164 3.683 0.000) 5.559 3.278 ( -2.356 0.666 0.000) 2.448 3.280 ( 1.670 0.263 0.000) 1.690 3.330 ( -8.482 -2.019 0.000) 8.719 3.343 ( -2.563 7.418 0.000) 7.848 3.549 ( -8.419 2.971 0.000) 8.928 3.567 ( -12.998 6.332 0.000) 14.458 4.173 ( -1.990 -0.300 0.000) 2.012 6.260 ( -4.984 -0.959 0.000) 5.075 6.409 ( 0.193 -3.528 0.000) 3.534 6.631 ( 0.892 -0.328 0.000) 0.950 6.735 ( -1.028 -0.006 0.000) 1.028 6.986 ( 0.633 -2.413 0.000) 2.495 7.078 ( -3.317 0.341 0.000) 3.334 7.170 ( -12.425 0.230 0.000) 12.427 7.222 ( -1.642 -2.408 0.000) 2.914 7.400 ( 5.233 1.167 0.000) 5.361 7.636 ( -4.576 1.888 0.000) 4.950 7.811 ( -0.365 -4.265 0.000) 4.280 7.931 ( 1.421 -4.240 0.000) 4.472 8.016 ( 3.800 -3.786 0.000) 5.365 8.209 ( -7.230 2.581 0.000) 7.677 8.502 ( 1.298 -0.668 0.000) 1.459 8.504 ( 5.370 1.226 0.000) 5.508 8.623 ( -3.238 1.090 0.000) 3.416 9.636 ( 0.905 -0.043 0.000) 0.906 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -15.446 4.199 0.000) 16.007 1.494 ( -23.833 -3.903 0.000) 24.151 1.670 ( -2.227 -2.987 0.000) 3.726 1.875 ( -5.259 -2.239 0.000) 5.716 2.317 ( -6.069 -5.374 0.000) 8.107 2.564 ( -8.358 -9.262 0.000) 12.475 2.630 ( -9.624 2.024 0.000) 9.835 2.739 ( -0.898 1.107 0.000) 1.426 2.782 ( -14.871 7.712 0.000) 16.752 3.006 ( -6.925 1.440 0.000) 7.074 3.021 ( -3.840 0.624 0.000) 3.890 3.185 ( -11.265 0.400 0.000) 11.272 3.236 ( -0.557 -1.013 0.000) 1.156 3.256 ( 1.344 1.186 0.000) 1.793 3.324 ( 1.868 0.552 0.000) 1.948 3.351 ( -0.861 2.544 0.000) 2.686 3.459 ( -0.885 4.400 0.000) 4.488 4.156 ( 0.054 2.125 0.000) 2.125 6.184 ( -3.104 -0.480 0.000) 3.141 6.444 ( 1.429 -2.947 0.000) 3.275 6.527 ( -13.431 -0.052 0.000) 13.431 6.695 ( -2.968 -0.380 0.000) 2.993 6.919 ( -7.717 -5.681 0.000) 9.582 7.006 ( -2.259 0.195 0.000) 2.268 7.078 ( -0.435 -1.359 0.000) 1.426 7.219 ( 1.337 -3.383 0.000) 3.637 7.503 ( 3.267 -3.236 0.000) 4.599 7.539 ( -3.948 2.615 0.000) 4.736 7.808 ( -2.808 -3.297 0.000) 4.331 7.988 ( -6.258 2.249 0.000) 6.650 7.988 ( 1.700 -4.485 0.000) 4.796 8.164 ( 3.832 -1.836 0.000) 4.249 8.507 ( -1.452 2.846 0.000) 3.195 8.595 ( 4.659 1.507 0.000) 4.897 8.613 ( 3.552 0.215 0.000) 3.558 9.663 ( 1.822 -0.272 0.000) 1.842 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -19.977 6.005 0.000) 20.860 1.023 ( -25.368 -0.865 0.000) 25.383 1.682 ( 0.780 -5.297 0.000) 5.354 1.801 ( -3.139 -1.212 0.000) 3.365 1.997 ( -30.815 16.765 0.000) 35.081 2.282 ( -7.188 -2.829 0.000) 7.725 2.383 ( -13.177 3.287 0.000) 13.581 2.590 ( -13.548 -6.424 0.000) 14.994 2.614 ( -7.046 -4.315 0.000) 8.262 2.908 ( -3.239 -1.713 0.000) 3.664 3.006 ( 3.590 8.198 0.000) 8.949 3.006 ( -8.132 -2.851 0.000) 8.617 3.263 ( 1.687 -1.335 0.000) 2.152 3.284 ( -1.324 1.366 0.000) 1.902 3.318 ( 0.696 -2.661 0.000) 2.751 3.352 ( 1.275 0.766 0.000) 1.487 3.523 ( 8.219 3.393 0.000) 8.891 4.139 ( 0.239 4.857 0.000) 4.863 6.129 ( -7.217 -0.539 0.000) 7.237 6.193 ( -13.461 1.211 0.000) 13.515 6.490 ( 1.185 -2.953 0.000) 3.182 6.628 ( -3.900 -0.543 0.000) 3.938 6.773 ( -13.480 -14.061 0.000) 19.479 7.031 ( 2.932 -0.109 0.000) 2.934 7.059 ( -1.047 -1.026 0.000) 1.466 7.300 ( 3.250 -3.815 0.000) 5.012 7.456 ( -2.821 2.880 0.000) 4.031 7.539 ( -2.672 -8.713 0.000) 9.113 7.690 ( -8.008 -0.391 0.000) 8.018 7.961 ( 4.393 4.660 0.000) 6.404 8.045 ( 1.476 -3.967 0.000) 4.233 8.252 ( 3.693 -0.859 0.000) 3.791 8.460 ( -0.347 5.157 0.000) 5.169 8.665 ( 3.353 1.627 0.000) 3.727 8.701 ( 4.700 0.410 0.000) 4.718 9.707 ( 2.275 -0.493 0.000) 2.327 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -19.504 9.212 0.000) 21.570 0.576 ( -20.320 9.240 0.000) 22.322 1.205 ( -34.864 26.734 0.000) 43.934 1.699 ( -2.427 -3.629 0.000) 4.365 1.827 ( 5.519 -1.308 0.000) 5.671 2.131 ( -9.427 1.885 0.000) 9.614 2.215 ( -2.543 -2.059 0.000) 3.273 2.361 ( -13.127 -8.801 0.000) 15.804 2.487 ( -6.729 -2.184 0.000) 7.075 2.877 ( -2.519 -2.425 0.000) 3.496 2.891 ( -4.319 -1.945 0.000) 4.737 3.020 ( 2.619 9.143 0.000) 9.511 3.243 ( -1.719 -2.956 0.000) 3.419 3.301 ( 1.206 -1.414 0.000) 1.859 3.365 ( 0.625 0.864 0.000) 1.066 3.384 ( 3.231 -1.870 0.000) 3.733 3.697 ( 13.928 8.023 0.000) 16.073 4.110 ( 0.052 6.132 0.000) 6.132 5.826 ( -13.437 0.776 0.000) 13.460 6.142 ( -0.073 0.705 0.000) 0.709 6.463 ( -23.344 -26.345 0.000) 35.200 6.560 ( -7.437 -7.073 0.000) 10.263 6.562 ( -2.861 -0.626 0.000) 2.929 7.062 ( 0.354 -1.288 0.000) 1.335 7.085 ( 2.125 -0.250 0.000) 2.139 7.353 ( 1.313 -0.675 0.000) 1.477 7.398 ( -1.457 2.575 0.000) 2.959 7.491 ( -4.139 0.176 0.000) 4.142 7.638 ( -0.484 -12.082 0.000) 12.091 8.018 ( 3.876 7.548 0.000) 8.485 8.088 ( 0.833 -3.069 0.000) 3.180 8.306 ( 1.652 0.763 0.000) 1.820 8.453 ( 3.746 6.256 0.000) 7.292 8.706 ( 1.733 1.510 0.000) 2.299 8.774 ( 2.926 0.843 0.000) 3.045 9.750 ( 1.630 -0.570 0.000) 1.727 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( 0.000 18.043 0.000) 18.043 0.333 ( 0.000 28.553 0.000) 28.553 0.455 ( 0.000 39.176 0.000) 39.176 1.684 ( -0.000 -1.685 0.000) 1.685 1.918 ( 0.000 0.222 0.000) 0.222 2.025 ( 0.000 1.071 0.000) 1.071 2.203 ( -0.000 -1.208 0.000) 1.208 2.257 ( -0.000 -9.517 0.000) 9.517 2.415 ( -0.000 -0.471 0.000) 0.471 2.829 ( -0.000 -1.616 0.000) 1.616 2.874 ( -0.000 -0.815 0.000) 0.815 2.997 ( 0.000 7.693 0.000) 7.693 3.251 ( -0.000 -3.526 0.000) 3.526 3.321 ( -0.000 -1.252 0.000) 1.252 3.366 ( 0.000 0.803 0.000) 0.803 3.438 ( -0.000 -2.056 0.000) 2.056 4.076 ( 0.000 5.053 0.000) 5.053 4.121 ( -0.000 -4.431 0.000) 4.431 5.683 ( 0.000 0.757 0.000) 0.757 5.702 ( 0.000 0.111 0.000) 0.111 6.139 ( 0.000 0.600 0.000) 0.600 6.536 ( -0.000 -0.514 0.000) 0.514 6.548 ( -0.000 -0.499 0.000) 0.499 7.074 ( -0.000 -1.288 0.000) 1.288 7.108 ( -0.000 -0.213 0.000) 0.213 7.371 ( 0.000 1.819 0.000) 1.819 7.379 ( 0.000 0.112 0.000) 0.112 7.455 ( 0.000 0.171 0.000) 0.171 7.723 ( -0.000 -14.437 0.000) 14.437 8.007 ( 0.000 9.622 0.000) 9.622 8.111 ( -0.000 -2.096 0.000) 2.096 8.312 ( 0.000 1.155 0.000) 1.155 8.544 ( -0.000 -1.050 0.000) 1.050 8.715 ( 0.000 1.135 0.000) 1.135 8.799 ( 0.000 0.867 0.000) 0.867 9.770 ( -0.000 -0.449 0.000) 0.449 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 8.891 0.000 0.000) 8.891 1.735 ( 1.088 0.000 0.000) 1.088 2.013 ( 16.648 0.000 0.000) 16.648 2.020 ( 6.800 0.000 0.000) 6.800 2.544 ( 3.906 0.000 0.000) 3.906 2.594 ( -5.895 -0.000 0.000) 5.895 2.755 ( 7.044 0.000 0.000) 7.044 2.905 ( 3.712 0.000 0.000) 3.712 2.992 ( -7.793 -0.000 0.000) 7.793 3.007 ( 14.324 0.000 0.000) 14.324 3.108 ( -0.318 -0.000 0.000) 0.318 3.118 ( -0.271 -0.000 0.000) 0.271 3.274 ( -2.257 -0.000 0.000) 2.257 3.294 ( 3.746 0.000 0.000) 3.746 3.341 ( 2.476 0.000 0.000) 2.476 3.372 ( 9.997 0.000 0.000) 9.997 3.509 ( 18.164 0.000 0.000) 18.164 4.181 ( 3.049 0.000 0.000) 3.049 6.277 ( 5.236 0.000 0.000) 5.236 6.485 ( 0.111 0.000 0.000) 0.111 6.638 ( -0.856 -0.000 0.000) 0.856 6.737 ( 0.580 0.000 0.000) 0.580 7.056 ( -5.724 -0.000 0.000) 5.724 7.057 ( 3.722 0.000 0.000) 3.722 7.168 ( 12.715 0.000 0.000) 12.715 7.249 ( 1.388 0.000 0.000) 1.388 7.389 ( -8.221 -0.000 0.000) 8.221 7.601 ( 5.547 0.000 0.000) 5.547 7.873 ( -1.142 -0.000 0.000) 1.142 8.018 ( -2.371 -0.000 0.000) 2.371 8.133 ( -2.942 -0.000 0.000) 2.942 8.193 ( 6.656 0.000 0.000) 6.656 8.474 ( -5.008 -0.000 0.000) 5.008 8.525 ( 6.717 0.000 0.000) 6.717 8.548 ( -1.620 -0.000 0.000) 1.620 9.637 ( -1.113 -0.000 0.000) 1.113 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 2.063 -0.067 0.000) 2.064 1.755 ( 0.719 -0.320 0.000) 0.787 2.160 ( 6.436 0.055 0.000) 6.437 2.250 ( 7.897 0.610 0.000) 7.920 2.506 ( -3.009 -0.274 0.000) 3.021 2.544 ( -2.690 1.657 0.000) 3.159 2.707 ( -11.648 4.629 0.000) 12.534 2.924 ( 6.277 4.786 0.000) 7.894 3.010 ( 4.757 -5.552 0.000) 7.311 3.083 ( -1.389 0.075 0.000) 1.391 3.123 ( 2.301 0.824 0.000) 2.444 3.153 ( -0.073 -4.249 0.000) 4.249 3.229 ( -2.129 -0.079 0.000) 2.131 3.384 ( 4.529 2.820 0.000) 5.335 3.431 ( 4.805 -5.264 0.000) 7.127 3.548 ( 7.220 0.423 0.000) 7.233 3.884 ( 17.361 1.258 0.000) 17.406 4.237 ( 2.609 -0.604 0.000) 2.678 6.387 ( 5.649 0.165 0.000) 5.652 6.490 ( 0.165 0.886 0.000) 0.901 6.588 ( -2.973 0.107 0.000) 2.975 6.724 ( -1.696 -0.044 0.000) 1.697 6.941 ( -5.026 0.232 0.000) 5.031 7.145 ( 4.838 -0.421 0.000) 4.857 7.246 ( -5.693 0.575 0.000) 5.722 7.291 ( 2.207 -0.825 0.000) 2.356 7.400 ( 9.838 0.044 0.000) 9.838 7.709 ( 5.184 -0.223 0.000) 5.189 7.844 ( -1.578 0.478 0.000) 1.649 7.966 ( -2.716 0.721 0.000) 2.810 7.998 ( -8.049 0.420 0.000) 8.060 8.321 ( 4.549 0.898 0.000) 4.637 8.381 ( -4.343 -0.279 0.000) 4.352 8.548 ( 1.586 0.606 0.000) 1.698 8.648 ( 5.001 -1.170 0.000) 5.136 9.624 ( -0.285 -0.018 0.000) 0.286 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 1.366 0.959 0.000) 1.669 1.767 ( 0.409 -1.363 0.000) 1.423 2.235 ( 1.336 0.038 0.000) 1.336 2.321 ( -0.829 0.725 0.000) 1.101 2.431 ( -6.880 4.622 0.000) 8.289 2.482 ( 0.029 -0.059 0.000) 0.066 2.494 ( -6.080 -0.169 0.000) 6.082 2.960 ( 0.285 3.931 0.000) 3.942 3.064 ( -0.538 0.020 0.000) 0.539 3.119 ( -2.541 -8.314 0.000) 8.693 3.173 ( 5.157 0.227 0.000) 5.162 3.196 ( 5.030 0.167 0.000) 5.033 3.199 ( -0.761 -0.061 0.000) 0.763 3.434 ( 2.494 3.534 0.000) 4.325 3.551 ( 3.695 -7.023 0.000) 7.935 3.633 ( 1.601 0.324 0.000) 1.634 4.082 ( 5.239 8.470 0.000) 9.959 4.307 ( 2.691 -5.089 0.000) 5.756 6.465 ( -2.297 0.901 0.000) 2.468 6.472 ( 2.199 -0.017 0.000) 2.199 6.543 ( -1.293 0.197 0.000) 1.308 6.688 ( -1.203 -0.016 0.000) 1.203 6.883 ( -0.660 0.027 0.000) 0.661 7.146 ( -3.519 -0.377 0.000) 3.539 7.245 ( 4.044 0.695 0.000) 4.103 7.352 ( 3.144 -1.528 0.000) 3.496 7.532 ( 3.554 0.050 0.000) 3.554 7.792 ( 2.749 -0.330 0.000) 2.769 7.796 ( -3.852 2.581 0.000) 4.637 7.855 ( -4.912 -2.068 0.000) 5.330 7.907 ( -2.826 0.707 0.000) 2.913 8.321 ( -1.478 -0.211 0.000) 1.493 8.370 ( 1.649 1.437 0.000) 2.187 8.576 ( 0.844 0.326 0.000) 0.905 8.723 ( 1.936 -0.926 0.000) 2.147 9.622 ( 0.070 -0.022 0.000) 0.074 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -0.195 1.074 0.000) 1.091 1.797 ( 1.547 -0.453 0.000) 1.612 2.209 ( -6.528 -0.310 0.000) 6.535 2.231 ( -1.610 -0.081 0.000) 1.612 2.335 ( -4.084 0.257 0.000) 4.093 2.411 ( -4.215 -3.228 0.000) 5.309 2.488 ( 0.869 0.109 0.000) 0.876 2.931 ( -1.142 1.812 0.000) 2.142 3.061 ( 0.238 -0.047 0.000) 0.243 3.080 ( -3.810 -4.377 0.000) 5.803 3.205 ( 1.275 0.095 0.000) 1.279 3.230 ( 1.862 2.196 0.000) 2.879 3.312 ( 3.937 -1.389 0.000) 4.175 3.449 ( 1.842 4.860 0.000) 5.198 3.606 ( -4.303 -0.454 0.000) 4.327 3.651 ( 1.965 -7.279 0.000) 7.540 4.043 ( -2.204 11.019 0.000) 11.237 4.340 ( -3.129 -4.630 0.000) 5.588 6.404 ( -3.269 -0.802 0.000) 3.366 6.448 ( -4.375 -0.801 0.000) 4.448 6.540 ( 1.079 0.150 0.000) 1.089 6.702 ( 2.191 0.409 0.000) 2.229 6.902 ( 2.210 0.854 0.000) 2.369 7.107 ( -0.887 -1.715 0.000) 1.931 7.284 ( 0.401 2.022 0.000) 2.061 7.407 ( 0.818 -0.459 0.000) 0.938 7.534 ( -3.364 0.131 0.000) 3.366 7.702 ( -2.530 -0.833 0.000) 2.664 7.809 ( -1.470 -0.089 0.000) 1.473 7.838 ( 0.656 -1.767 0.000) 1.885 7.857 ( -1.701 -0.524 0.000) 1.779 8.335 ( 2.796 0.175 0.000) 2.801 8.379 ( 0.318 1.964 0.000) 1.989 8.562 ( -2.214 -0.062 0.000) 2.215 8.734 ( -1.192 -0.759 0.000) 1.413 9.624 ( 0.085 0.029 0.000) 0.090 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -1.662 0.288 0.000) 1.687 1.801 ( -1.374 0.990 0.000) 1.693 2.091 ( -9.951 -5.702 0.000) 11.468 2.151 ( -7.107 -0.198 0.000) 7.110 2.259 ( -2.324 -3.796 0.000) 4.451 2.359 ( -3.712 -5.759 0.000) 6.852 2.555 ( 6.897 1.289 0.000) 7.016 2.883 ( -3.838 0.015 0.000) 3.838 3.043 ( -0.774 0.478 0.000) 0.910 3.069 ( 0.285 -0.385 0.000) 0.479 3.236 ( 0.233 2.377 0.000) 2.388 3.241 ( 2.346 0.264 0.000) 2.361 3.334 ( -1.762 -0.302 0.000) 1.787 3.457 ( 1.453 5.208 0.000) 5.407 3.479 ( -9.017 -1.655 0.000) 9.168 3.685 ( -2.781 -3.586 0.000) 4.538 3.893 ( -7.006 9.136 0.000) 11.513 4.248 ( -6.839 -2.006 0.000) 7.127 6.347 ( -5.845 -1.172 0.000) 5.961 6.363 ( -1.725 -2.651 0.000) 3.162 6.580 ( 2.783 -0.005 0.000) 2.783 6.737 ( 1.162 0.376 0.000) 1.221 6.941 ( 2.273 1.259 0.000) 2.598 7.120 ( -0.428 -3.473 0.000) 3.499 7.235 ( -3.646 1.258 0.000) 3.857 7.398 ( 0.328 2.875 0.000) 2.894 7.402 ( -9.732 0.253 0.000) 9.735 7.718 ( 1.029 -4.698 0.000) 4.810 7.747 ( -3.781 1.201 0.000) 3.967 7.852 ( -0.147 -2.944 0.000) 2.948 7.890 ( 3.525 -1.730 0.000) 3.927 8.355 ( -1.983 2.780 0.000) 3.415 8.415 ( 5.173 0.611 0.000) 5.209 8.502 ( -3.198 -0.800 0.000) 3.297 8.692 ( -3.260 -0.659 0.000) 3.325 9.626 ( 0.213 0.056 0.000) 0.220 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -4.205 1.568 0.000) 4.488 1.728 ( -5.696 -0.122 0.000) 5.698 1.843 ( -17.315 -3.078 0.000) 17.587 1.980 ( -9.424 -1.222 0.000) 9.503 2.281 ( -2.007 -7.212 0.000) 7.486 2.357 ( -0.469 -12.550 0.000) 12.559 2.710 ( 8.984 4.047 0.000) 9.854 2.782 ( -6.268 -0.558 0.000) 6.292 3.024 ( -1.187 3.989 0.000) 4.162 3.063 ( -2.340 -1.934 0.000) 3.036 3.194 ( -3.966 2.793 0.000) 4.850 3.282 ( 0.076 0.022 0.000) 0.080 3.285 ( -2.061 0.611 0.000) 2.150 3.308 ( -6.275 -1.779 0.000) 6.523 3.419 ( -2.278 5.640 0.000) 6.082 3.571 ( -9.834 1.382 0.000) 9.930 3.644 ( -12.514 6.176 0.000) 13.955 4.170 ( -1.038 -0.223 0.000) 1.062 6.248 ( -4.753 -1.013 0.000) 4.859 6.369 ( 0.417 -3.269 0.000) 3.296 6.627 ( 0.801 -0.259 0.000) 0.841 6.735 ( -1.245 0.055 0.000) 1.247 6.963 ( -1.392 -1.312 0.000) 1.912 7.076 ( -3.476 -0.771 0.000) 3.560 7.173 ( -12.332 0.324 0.000) 12.336 7.189 ( -2.224 -2.992 0.000) 3.728 7.418 ( 3.318 1.942 0.000) 3.845 7.661 ( -3.840 2.333 0.000) 4.493 7.756 ( -0.114 -4.895 0.000) 4.896 7.880 ( 0.786 -4.505 0.000) 4.573 7.986 ( 4.923 -1.531 0.000) 5.155 8.238 ( -7.867 2.321 0.000) 8.202 8.496 ( 2.122 -0.364 0.000) 2.153 8.517 ( 5.529 1.011 0.000) 5.621 8.627 ( -3.210 -0.267 0.000) 3.221 9.635 ( 0.797 -0.041 0.000) 0.798 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -14.178 4.609 0.000) 14.909 1.477 ( -20.069 1.378 0.000) 20.116 1.636 ( -3.613 -2.579 0.000) 4.439 1.845 ( -5.622 -2.991 0.000) 6.368 2.250 ( -4.376 -5.932 0.000) 7.371 2.426 ( -2.935 -13.781 0.000) 14.090 2.646 ( -8.403 0.622 0.000) 8.426 2.752 ( -6.239 1.139 0.000) 6.342 2.880 ( -12.136 8.175 0.000) 14.633 3.028 ( 1.644 0.536 0.000) 1.729 3.034 ( -9.122 3.298 0.000) 9.700 3.207 ( -15.859 3.495 0.000) 16.240 3.224 ( -0.563 -0.979 0.000) 1.130 3.273 ( 1.473 1.552 0.000) 2.139 3.330 ( 2.023 0.479 0.000) 2.079 3.367 ( -4.389 0.290 0.000) 4.399 3.501 ( -1.475 2.812 0.000) 3.175 4.182 ( 1.966 2.330 0.000) 3.048 6.179 ( -2.787 -0.494 0.000) 2.831 6.410 ( 1.762 -2.838 0.000) 3.340 6.526 ( -13.057 -0.145 0.000) 13.057 6.691 ( -3.148 -0.331 0.000) 3.165 6.850 ( -11.199 -6.013 0.000) 12.712 7.009 ( -2.449 0.239 0.000) 2.461 7.064 ( -0.619 -1.120 0.000) 1.279 7.172 ( -0.291 -4.662 0.000) 4.671 7.471 ( 0.731 -2.078 0.000) 2.202 7.574 ( -3.261 3.429 0.000) 4.732 7.774 ( -0.886 -2.580 0.000) 2.728 7.931 ( 1.439 -5.249 0.000) 5.442 8.015 ( -4.103 2.465 0.000) 4.787 8.147 ( 3.201 -1.132 0.000) 3.395 8.531 ( -0.234 1.432 0.000) 1.451 8.612 ( 4.809 1.402 0.000) 5.010 8.613 ( 3.203 -0.249 0.000) 3.213 9.660 ( 1.657 -0.280 0.000) 1.681 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -17.669 9.136 0.000) 19.891 1.095 ( -18.262 6.776 0.000) 19.478 1.616 ( -0.976 -5.804 0.000) 5.886 1.782 ( -2.306 -2.118 0.000) 3.131 2.142 ( -15.426 5.546 0.000) 16.393 2.266 ( -12.944 0.945 0.000) 12.979 2.421 ( -12.980 3.075 0.000) 13.340 2.526 ( -15.168 -4.654 0.000) 15.866 2.580 ( -8.397 0.019 0.000) 8.397 2.890 ( -4.618 -1.197 0.000) 4.770 2.974 ( -8.749 -2.477 0.000) 9.093 3.092 ( 5.087 6.645 0.000) 8.368 3.246 ( 1.486 -1.401 0.000) 2.042 3.262 ( -6.879 -4.401 0.000) 8.166 3.317 ( 3.183 1.613 0.000) 3.568 3.361 ( 1.492 0.909 0.000) 1.747 3.550 ( 6.963 0.971 0.000) 7.030 4.200 ( 1.970 5.490 0.000) 5.833 6.126 ( -6.794 0.132 0.000) 6.795 6.204 ( -13.094 0.616 0.000) 13.108 6.448 ( -1.620 -4.192 0.000) 4.494 6.621 ( -4.054 -0.657 0.000) 4.107 6.623 ( -15.963 -11.237 0.000) 19.522 7.029 ( 2.752 -0.145 0.000) 2.756 7.043 ( -1.336 -1.585 0.000) 2.073 7.243 ( 3.325 -6.249 0.000) 7.079 7.459 ( -3.168 -4.856 0.000) 5.798 7.497 ( -2.342 4.129 0.000) 4.747 7.685 ( -8.100 -0.516 0.000) 8.117 7.991 ( 1.476 -5.167 0.000) 5.374 8.010 ( 5.356 3.785 0.000) 6.559 8.243 ( 4.523 -0.747 0.000) 4.585 8.505 ( -0.390 2.726 0.000) 2.754 8.685 ( 3.478 1.739 0.000) 3.888 8.706 ( 5.076 0.377 0.000) 5.090 9.701 ( 2.117 -0.573 0.000) 2.193 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -16.592 10.733 0.000) 19.761 0.738 ( -4.749 22.269 0.000) 22.770 1.517 ( -29.120 26.534 0.000) 39.396 1.639 ( -1.300 -6.693 0.000) 6.818 1.810 ( 4.963 -1.619 0.000) 5.220 2.153 ( -8.415 1.385 0.000) 8.528 2.194 ( -3.396 -0.951 0.000) 3.527 2.265 ( -14.378 -7.384 0.000) 16.163 2.461 ( -5.771 -2.320 0.000) 6.220 2.842 ( -3.988 -3.443 0.000) 5.269 2.867 ( -2.618 -2.370 0.000) 3.531 3.125 ( 2.746 8.530 0.000) 8.962 3.179 ( -4.174 -7.389 0.000) 8.486 3.283 ( 1.195 -1.481 0.000) 1.903 3.375 ( 2.925 -0.077 0.000) 2.926 3.377 ( 0.745 1.208 0.000) 1.419 3.747 ( 14.050 0.300 0.000) 14.053 4.191 ( 1.014 7.691 0.000) 7.757 5.838 ( -13.022 1.199 0.000) 13.077 6.151 ( 0.073 0.808 0.000) 0.811 6.185 ( -30.556 -18.360 0.000) 35.648 6.532 ( -0.081 -1.614 0.000) 1.616 6.553 ( -3.008 -0.910 0.000) 3.142 7.041 ( -0.184 -2.157 0.000) 2.165 7.082 ( 2.026 -0.392 0.000) 2.064 7.340 ( 3.174 -2.608 0.000) 4.109 7.437 ( -1.236 4.185 0.000) 4.364 7.448 ( -0.860 -7.530 0.000) 7.579 7.545 ( -6.014 -2.930 0.000) 6.690 8.044 ( 0.890 -4.566 0.000) 4.652 8.092 ( 4.415 5.330 0.000) 6.921 8.314 ( 2.428 0.516 0.000) 2.482 8.497 ( 1.431 2.081 0.000) 2.526 8.726 ( 1.800 1.916 0.000) 2.628 8.786 ( 3.294 1.130 0.000) 3.482 9.742 ( 1.541 -0.777 0.000) 1.726 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 16.415 0.000) 16.415 0.655 ( 0.000 27.184 0.000) 27.184 0.901 ( 0.000 37.855 0.000) 37.855 1.651 ( -0.000 -4.224 0.000) 4.224 1.921 ( 0.000 0.391 0.000) 0.391 2.042 ( 0.000 1.910 0.000) 1.910 2.127 ( -0.000 -11.921 0.000) 11.921 2.186 ( -0.000 -1.733 0.000) 1.733 2.407 ( -0.000 -1.115 0.000) 1.115 2.803 ( -0.000 -2.872 0.000) 2.872 2.860 ( -0.000 -1.600 0.000) 1.600 3.101 ( 0.000 9.331 0.000) 9.331 3.187 ( -0.000 -7.540 0.000) 7.540 3.304 ( -0.000 -1.512 0.000) 1.512 3.377 ( 0.000 1.096 0.000) 1.096 3.415 ( -0.000 -1.633 0.000) 1.633 4.043 ( -0.000 -8.707 0.000) 8.707 4.155 ( 0.000 7.960 0.000) 7.960 5.695 ( 0.000 1.370 0.000) 1.370 5.704 ( 0.000 0.223 0.000) 0.223 6.148 ( 0.000 0.965 0.000) 0.965 6.527 ( -0.000 -0.938 0.000) 0.938 6.540 ( -0.000 -0.904 0.000) 0.904 7.053 ( -0.000 -2.211 0.000) 2.211 7.105 ( -0.000 -0.415 0.000) 0.415 7.381 ( 0.000 0.212 0.000) 0.212 7.402 ( 0.000 3.593 0.000) 3.593 7.458 ( 0.000 0.286 0.000) 0.286 7.551 ( -0.000 -15.143 0.000) 15.143 8.077 ( -0.000 -3.824 0.000) 3.824 8.101 ( 0.000 6.762 0.000) 6.762 8.329 ( 0.000 1.548 0.000) 1.548 8.528 ( -0.000 -1.459 0.000) 1.459 8.732 ( 0.000 1.841 0.000) 1.841 8.813 ( 0.000 1.355 0.000) 1.355 9.763 ( -0.000 -0.775 0.000) 0.775 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 2.377 0.000 0.000) 2.377 1.757 ( -0.386 -0.000 0.000) 0.386 2.236 ( 1.321 0.000 0.000) 1.321 2.324 ( -0.537 -0.000 0.000) 0.537 2.465 ( -5.252 -0.000 0.000) 5.252 2.482 ( 0.085 0.000 0.000) 0.085 2.488 ( -10.252 -0.000 0.000) 10.252 3.007 ( -1.457 -0.000 0.000) 1.457 3.044 ( 0.249 0.000 0.000) 0.249 3.064 ( -0.557 -0.000 0.000) 0.557 3.176 ( 6.078 0.000 0.000) 6.078 3.196 ( 4.012 0.000 0.000) 4.012 3.199 ( -0.723 -0.000 0.000) 0.723 3.482 ( 3.478 0.000 0.000) 3.478 3.484 ( 3.145 0.000 0.000) 3.145 3.635 ( 1.422 0.000 0.000) 1.422 4.144 ( 7.881 0.000 0.000) 7.881 4.264 ( 0.507 0.000 0.000) 0.507 6.470 ( -2.700 -0.000 0.000) 2.700 6.472 ( 2.008 0.000 0.000) 2.008 6.545 ( -1.307 -0.000 0.000) 1.307 6.688 ( -1.096 -0.000 0.000) 1.096 6.883 ( -0.583 -0.000 0.000) 0.583 7.143 ( -3.622 -0.000 0.000) 3.622 7.250 ( 4.483 0.000 0.000) 4.483 7.342 ( 2.939 0.000 0.000) 2.939 7.532 ( 3.550 0.000 0.000) 3.550 7.790 ( 2.736 0.000 0.000) 2.736 7.820 ( -0.873 -0.000 0.000) 0.873 7.834 ( -8.379 -0.000 0.000) 8.379 7.911 ( -3.040 -0.000 0.000) 3.040 8.320 ( -1.370 -0.000 0.000) 1.370 8.379 ( 1.637 0.000 0.000) 1.637 8.578 ( 0.712 0.000 0.000) 0.712 8.717 ( 2.113 0.000 0.000) 2.113 9.622 ( 0.082 0.000 0.000) 0.082 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -1.089 0.592 0.000) 1.239 1.791 ( 2.874 -0.366 0.000) 2.897 2.210 ( -9.096 0.166 0.000) 9.097 2.231 ( -1.658 -0.031 0.000) 1.658 2.346 ( -5.100 1.609 0.000) 5.347 2.375 ( -4.844 -2.809 0.000) 5.599 2.489 ( 1.006 0.041 0.000) 1.006 2.953 ( -2.654 1.596 0.000) 3.097 3.036 ( -0.955 -2.629 0.000) 2.797 3.061 ( 0.192 -0.018 0.000) 0.192 3.206 ( 1.343 0.035 0.000) 1.343 3.250 ( 1.731 1.156 0.000) 2.081 3.298 ( 4.266 -0.836 0.000) 4.347 3.506 ( 2.299 5.146 0.000) 5.636 3.574 ( 2.758 -5.979 0.000) 6.584 3.603 ( -4.693 -0.163 0.000) 4.696 4.158 ( -2.663 8.401 0.000) 8.813 4.275 ( -2.415 -6.178 0.000) 6.634 6.398 ( -4.032 -0.269 0.000) 4.041 6.441 ( -4.572 -0.312 0.000) 4.583 6.542 ( 1.035 0.064 0.000) 1.037 6.705 ( 2.243 0.161 0.000) 2.248 6.910 ( 2.762 0.413 0.000) 2.793 7.092 ( -1.743 -0.745 0.000) 1.896 7.303 ( 0.369 0.988 0.000) 1.055 7.400 ( 2.404 -0.490 0.000) 2.454 7.535 ( -3.303 0.057 0.000) 3.304 7.696 ( -4.689 -0.207 0.000) 4.694 7.807 ( -0.939 -0.106 0.000) 0.945 7.823 ( 1.077 -0.723 0.000) 1.298 7.853 ( -2.687 -0.121 0.000) 2.690 8.336 ( 2.955 0.058 0.000) 2.955 8.396 ( 0.449 0.852 0.000) 0.963 8.562 ( -2.411 0.006 0.000) 2.411 8.727 ( -1.154 -0.389 0.000) 1.218 9.624 ( 0.106 0.010 0.000) 0.106 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -1.694 0.167 0.000) 1.702 1.810 ( -1.448 0.547 0.000) 1.548 2.035 ( -10.036 -3.615 0.000) 10.667 2.149 ( -7.219 -0.112 0.000) 7.220 2.234 ( -5.224 -0.803 0.000) 5.285 2.302 ( -4.720 -4.007 0.000) 6.191 2.567 ( 7.913 0.784 0.000) 7.952 2.881 ( -4.674 -0.277 0.000) 4.682 3.052 ( 1.883 0.830 0.000) 2.058 3.066 ( -0.052 -0.243 0.000) 0.249 3.244 ( 2.389 0.149 0.000) 2.393 3.256 ( -0.241 1.187 0.000) 1.211 3.331 ( -0.976 -0.232 0.000) 1.003 3.463 ( -9.481 -0.962 0.000) 9.529 3.512 ( 0.727 4.216 0.000) 4.279 3.640 ( 0.186 -3.713 0.000) 3.717 3.990 ( -9.789 6.961 0.000) 12.012 4.218 ( -5.062 -2.868 0.000) 5.818 6.336 ( -5.819 -0.716 0.000) 5.863 6.339 ( -2.150 -1.467 0.000) 2.603 6.580 ( 2.701 0.035 0.000) 2.701 6.740 ( 1.028 0.230 0.000) 1.054 6.959 ( 2.412 1.760 0.000) 2.986 7.080 ( -1.099 -3.170 0.000) 3.355 7.247 ( -4.795 0.775 0.000) 4.857 7.405 ( -9.694 0.188 0.000) 9.696 7.427 ( 1.204 2.124 0.000) 2.442 7.670 ( 0.151 -3.284 0.000) 3.288 7.761 ( -2.996 1.268 0.000) 3.253 7.821 ( -1.197 -2.270 0.000) 2.567 7.876 ( 3.892 -0.751 0.000) 3.964 8.383 ( -1.830 1.856 0.000) 2.606 8.420 ( 5.301 0.319 0.000) 5.310 8.495 ( -3.426 -0.447 0.000) 3.455 8.684 ( -3.312 -0.704 0.000) 3.386 9.627 ( 0.198 0.031 0.000) 0.200 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -2.591 1.177 0.000) 2.846 1.727 ( -6.794 -0.079 0.000) 6.794 1.822 ( -13.466 -0.519 0.000) 13.476 1.968 ( -10.536 -0.919 0.000) 10.576 2.195 ( -1.360 -8.152 0.000) 8.265 2.240 ( -4.607 -6.738 0.000) 8.162 2.755 ( 10.743 3.532 0.000) 11.309 2.774 ( -6.314 -0.642 0.000) 6.346 3.039 ( -4.260 -2.018 0.000) 4.714 3.071 ( 0.123 3.755 0.000) 3.757 3.218 ( -3.743 1.295 0.000) 3.960 3.278 ( -5.853 -0.855 0.000) 5.915 3.292 ( -1.737 0.536 0.000) 1.818 3.294 ( 0.265 -0.433 0.000) 0.508 3.472 ( -2.910 3.421 0.000) 4.491 3.583 ( -7.656 0.690 0.000) 7.687 3.705 ( -15.029 4.164 0.000) 15.595 4.168 ( 0.028 -0.111 0.000) 0.114 6.237 ( -4.516 -0.779 0.000) 4.582 6.336 ( 0.625 -2.303 0.000) 2.387 6.625 ( 0.672 -0.148 0.000) 0.688 6.736 ( -1.413 0.067 0.000) 1.415 6.957 ( -3.713 0.239 0.000) 3.720 7.056 ( -2.324 -2.580 0.000) 3.473 7.161 ( -3.588 -1.656 0.000) 3.952 7.177 ( -12.288 0.289 0.000) 12.292 7.442 ( 1.707 2.006 0.000) 2.634 7.690 ( -2.976 2.698 0.000) 4.017 7.705 ( 1.023 -3.823 0.000) 3.958 7.829 ( 0.046 -4.228 0.000) 4.228 7.976 ( 5.672 -0.437 0.000) 5.689 8.260 ( -8.708 1.516 0.000) 8.839 8.494 ( 2.791 0.070 0.000) 2.792 8.527 ( 5.649 0.649 0.000) 5.686 8.620 ( -3.267 -0.902 0.000) 3.389 9.635 ( 0.710 -0.029 0.000) 0.710 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -13.651 3.159 0.000) 14.012 1.529 ( -13.897 7.448 0.000) 15.767 1.617 ( -3.888 -0.290 0.000) 3.899 1.806 ( -6.391 -3.579 0.000) 7.325 2.185 ( -3.660 -5.184 0.000) 6.346 2.256 ( -1.533 -15.255 0.000) 15.332 2.645 ( -7.546 -0.478 0.000) 7.561 2.764 ( -11.269 0.945 0.000) 11.308 2.964 ( -8.728 6.469 0.000) 10.864 3.033 ( 6.694 0.344 0.000) 6.703 3.071 ( -9.764 2.621 0.000) 10.110 3.214 ( -0.503 -0.780 0.000) 0.928 3.263 ( -18.065 5.585 0.000) 18.909 3.290 ( 0.857 1.444 0.000) 1.679 3.335 ( 2.202 0.347 0.000) 2.229 3.361 ( -7.556 -1.099 0.000) 7.635 3.522 ( -2.636 0.784 0.000) 2.750 4.207 ( 3.611 1.957 0.000) 4.108 6.173 ( -2.395 -0.399 0.000) 2.428 6.381 ( 2.320 -2.108 0.000) 3.135 6.524 ( -12.778 -0.186 0.000) 12.780 6.688 ( -3.358 -0.219 0.000) 3.365 6.786 ( -14.082 -4.821 0.000) 14.885 7.011 ( -2.660 0.220 0.000) 2.669 7.052 ( -0.736 -0.946 0.000) 1.199 7.117 ( -1.752 -4.453 0.000) 4.785 7.455 ( -0.609 -0.674 0.000) 0.909 7.617 ( -2.422 4.038 0.000) 4.708 7.748 ( 0.744 -1.835 0.000) 1.980 7.869 ( 1.053 -5.448 0.000) 5.549 8.044 ( -2.506 2.495 0.000) 3.537 8.135 ( 2.148 -1.178 0.000) 2.450 8.544 ( 0.144 0.894 0.000) 0.906 8.607 ( 3.442 -0.842 0.000) 3.544 8.626 ( 4.944 1.041 0.000) 5.052 9.657 ( 1.509 -0.225 0.000) 1.525 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -17.046 5.300 0.000) 17.851 1.224 ( -9.151 16.938 0.000) 19.252 1.558 ( -2.966 -3.841 0.000) 4.853 1.752 ( -1.466 -2.985 0.000) 3.326 2.138 ( -4.827 -3.513 0.000) 5.970 2.250 ( -7.931 -5.820 0.000) 9.837 2.452 ( -12.111 2.034 0.000) 12.281 2.482 ( -16.282 -3.005 0.000) 16.557 2.642 ( -15.439 10.031 0.000) 18.412 2.882 ( -6.735 -0.218 0.000) 6.739 2.957 ( -10.181 -0.069 0.000) 10.181 3.157 ( 6.015 4.561 0.000) 7.549 3.203 ( -9.254 -5.601 0.000) 10.817 3.231 ( 1.361 -1.190 0.000) 1.808 3.334 ( 2.610 1.342 0.000) 2.935 3.373 ( 1.951 1.027 0.000) 2.205 3.543 ( 4.305 -2.021 0.000) 4.756 4.261 ( 3.543 4.895 0.000) 6.042 6.131 ( -5.557 0.709 0.000) 5.602 6.207 ( -13.505 -0.062 0.000) 13.506 6.397 ( -9.242 -4.386 0.000) 10.229 6.519 ( -10.168 -6.851 0.000) 12.261 6.614 ( -4.245 -0.620 0.000) 4.290 7.025 ( -1.749 -1.579 0.000) 2.356 7.028 ( 2.538 -0.150 0.000) 2.542 7.162 ( 2.078 -7.136 0.000) 7.433 7.424 ( -2.691 -1.580 0.000) 3.120 7.550 ( -1.705 5.085 0.000) 5.363 7.679 ( -7.750 -0.517 0.000) 7.767 7.927 ( 1.398 -5.843 0.000) 6.008 8.048 ( 5.567 2.813 0.000) 6.238 8.233 ( 4.856 -0.948 0.000) 4.948 8.526 ( -0.561 1.194 0.000) 1.319 8.703 ( 3.605 1.464 0.000) 3.891 8.709 ( 5.525 0.177 0.000) 5.528 9.694 ( 1.958 -0.519 0.000) 2.025 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -14.070 9.000 0.000) 16.702 1.019 ( 1.560 25.195 0.000) 25.244 1.552 ( -1.317 -7.805 0.000) 7.916 1.790 ( 4.462 -1.826 0.000) 4.821 1.801 ( -21.822 21.848 0.000) 30.879 2.153 ( -2.794 -0.786 0.000) 2.903 2.195 ( -14.848 -4.589 0.000) 15.541 2.205 ( -8.737 2.407 0.000) 9.063 2.434 ( -5.725 -2.095 0.000) 6.096 2.803 ( -4.566 -3.087 0.000) 5.511 2.837 ( -2.207 -2.612 0.000) 3.419 3.085 ( -6.115 -8.706 0.000) 10.639 3.206 ( 2.269 4.935 0.000) 5.432 3.270 ( 1.637 -0.446 0.000) 1.696 3.377 ( 2.008 0.230 0.000) 2.021 3.395 ( 1.146 2.005 0.000) 2.310 3.709 ( 9.945 -6.267 0.000) 11.755 4.280 ( 1.935 7.424 0.000) 7.672 5.853 ( -12.620 1.411 0.000) 12.699 6.030 ( -25.465 -9.322 0.000) 27.118 6.159 ( 0.335 0.628 0.000) 0.712 6.513 ( 0.749 -1.582 0.000) 1.750 6.542 ( -3.200 -1.004 0.000) 3.354 7.015 ( -0.515 -2.293 0.000) 2.350 7.076 ( 1.892 -0.466 0.000) 1.949 7.263 ( 3.004 -9.805 0.000) 10.255 7.393 ( -1.096 -1.494 0.000) 1.853 7.494 ( -0.913 5.519 0.000) 5.594 7.532 ( -6.411 -0.297 0.000) 6.418 7.985 ( 0.933 -5.591 0.000) 5.668 8.142 ( 4.589 3.587 0.000) 5.825 8.315 ( 2.918 -0.416 0.000) 2.947 8.512 ( -0.196 0.768 0.000) 0.793 8.748 ( 1.878 1.819 0.000) 2.614 8.799 ( 3.667 1.031 0.000) 3.809 9.733 ( 1.439 -0.791 0.000) 1.642 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 13.371 0.000) 13.371 0.957 ( 0.000 24.842 0.000) 24.842 1.324 ( 0.000 35.362 0.000) 35.362 1.584 ( -0.000 -7.403 0.000) 7.403 1.926 ( 0.000 0.467 0.000) 0.467 2.001 ( -0.000 -9.260 0.000) 9.260 2.067 ( 0.000 2.351 0.000) 2.351 2.167 ( -0.000 -1.232 0.000) 1.232 2.388 ( -0.000 -2.209 0.000) 2.209 2.766 ( -0.000 -3.335 0.000) 3.335 2.838 ( -0.000 -2.258 0.000) 2.258 3.083 ( -0.000 -10.059 0.000) 10.059 3.196 ( 0.000 6.582 0.000) 6.582 3.290 ( -0.000 -0.762 0.000) 0.762 3.394 ( 0.000 1.933 0.000) 1.933 3.401 ( -0.000 -0.813 0.000) 0.813 3.921 ( -0.000 -12.170 0.000) 12.170 4.252 ( 0.000 8.528 0.000) 8.528 5.707 ( 0.000 0.315 0.000) 0.315 5.713 ( 0.000 1.706 0.000) 1.706 6.160 ( 0.000 1.009 0.000) 1.009 6.515 ( -0.000 -1.185 0.000) 1.185 6.528 ( -0.000 -1.127 0.000) 1.127 7.025 ( -0.000 -2.556 0.000) 2.556 7.099 ( -0.000 -0.563 0.000) 0.563 7.379 ( -0.000 -14.228 0.000) 14.228 7.384 ( 0.000 0.279 0.000) 0.279 7.453 ( 0.000 5.182 0.000) 5.182 7.461 ( 0.000 0.318 0.000) 0.318 8.025 ( -0.000 -5.087 0.000) 5.087 8.165 ( 0.000 4.466 0.000) 4.466 8.343 ( 0.000 0.691 0.000) 0.691 8.514 ( -0.000 -0.942 0.000) 0.942 8.755 ( 0.000 1.990 0.000) 1.990 8.829 ( 0.000 1.428 0.000) 1.428 9.753 ( -0.000 -0.899 0.000) 0.899 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -1.711 -0.000 0.000) 1.711 1.814 ( -1.475 -0.000 0.000) 1.475 2.014 ( -10.306 -0.000 0.000) 10.306 2.148 ( -7.257 -0.000 0.000) 7.257 2.233 ( -6.394 -0.000 0.000) 6.394 2.275 ( -4.729 -0.000 0.000) 4.729 2.572 ( 8.306 0.000 0.000) 8.306 2.879 ( -4.923 -0.000 0.000) 4.923 3.057 ( 2.844 0.000 0.000) 2.844 3.064 ( -0.189 -0.000 0.000) 0.189 3.245 ( 2.405 0.000 0.000) 2.405 3.263 ( -0.536 -0.000 0.000) 0.536 3.329 ( -0.625 -0.000 0.000) 0.625 3.458 ( -9.657 -0.000 0.000) 9.657 3.543 ( -0.636 -0.000 0.000) 0.636 3.612 ( 2.277 0.000 0.000) 2.277 4.036 ( -12.164 -0.000 0.000) 12.164 4.197 ( -2.999 -0.000 0.000) 2.999 6.331 ( -2.312 -0.000 0.000) 2.312 6.332 ( -5.807 -0.000 0.000) 5.807 6.581 ( 2.670 0.000 0.000) 2.670 6.742 ( 0.978 0.000 0.000) 0.978 6.973 ( 3.029 0.000 0.000) 3.029 7.058 ( -1.995 -0.000 0.000) 1.995 7.251 ( -5.149 -0.000 0.000) 5.149 7.406 ( -9.680 -0.000 0.000) 9.680 7.441 ( 1.671 0.000 0.000) 1.671 7.649 ( -0.269 -0.000 0.000) 0.269 7.771 ( -2.325 -0.000 0.000) 2.325 7.806 ( -1.961 -0.000 0.000) 1.961 7.872 ( 4.058 0.000 0.000) 4.058 8.394 ( -1.812 -0.000 0.000) 1.812 8.422 ( 5.344 0.000 0.000) 5.344 8.492 ( -3.501 -0.000 0.000) 3.501 8.679 ( -3.348 -0.000 0.000) 3.348 9.627 ( 0.192 0.000 0.000) 0.192 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -1.606 0.444 0.000) 1.666 1.726 ( -7.341 -0.031 0.000) 7.341 1.825 ( -8.952 0.549 0.000) 8.968 1.960 ( -11.285 -0.345 0.000) 11.291 2.116 ( -5.952 -4.142 0.000) 7.251 2.194 ( -4.087 -1.840 0.000) 4.482 2.768 ( -6.316 -0.259 0.000) 6.321 2.786 ( 12.557 1.532 0.000) 12.650 3.021 ( -6.238 -0.987 0.000) 6.316 3.104 ( 0.964 1.627 0.000) 1.891 3.225 ( -3.740 0.190 0.000) 3.745 3.269 ( -7.531 -0.458 0.000) 7.545 3.293 ( 2.342 -0.010 0.000) 2.342 3.297 ( -1.582 0.251 0.000) 1.601 3.498 ( -3.780 1.145 0.000) 3.950 3.587 ( -6.076 0.174 0.000) 6.079 3.738 ( -16.468 1.477 0.000) 16.534 4.168 ( 0.768 -0.028 0.000) 0.769 6.231 ( -4.365 -0.293 0.000) 4.375 6.317 ( 0.749 -0.830 0.000) 1.118 6.624 ( 0.580 -0.046 0.000) 0.582 6.736 ( -1.504 0.029 0.000) 1.504 6.967 ( -6.899 1.048 0.000) 6.978 7.025 ( 0.376 -2.183 0.000) 2.215 7.150 ( -4.584 -0.374 0.000) 4.599 7.180 ( -12.278 0.116 0.000) 12.278 7.460 ( 0.599 0.927 0.000) 1.103 7.673 ( 2.091 -1.511 0.000) 2.579 7.720 ( -2.145 2.219 0.000) 3.087 7.787 ( -0.699 -2.771 0.000) 2.857 7.974 ( 6.055 -0.070 0.000) 6.055 8.272 ( -9.246 0.507 0.000) 9.260 8.496 ( 3.212 0.152 0.000) 3.216 8.532 ( 5.713 0.222 0.000) 5.717 8.611 ( -3.386 -0.503 0.000) 3.423 9.635 ( 0.662 -0.011 0.000) 0.662 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -13.614 0.427 0.000) 13.621 1.634 ( -2.640 2.778 0.000) 3.832 1.640 ( -6.872 10.981 0.000) 12.954 1.764 ( -8.079 -3.575 0.000) 8.834 2.073 ( -4.258 -14.398 0.000) 15.015 2.145 ( -1.945 -3.078 0.000) 3.642 2.639 ( -7.360 -0.526 0.000) 7.379 2.773 ( -14.910 0.543 0.000) 14.920 3.028 ( -7.068 4.286 0.000) 8.266 3.036 ( 10.287 0.153 0.000) 10.288 3.092 ( -9.871 1.062 0.000) 9.928 3.207 ( -0.427 -0.438 0.000) 0.612 3.298 ( 0.355 0.816 0.000) 0.890 3.316 ( -16.382 1.083 0.000) 16.418 3.338 ( 2.347 0.182 0.000) 2.354 3.360 ( -11.229 2.219 0.000) 11.447 3.521 ( -4.094 -0.784 0.000) 4.168 4.225 ( 4.693 1.106 0.000) 4.822 6.170 ( -2.064 -0.222 0.000) 2.076 6.363 ( 2.936 -1.086 0.000) 3.131 6.522 ( -12.626 -0.129 0.000) 12.627 6.686 ( -3.527 -0.102 0.000) 3.529 6.742 ( -16.081 -2.655 0.000) 16.298 7.014 ( -2.827 0.132 0.000) 2.830 7.042 ( -0.101 -0.869 0.000) 0.874 7.076 ( -3.268 -2.334 0.000) 4.016 7.452 ( -1.314 -0.065 0.000) 1.316 7.665 ( -1.580 4.108 0.000) 4.401 7.732 ( 1.751 -0.984 0.000) 2.009 7.809 ( 0.560 -4.872 0.000) 4.905 8.072 ( -1.446 2.362 0.000) 2.769 8.119 ( 1.191 -1.586 0.000) 1.983 8.553 ( -0.554 0.724 0.000) 0.912 8.596 ( 4.522 -0.960 0.000) 4.622 8.636 ( 5.034 0.547 0.000) 5.064 9.655 ( 1.407 -0.124 0.000) 1.413 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -16.510 2.043 0.000) 16.636 1.444 ( -3.249 20.425 0.000) 20.682 1.536 ( -5.045 0.133 0.000) 5.047 1.714 ( -0.375 -3.495 0.000) 3.515 2.070 ( -3.848 -9.921 0.000) 10.641 2.163 ( -0.260 -6.493 0.000) 6.498 2.455 ( -16.896 -1.652 0.000) 16.977 2.465 ( -11.127 0.249 0.000) 11.129 2.768 ( -15.425 10.179 0.000) 18.481 2.882 ( -8.981 0.060 0.000) 8.981 2.978 ( -12.544 3.568 0.000) 13.042 3.135 ( -11.408 -5.958 0.000) 12.870 3.197 ( 5.867 2.415 0.000) 6.344 3.220 ( 1.672 -0.722 0.000) 1.821 3.347 ( 2.279 0.797 0.000) 2.414 3.384 ( 2.649 0.913 0.000) 2.802 3.508 ( 1.231 -3.710 0.000) 3.909 4.310 ( 4.721 3.344 0.000) 5.785 6.141 ( -3.441 0.972 0.000) 3.575 6.203 ( -14.944 -0.545 0.000) 14.954 6.354 ( -17.347 -2.825 0.000) 17.575 6.459 ( -2.150 -3.786 0.000) 4.354 6.608 ( -4.427 -0.441 0.000) 4.449 7.009 ( -2.138 -1.130 0.000) 2.419 7.026 ( 2.343 -0.114 0.000) 2.346 7.089 ( 0.898 -5.229 0.000) 5.305 7.414 ( -2.235 -0.373 0.000) 2.266 7.612 ( -1.017 5.498 0.000) 5.591 7.674 ( -7.374 -0.379 0.000) 7.383 7.859 ( 1.209 -5.927 0.000) 6.049 8.075 ( 5.444 1.856 0.000) 5.752 8.222 ( 4.905 -0.950 0.000) 4.996 8.535 ( -0.617 0.456 0.000) 0.768 8.710 ( 5.950 0.015 0.000) 5.950 8.717 ( 3.708 0.954 0.000) 3.828 9.689 ( 1.831 -0.355 0.000) 1.866 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -12.824 4.803 0.000) 13.694 1.302 ( 2.058 23.353 0.000) 23.444 1.474 ( -2.528 -5.189 0.000) 5.772 1.768 ( 4.444 -1.973 0.000) 4.863 1.985 ( -8.841 8.068 0.000) 11.969 2.153 ( -1.544 1.063 0.000) 1.874 2.156 ( -14.583 -2.414 0.000) 14.781 2.240 ( -9.407 3.199 0.000) 9.936 2.429 ( -10.261 2.650 0.000) 10.597 2.775 ( -4.599 -1.732 0.000) 4.914 2.810 ( -3.347 -1.972 0.000) 3.884 2.984 ( -7.685 -8.479 0.000) 11.443 3.230 ( 0.731 -0.073 0.000) 0.735 3.281 ( 2.604 1.766 0.000) 3.146 3.380 ( 1.352 0.252 0.000) 1.375 3.423 ( 2.030 2.656 0.000) 3.343 3.615 ( 5.445 -9.454 0.000) 10.910 4.358 ( 2.684 5.779 0.000) 6.372 5.869 ( -12.344 1.286 0.000) 12.411 5.954 ( -21.200 -4.396 0.000) 21.651 6.165 ( 0.676 0.343 0.000) 0.758 6.496 ( 1.296 -1.322 0.000) 1.852 6.531 ( -3.400 -0.865 0.000) 3.508 6.990 ( -0.722 -1.869 0.000) 2.003 7.071 ( 1.751 -0.424 0.000) 1.802 7.152 ( 1.317 -8.605 0.000) 8.705 7.387 ( -0.408 0.008 0.000) 0.408 7.530 ( -6.153 -0.053 0.000) 6.153 7.563 ( -0.533 6.317 0.000) 6.340 7.916 ( 0.925 -6.158 0.000) 6.227 8.177 ( 4.674 2.408 0.000) 5.258 8.305 ( 2.905 -1.240 0.000) 3.159 8.519 ( -0.720 0.529 0.000) 0.893 8.766 ( 1.948 1.373 0.000) 2.384 8.809 ( 4.011 0.736 0.000) 4.078 9.725 ( 1.347 -0.629 0.000) 1.487 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 8.516 0.000) 8.516 1.224 ( 0.000 21.276 0.000) 21.276 1.491 ( -0.000 -7.927 0.000) 7.927 1.709 ( 0.000 30.761 0.000) 30.761 1.917 ( -0.000 -5.604 0.000) 5.604 1.932 ( 0.000 0.436 0.000) 0.436 2.095 ( 0.000 2.374 0.000) 2.374 2.162 ( 0.000 0.472 0.000) 0.472 2.353 ( -0.000 -3.944 0.000) 3.944 2.731 ( -0.000 -2.571 0.000) 2.571 2.809 ( -0.000 -2.657 0.000) 2.657 2.963 ( -0.000 -10.550 0.000) 10.550 3.237 ( 0.000 0.637 0.000) 0.637 3.296 ( 0.000 1.693 0.000) 1.693 3.395 ( -0.000 -0.383 0.000) 0.383 3.425 ( 0.000 3.357 0.000) 3.357 3.767 ( -0.000 -14.199 0.000) 14.199 4.345 ( 0.000 7.383 0.000) 7.383 5.711 ( 0.000 0.347 0.000) 0.347 5.733 ( 0.000 1.668 0.000) 1.668 6.170 ( 0.000 0.807 0.000) 0.807 6.501 ( -0.000 -1.176 0.000) 1.176 6.515 ( -0.000 -1.100 0.000) 1.100 6.996 ( -0.000 -2.293 0.000) 2.293 7.092 ( -0.000 -0.589 0.000) 0.589 7.229 ( -0.000 -11.665 0.000) 11.665 7.387 ( 0.000 0.285 0.000) 0.285 7.465 ( 0.000 0.273 0.000) 0.273 7.520 ( 0.000 6.338 0.000) 6.338 7.961 ( -0.000 -5.937 0.000) 5.937 8.207 ( 0.000 2.977 0.000) 2.977 8.342 ( -0.000 -0.880 0.000) 0.880 8.509 ( 0.000 0.060 0.000) 0.060 8.777 ( 0.000 1.692 0.000) 1.692 8.844 ( 0.000 1.203 0.000) 1.203 9.743 ( -0.000 -0.811 0.000) 0.811 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -13.522 -0.000 0.000) 13.522 1.658 ( -0.344 -0.000 0.000) 0.344 1.731 ( -1.182 -0.000 0.000) 1.182 1.737 ( -10.619 -0.000 0.000) 10.619 1.962 ( -7.617 -0.000 0.000) 7.617 2.127 ( -2.075 -0.000 0.000) 2.075 2.635 ( -7.370 -0.000 0.000) 7.370 2.776 ( -16.254 -0.000 0.000) 16.254 3.036 ( 11.602 0.000 0.000) 11.602 3.055 ( -6.445 -0.000 0.000) 6.445 3.097 ( -9.754 -0.000 0.000) 9.754 3.204 ( -0.394 -0.000 0.000) 0.394 3.302 ( 1.139 0.000 0.000) 1.139 3.315 ( -15.407 -0.000 0.000) 15.407 3.339 ( 2.403 0.000 0.000) 2.403 3.383 ( -13.817 -0.000 0.000) 13.817 3.514 ( -4.769 -0.000 0.000) 4.769 4.232 ( 5.068 0.000 0.000) 5.068 6.168 ( -1.934 -0.000 0.000) 1.934 6.356 ( 3.217 0.000 0.000) 3.217 6.521 ( -12.581 -0.000 0.000) 12.581 6.685 ( -3.591 -0.000 0.000) 3.591 6.727 ( -16.818 -0.000 0.000) 16.818 7.014 ( -2.890 -0.000 0.000) 2.890 7.035 ( 0.429 0.000 0.000) 0.429 7.064 ( -4.059 -0.000 0.000) 4.059 7.452 ( -1.556 -0.000 0.000) 1.556 7.698 ( -1.131 -0.000 0.000) 1.131 7.726 ( 2.096 0.000 0.000) 2.096 7.772 ( 0.242 0.000 0.000) 0.242 8.097 ( -6.700 -0.000 0.000) 6.700 8.099 ( 6.443 0.000 0.000) 6.443 8.558 ( -1.689 -0.000 0.000) 1.689 8.589 ( 5.786 0.000 0.000) 5.786 8.639 ( 5.066 0.000 0.000) 5.066 9.654 ( 1.372 0.000 0.000) 1.372 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -16.367 0.161 0.000) 16.367 1.551 ( -7.362 1.501 0.000) 7.513 1.678 ( 1.358 -2.185 0.000) 2.572 1.682 ( -0.209 20.281 0.000) 20.282 1.904 ( -2.060 -17.428 0.000) 17.550 2.122 ( 1.237 -1.437 0.000) 1.896 2.443 ( -17.158 -0.524 0.000) 17.166 2.464 ( -10.753 -0.177 0.000) 10.755 2.858 ( -12.264 4.817 0.000) 13.176 2.882 ( -10.401 -0.201 0.000) 10.403 3.026 ( -14.053 3.894 0.000) 14.582 3.072 ( -13.772 -4.616 0.000) 14.525 3.211 ( 1.074 0.028 0.000) 1.075 3.218 ( 6.340 0.456 0.000) 6.357 3.353 ( 2.146 0.264 0.000) 2.162 3.392 ( 3.207 0.376 0.000) 3.229 3.471 ( -0.895 -2.139 0.000) 2.319 4.336 ( 5.352 1.184 0.000) 5.482 6.151 ( -0.508 0.555 0.000) 0.752 6.197 ( -17.496 -0.407 0.000) 17.501 6.333 ( -22.016 -0.872 0.000) 22.034 6.430 ( 2.799 -1.293 0.000) 3.083 6.604 ( -4.540 -0.159 0.000) 4.542 7.000 ( -2.426 -0.397 0.000) 2.458 7.025 ( 2.227 -0.043 0.000) 2.227 7.047 ( 0.347 -1.896 0.000) 1.928 7.412 ( -2.055 -0.052 0.000) 2.055 7.670 ( -0.500 3.860 0.000) 3.892 7.671 ( -7.143 -0.139 0.000) 7.145 7.797 ( 0.988 -3.995 0.000) 4.116 8.090 ( 5.283 0.689 0.000) 5.328 8.213 ( 4.875 -0.431 0.000) 4.894 8.538 ( -0.601 0.115 0.000) 0.612 8.710 ( 6.213 -0.016 0.000) 6.213 8.725 ( 3.764 0.329 0.000) 3.778 9.686 ( 1.763 -0.126 0.000) 1.767 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -12.512 0.890 0.000) 12.544 1.437 ( -3.895 -1.374 0.000) 4.130 1.543 ( -1.463 17.475 0.000) 17.537 1.747 ( 4.772 -1.494 0.000) 5.000 1.995 ( 3.221 -4.011 0.000) 5.144 2.137 ( -14.205 -1.015 0.000) 14.242 2.168 ( 1.256 1.125 0.000) 1.686 2.255 ( -7.869 -0.553 0.000) 7.888 2.512 ( -16.383 9.881 0.000) 19.132 2.758 ( -3.250 -1.493 0.000) 3.577 2.797 ( -6.826 -0.095 0.000) 6.827 2.895 ( -8.289 -6.536 0.000) 10.556 3.225 ( 0.493 -0.474 0.000) 0.684 3.297 ( 2.247 0.799 0.000) 2.385 3.383 ( 1.082 0.431 0.000) 1.164 3.450 ( 2.824 1.835 0.000) 3.368 3.509 ( 1.876 -7.983 0.000) 8.201 4.410 ( 3.174 3.153 0.000) 4.474 5.881 ( -12.215 0.777 0.000) 12.240 5.920 ( -18.823 -1.720 0.000) 18.901 6.168 ( 0.983 0.121 0.000) 0.991 6.484 ( 1.660 -0.758 0.000) 1.825 6.523 ( -3.553 -0.502 0.000) 3.588 6.973 ( -0.805 -1.025 0.000) 1.304 7.067 ( 1.644 -0.253 0.000) 1.663 7.074 ( 0.424 -4.740 0.000) 4.759 7.388 ( -0.219 0.116 0.000) 0.248 7.530 ( -5.975 -0.010 0.000) 5.975 7.635 ( -0.190 5.903 0.000) 5.906 7.846 ( 0.861 -5.736 0.000) 5.800 8.199 ( 4.865 1.444 0.000) 5.075 8.290 ( 2.526 -1.221 0.000) 2.806 8.524 ( -0.723 0.335 0.000) 0.797 8.779 ( 1.997 0.729 0.000) 2.126 8.816 ( 4.265 0.375 0.000) 4.281 9.719 ( 1.284 -0.345 0.000) 1.330 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 2.841 0.000) 2.841 1.418 ( -0.000 -4.341 0.000) 4.341 1.440 ( 0.000 15.655 0.000) 15.655 1.867 ( -0.000 -3.165 0.000) 3.165 1.936 ( 0.000 0.306 0.000) 0.306 2.007 ( 0.000 18.321 0.000) 18.321 2.121 ( 0.000 2.210 0.000) 2.210 2.194 ( 0.000 7.045 0.000) 7.045 2.297 ( -0.000 -5.456 0.000) 5.456 2.711 ( -0.000 -0.879 0.000) 0.879 2.778 ( -0.000 -2.584 0.000) 2.584 2.847 ( -0.000 -9.232 0.000) 9.232 3.234 ( -0.000 -0.651 0.000) 0.651 3.312 ( 0.000 0.928 0.000) 0.928 3.392 ( 0.000 0.043 0.000) 0.043 3.464 ( 0.000 3.131 0.000) 3.131 3.604 ( -0.000 -13.315 0.000) 13.315 4.417 ( 0.000 4.979 0.000) 4.979 5.715 ( 0.000 0.277 0.000) 0.277 5.750 ( 0.000 1.223 0.000) 1.223 6.178 ( 0.000 0.495 0.000) 0.495 6.489 ( -0.000 -0.874 0.000) 0.874 6.503 ( -0.000 -0.805 0.000) 0.805 6.974 ( -0.000 -1.521 0.000) 1.521 7.086 ( -0.000 -0.451 0.000) 0.451 7.116 ( -0.000 -7.700 0.000) 7.700 7.390 ( 0.000 0.215 0.000) 0.215 7.467 ( 0.000 0.178 0.000) 0.178 7.596 ( 0.000 6.660 0.000) 6.660 7.890 ( -0.000 -6.217 0.000) 6.217 8.236 ( 0.000 2.145 0.000) 2.145 8.326 ( -0.000 -1.793 0.000) 1.793 8.513 ( 0.000 0.501 0.000) 0.501 8.793 ( 0.000 1.111 0.000) 1.111 8.856 ( 0.000 0.790 0.000) 0.790 9.735 ( -0.000 -0.554 0.000) 0.554 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -12.539 -0.000 0.000) 12.539 1.432 ( -4.491 -0.000 0.000) 4.491 1.661 ( -6.567 -0.000 0.000) 6.567 1.738 ( 4.999 0.000 0.000) 4.999 1.953 ( 10.060 0.000 0.000) 10.060 2.131 ( -14.052 -0.000 0.000) 14.052 2.175 ( 3.948 0.000 0.000) 3.948 2.248 ( -9.389 -0.000 0.000) 9.389 2.586 ( -16.970 -0.000 0.000) 16.970 2.744 ( -2.737 -0.000 0.000) 2.737 2.800 ( -8.702 -0.000 0.000) 8.702 2.852 ( -7.786 -0.000 0.000) 7.786 3.222 ( 0.463 0.000 0.000) 0.463 3.301 ( 2.070 0.000 0.000) 2.070 3.388 ( 1.257 0.000 0.000) 1.257 3.456 ( 0.205 0.000 0.000) 0.205 3.461 ( 3.097 0.000 0.000) 3.097 4.428 ( 3.346 0.000 0.000) 3.346 5.886 ( -12.184 -0.000 0.000) 12.184 5.910 ( -18.084 -0.000 0.000) 18.084 6.168 ( 1.110 0.000 0.000) 1.110 6.479 ( 1.789 0.000 0.000) 1.789 6.520 ( -3.611 -0.000 0.000) 3.611 6.967 ( -0.811 -0.000 0.000) 0.811 7.046 ( 0.122 0.000 0.000) 0.122 7.066 ( 1.603 0.000 0.000) 1.603 7.389 ( -0.181 -0.000 0.000) 0.181 7.530 ( -5.914 -0.000 0.000) 5.914 7.679 ( -0.062 -0.000 0.000) 0.062 7.804 ( 0.837 0.000 0.000) 0.837 8.208 ( 5.066 0.000 0.000) 5.066 8.282 ( 2.222 0.000 0.000) 2.222 8.526 ( -0.674 -0.000 0.000) 0.674 8.783 ( 2.014 0.000 0.000) 2.014 8.818 ( 4.359 0.000 0.000) 4.359 9.717 ( 1.262 0.000 0.000) 1.262 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 0.077 0.000) 0.077 1.389 ( -0.000 -0.925 0.000) 0.925 1.571 ( 0.000 6.213 0.000) 6.213 1.842 ( -0.000 -1.103 0.000) 1.103 1.938 ( 0.000 0.110 0.000) 0.110 2.106 ( 0.000 2.279 0.000) 2.279 2.145 ( 0.000 1.722 0.000) 1.722 2.239 ( -0.000 -3.744 0.000) 3.744 2.321 ( 0.000 9.344 0.000) 9.344 2.708 ( 0.000 0.243 0.000) 0.243 2.754 ( -0.000 -1.409 0.000) 1.409 2.760 ( -0.000 -4.860 0.000) 4.860 3.228 ( -0.000 -0.287 0.000) 0.287 3.318 ( 0.000 0.218 0.000) 0.218 3.397 ( 0.000 0.793 0.000) 0.793 3.482 ( -0.000 -6.743 0.000) 6.743 3.490 ( 0.000 1.198 0.000) 1.198 4.457 ( 0.000 1.756 0.000) 1.756 5.717 ( 0.000 0.107 0.000) 0.107 5.760 ( 0.000 0.450 0.000) 0.450 6.182 ( 0.000 0.164 0.000) 0.164 6.482 ( -0.000 -0.324 0.000) 0.324 6.497 ( -0.000 -0.296 0.000) 0.296 6.962 ( -0.000 -0.494 0.000) 0.494 7.055 ( -0.000 -2.726 0.000) 2.726 7.082 ( -0.000 -0.169 0.000) 0.169 7.392 ( 0.000 0.080 0.000) 0.080 7.469 ( 0.000 0.061 0.000) 0.061 7.665 ( 0.000 4.306 0.000) 4.306 7.825 ( -0.000 -4.117 0.000) 4.117 8.257 ( 0.000 1.206 0.000) 1.206 8.306 ( -0.000 -1.254 0.000) 1.254 8.517 ( 0.000 0.247 0.000) 0.247 8.802 ( 0.000 0.385 0.000) 0.385 8.862 ( 0.000 0.274 0.000) 0.274 9.731 ( -0.000 -0.195 0.000) 0.195 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 0.000 0.000 17.936) 17.936 0.500 ( 0.000 0.000 24.503) 24.503 0.906 ( 0.000 0.000 39.470) 39.470 1.588 ( 0.000 0.000 -12.305) 12.305 1.707 ( 0.000 0.000 -14.398) 14.398 2.157 ( 0.000 0.000 7.343) 7.343 2.275 ( 0.000 0.000 -4.445) 4.445 2.350 ( 0.000 0.000 11.087) 11.087 2.404 ( 0.000 0.000 -1.425) 1.425 2.842 ( 0.000 0.000 0.313) 0.313 2.875 ( 0.000 0.000 -0.426) 0.426 3.027 ( 0.000 0.000 4.948) 4.948 3.230 ( 0.000 0.000 -2.452) 2.452 3.260 ( 0.000 0.000 -6.058) 6.058 3.453 ( 0.000 0.000 0.186) 0.186 3.582 ( 0.000 0.000 -2.546) 2.546 3.654 ( 0.000 0.000 1.882) 1.882 3.967 ( 0.000 0.000 -6.962) 6.962 5.682 ( 0.000 0.000 0.386) 0.386 5.701 ( 0.000 0.000 -0.044) 0.044 6.539 ( 0.000 0.000 -0.011) 0.011 6.548 ( 0.000 0.000 -0.237) 0.237 6.729 ( 0.000 0.000 -0.165) 0.165 6.898 ( 0.000 0.000 -5.482) 5.482 7.152 ( 0.000 0.000 6.559) 6.559 7.224 ( 0.000 0.000 8.284) 8.284 7.384 ( 0.000 0.000 0.544) 0.544 7.445 ( 0.000 0.000 -0.857) 0.857 7.751 ( 0.000 0.000 -10.184) 10.184 7.776 ( 0.000 0.000 -7.819) 7.819 8.117 ( 0.000 0.000 4.145) 4.145 8.209 ( 0.000 0.000 3.899) 3.899 8.338 ( 0.000 0.000 4.458) 4.458 8.750 ( 0.000 0.000 -4.232) 4.232 9.611 ( 0.000 0.000 2.251) 2.251 9.760 ( 0.000 0.000 -1.249) 1.249 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 22.895 2.970 10.540) 25.379 0.772 ( 17.553 -8.032 15.653) 24.853 1.233 ( 28.609 -7.176 24.930) 38.620 1.636 ( 5.745 0.183 -6.888) 8.971 1.714 ( -0.084 -0.492 -10.567) 10.579 2.169 ( 4.781 -0.056 3.309) 5.815 2.311 ( -0.182 2.301 6.541) 6.937 2.430 ( 12.379 1.449 -1.661) 12.573 2.504 ( 7.705 1.162 0.705) 7.824 2.889 ( 2.498 1.117 -0.542) 2.789 2.892 ( 3.138 0.456 -0.865) 3.287 3.004 ( -2.030 -2.396 5.651) 6.466 3.231 ( 0.001 -0.692 -2.782) 2.867 3.252 ( -0.516 0.618 -5.176) 5.238 3.416 ( -2.803 2.098 0.171) 3.506 3.472 ( -3.710 7.542 4.849) 9.704 3.588 ( -6.785 -9.698 0.890) 11.869 3.974 ( 0.001 -2.573 -7.638) 8.060 5.828 ( 13.957 -0.205 0.802) 13.982 6.011 ( 13.417 0.722 -8.116) 15.698 6.530 ( 0.191 1.396 -1.458) 2.027 6.538 ( 0.772 0.055 -1.606) 1.783 6.857 ( 10.632 15.672 -2.317) 19.079 6.999 ( 6.720 -6.861 -9.811) 13.729 7.105 ( -1.525 1.488 4.051) 4.577 7.212 ( -2.531 -5.380 5.892) 8.370 7.386 ( -0.478 0.295 0.090) 0.569 7.510 ( 5.830 -0.061 -0.064) 5.831 7.711 ( -0.191 8.924 -6.797) 11.219 7.795 ( -0.957 -5.754 -8.958) 10.690 8.158 ( 2.251 -3.553 -0.381) 4.223 8.199 ( -1.249 -0.546 4.216) 4.431 8.333 ( -0.435 -0.590 3.371) 3.450 8.704 ( -4.261 0.399 -3.815) 5.733 9.285 ( -17.768 4.049 21.470) 28.161 9.738 ( -2.174 0.007 -1.762) 2.798 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 22.502 2.163 7.580) 23.843 1.165 ( 20.006 -1.751 9.025) 22.018 1.690 ( 1.855 2.417 -3.495) 4.636 1.767 ( 9.301 -1.118 -4.871) 10.559 1.964 ( 31.753 -9.944 15.499) 36.706 2.319 ( 3.496 2.333 1.733) 4.546 2.355 ( 11.297 -1.672 0.358) 11.426 2.654 ( 8.278 3.423 0.815) 8.995 2.690 ( 14.251 2.993 -0.403) 14.567 2.896 ( -1.042 1.396 -0.009) 1.742 2.945 ( 1.704 -1.855 0.116) 2.521 3.042 ( 5.605 -0.171 2.169) 6.012 3.229 ( -0.756 -0.086 -5.121) 5.177 3.252 ( 0.806 -0.439 -0.913) 1.295 3.340 ( -3.238 1.314 -0.044) 3.495 3.400 ( -1.515 2.276 1.692) 3.215 3.488 ( -7.509 -5.031 2.649) 9.418 3.996 ( 0.543 -3.036 -9.024) 9.537 6.139 ( 5.889 0.741 0.185) 5.939 6.176 ( 16.391 -0.866 -0.092) 16.414 6.501 ( -1.058 0.966 -1.078) 1.793 6.611 ( 5.052 0.888 -2.324) 5.632 6.947 ( 6.157 9.169 1.463) 11.141 7.023 ( -0.804 1.248 1.010) 1.795 7.129 ( -0.289 1.057 3.688) 3.847 7.272 ( 5.398 -3.627 -7.631) 10.026 7.337 ( -3.375 1.246 -2.105) 4.169 7.628 ( -0.761 0.910 -6.283) 6.394 7.674 ( 6.712 4.100 1.143) 7.948 7.816 ( 1.452 -2.190 -5.904) 6.462 8.164 ( -2.377 0.539 5.160) 5.707 8.205 ( 0.271 -1.712 -2.132) 2.747 8.349 ( 1.793 -2.622 0.081) 3.177 8.600 ( -5.662 0.202 -3.279) 6.546 9.023 ( -8.976 1.168 20.266) 22.195 9.685 ( -2.952 0.183 -2.874) 4.124 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 13.552 -2.516 5.783) 14.948 1.568 ( 19.476 4.219 0.754) 19.942 1.717 ( 4.963 2.453 2.099) 5.921 1.956 ( 9.943 0.914 4.287) 10.867 2.345 ( 4.935 3.195 0.232) 5.884 2.585 ( 9.237 -1.283 -1.196) 9.402 2.637 ( 23.126 -4.322 4.957) 24.043 2.732 ( 2.321 4.323 0.475) 4.930 2.833 ( 0.281 0.859 4.866) 4.949 2.940 ( 8.168 0.259 -2.925) 8.680 3.036 ( 6.793 -1.068 0.054) 6.877 3.177 ( 7.598 1.343 -0.845) 7.762 3.216 ( -0.893 1.048 -2.560) 2.907 3.255 ( 0.286 -0.371 -0.226) 0.520 3.307 ( 0.938 -3.223 0.185) 3.362 3.372 ( -4.278 -4.974 0.825) 6.613 3.409 ( 1.195 -1.290 3.672) 4.071 4.028 ( 1.387 -1.523 -10.125) 10.332 6.202 ( 3.258 0.262 1.299) 3.517 6.409 ( 2.051 1.159 -4.572) 5.143 6.569 ( 9.949 0.675 2.577) 10.300 6.692 ( 3.153 0.517 -0.773) 3.287 6.992 ( 3.699 4.454 1.885) 6.089 7.033 ( 3.119 1.428 1.981) 3.961 7.126 ( -0.244 0.045 3.311) 3.320 7.243 ( -1.937 2.024 -0.662) 2.879 7.397 ( 2.955 -0.888 -7.126) 7.766 7.542 ( -3.910 -0.733 -3.739) 5.460 7.803 ( 4.776 3.676 -2.221) 6.423 7.906 ( 7.131 -0.709 -4.154) 8.283 8.103 ( -3.145 1.388 4.909) 5.993 8.187 ( -1.855 1.519 0.309) 2.417 8.431 ( 4.319 -3.229 -1.877) 5.710 8.500 ( -3.985 -0.181 -2.852) 4.904 8.878 ( -5.958 0.267 17.575) 18.559 9.630 ( -2.388 0.173 -3.888) 4.566 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 5.513 -0.948 1.774) 5.869 1.722 ( 3.245 0.087 -0.933) 3.378 1.977 ( 17.135 4.486 3.067) 17.976 2.145 ( 9.764 0.834 10.638) 14.464 2.410 ( 3.691 3.817 -1.806) 5.608 2.623 ( -4.026 5.090 -0.447) 6.505 2.675 ( -2.438 9.964 0.346) 10.264 2.807 ( 3.345 -2.646 2.308) 4.850 2.968 ( 4.049 0.475 -0.177) 4.081 3.054 ( 1.605 -2.546 -2.322) 3.801 3.145 ( 2.283 -1.354 1.387) 2.995 3.245 ( 3.811 -5.048 -1.328) 6.463 3.263 ( 1.784 -1.500 0.072) 2.332 3.296 ( -0.263 -0.536 1.240) 1.376 3.360 ( 5.786 -0.381 1.529) 5.997 3.485 ( 7.002 -6.552 0.592) 9.607 3.545 ( 15.297 -1.805 1.578) 15.484 4.072 ( 3.165 0.225 -9.932) 10.427 6.277 ( 4.747 0.729 0.752) 4.861 6.409 ( 0.503 2.095 -3.100) 3.775 6.653 ( -0.992 1.023 1.299) 1.929 6.721 ( 0.177 0.293 -1.197) 1.245 7.024 ( -1.881 2.363 0.962) 3.170 7.094 ( 3.426 -0.163 1.778) 3.863 7.192 ( 9.931 0.252 1.995) 10.132 7.256 ( 2.468 0.880 1.681) 3.113 7.351 ( -5.001 -1.389 -3.335) 6.170 7.575 ( 4.647 -0.753 -4.232) 6.330 7.835 ( 0.821 2.196 -0.613) 2.423 7.998 ( 0.111 4.105 -1.018) 4.231 8.048 ( -0.741 1.929 -0.836) 2.229 8.133 ( -2.203 -0.885 -1.153) 2.640 8.468 ( 1.240 0.226 -0.340) 1.305 8.540 ( 4.752 -1.694 -1.042) 5.152 8.781 ( -3.872 -0.213 16.470) 16.920 9.593 ( -1.283 0.080 -4.606) 4.782 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 1.520 -0.303 0.739) 1.717 1.768 ( 1.157 -1.079 -0.658) 1.714 2.221 ( 9.484 2.976 1.823) 10.106 2.299 ( 5.314 0.790 9.660) 11.053 2.429 ( -0.798 6.329 1.497) 6.553 2.480 ( -3.530 6.676 -1.034) 7.623 2.564 ( -2.894 2.105 3.406) 4.941 2.886 ( 3.276 -0.145 0.936) 3.410 3.041 ( 4.866 0.747 -1.209) 5.070 3.072 ( 0.444 -0.558 -0.757) 1.040 3.170 ( -0.379 -2.940 0.702) 3.047 3.233 ( -3.033 -1.631 0.353) 3.462 3.312 ( -1.471 -3.979 -1.502) 4.500 3.331 ( 3.118 -0.070 -0.406) 3.145 3.496 ( 6.117 -1.096 -1.039) 6.301 3.654 ( 5.773 -7.604 1.262) 9.630 3.814 ( 9.227 4.021 0.489) 10.077 4.178 ( 7.646 -1.032 -7.522) 10.775 6.374 ( 5.477 1.049 -0.041) 5.576 6.417 ( 1.561 2.334 -1.619) 3.241 6.591 ( -3.638 0.999 0.646) 3.827 6.702 ( -1.913 -0.204 -2.309) 3.005 6.954 ( -3.148 0.020 2.159) 3.817 7.166 ( 0.180 1.307 -1.676) 2.133 7.227 ( 0.548 -1.285 1.957) 2.405 7.346 ( 2.454 -2.060 1.452) 3.518 7.405 ( 8.700 0.133 0.647) 8.725 7.668 ( 4.027 0.209 -4.634) 6.143 7.818 ( -1.220 1.869 0.759) 2.358 7.940 ( -2.408 2.721 1.262) 3.846 7.975 ( -3.978 2.949 1.451) 5.160 8.128 ( -0.487 -1.499 -8.503) 8.648 8.525 ( 3.738 0.327 1.414) 4.010 8.619 ( 2.333 -0.122 4.431) 5.009 8.738 ( -0.649 -0.683 11.980) 12.017 9.577 ( -0.412 -0.002 -5.064) 5.081 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.001 -0.212 0.837) 0.864 1.787 ( 0.377 -0.647 -0.746) 1.057 2.279 ( -1.383 3.420 1.994) 4.193 2.333 ( -0.280 0.411 5.172) 5.195 2.356 ( 1.028 1.575 0.751) 2.025 2.454 ( 0.156 1.750 -1.376) 2.232 2.564 ( 1.550 0.001 10.425) 10.539 2.928 ( 1.109 0.523 1.441) 1.892 3.069 ( -0.022 0.002 0.524) 0.524 3.156 ( 5.871 2.029 -1.284) 6.343 3.179 ( 0.121 -0.838 -0.358) 0.919 3.193 ( -1.335 -0.784 -0.379) 1.594 3.269 ( -4.585 -3.709 -2.708) 6.490 3.374 ( 1.155 0.000 -0.463) 1.245 3.587 ( 2.403 -0.526 -1.867) 3.088 3.767 ( 1.421 -5.702 -4.563) 7.440 3.882 ( 2.374 5.284 5.220) 7.798 4.319 ( 4.222 -0.923 -5.918) 7.328 6.438 ( 1.495 1.212 0.368) 1.959 6.464 ( 3.550 0.821 -0.324) 3.658 6.523 ( -2.532 0.193 -0.948) 2.711 6.660 ( -1.964 -0.384 -2.857) 3.488 6.915 ( -1.004 -0.428 2.603) 2.823 7.116 ( -1.775 0.733 -2.705) 3.317 7.283 ( 1.673 -0.904 3.623) 4.092 7.417 ( 2.800 -1.481 2.318) 3.925 7.519 ( 2.839 0.152 -1.327) 3.138 7.701 ( -0.367 1.388 -3.811) 4.073 7.792 ( 0.106 0.459 0.331) 0.576 7.887 ( -1.587 0.959 0.501) 1.921 7.912 ( -1.133 0.685 2.281) 2.638 8.121 ( -0.506 -0.342 -8.521) 8.543 8.580 ( 1.568 0.136 1.311) 2.048 8.638 ( 0.186 0.083 12.732) 12.734 8.749 ( 0.680 -0.307 4.412) 4.475 9.574 ( -0.055 -0.014 -5.293) 5.293 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 18.096 0.000 11.308) 21.338 1.161 ( 25.482 0.000 4.015) 25.796 1.708 ( 0.057 0.000 -4.015) 4.015 1.754 ( 13.786 0.000 -4.429) 14.480 1.904 ( 31.250 0.000 16.700) 35.432 2.335 ( 2.282 0.000 2.099) 3.100 2.343 ( 11.715 0.000 0.186) 11.716 2.675 ( 8.556 0.000 0.514) 8.572 2.709 ( 14.758 0.000 -2.510) 14.970 2.903 ( -3.019 -0.000 4.177) 5.153 2.932 ( 2.451 0.000 -0.251) 2.464 3.043 ( 6.778 0.000 1.351) 6.912 3.226 ( -0.354 -0.000 -4.984) 4.996 3.251 ( 0.599 0.000 -1.207) 1.347 3.348 ( -4.143 -0.000 0.031) 4.143 3.434 ( -2.479 -0.000 6.768) 7.208 3.436 ( -7.129 -0.000 -2.255) 7.477 3.978 ( 1.183 0.000 -9.105) 9.182 6.144 ( 3.321 0.000 -0.056) 3.322 6.170 ( 19.039 0.000 0.302) 19.041 6.507 ( -1.085 -0.000 -1.316) 1.705 6.616 ( 4.794 0.000 -2.094) 5.232 6.998 ( 3.341 0.000 -1.279) 3.578 7.040 ( -1.380 -0.000 3.742) 3.988 7.138 ( -2.356 -0.000 5.814) 6.273 7.241 ( 10.204 0.000 -12.251) 15.943 7.346 ( -3.837 -0.000 -1.164) 4.010 7.631 ( 0.695 0.000 -6.567) 6.604 7.706 ( 3.335 0.000 -0.110) 3.337 7.799 ( 2.756 0.000 -5.223) 5.906 8.167 ( -2.012 -0.000 4.854) 5.254 8.193 ( 1.799 0.000 -2.477) 3.061 8.334 ( 1.276 0.000 1.219) 1.765 8.601 ( -5.823 -0.000 -3.232) 6.659 9.030 ( -9.630 -0.000 20.801) 22.922 9.686 ( -2.957 -0.000 -2.897) 4.140 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 14.044 -0.906 6.112) 15.343 1.605 ( 17.449 1.811 -0.775) 17.560 1.740 ( 6.297 1.244 2.485) 6.883 1.964 ( 9.995 0.302 3.984) 10.764 2.370 ( 5.121 1.110 0.119) 5.241 2.571 ( 14.944 -0.759 0.752) 14.983 2.581 ( 23.112 -3.124 3.891) 23.644 2.778 ( 1.418 1.963 2.307) 3.345 2.856 ( 0.473 2.274 4.698) 5.241 2.939 ( 6.060 -0.417 -3.212) 6.871 3.026 ( 8.054 -0.555 -0.013) 8.073 3.199 ( 8.123 2.094 -0.731) 8.421 3.223 ( -0.087 0.118 -2.968) 2.971 3.261 ( -0.428 -1.081 -0.029) 1.163 3.270 ( -3.505 0.005 -0.408) 3.528 3.319 ( -1.621 -3.799 -1.316) 4.335 3.399 ( -0.904 -0.438 5.821) 5.907 4.016 ( 2.430 -0.528 -10.171) 10.471 6.204 ( 3.375 0.097 1.250) 3.601 6.418 ( 2.588 0.400 -4.879) 5.537 6.575 ( 9.783 0.257 2.643) 10.137 6.696 ( 3.032 0.185 -0.621) 3.101 7.030 ( 1.524 1.968 2.780) 3.731 7.044 ( 3.095 0.237 2.987) 4.308 7.126 ( -0.255 -0.003 2.263) 2.278 7.260 ( -3.090 0.834 -0.826) 3.305 7.390 ( 4.001 -0.390 -7.963) 8.920 7.535 ( -4.674 -0.360 -4.475) 6.481 7.839 ( 2.625 2.117 -2.544) 4.224 7.895 ( 9.622 -0.942 -3.927) 10.435 8.115 ( -3.124 0.611 4.401) 5.431 8.203 ( -0.990 0.952 -0.679) 1.532 8.400 ( 4.927 -1.653 -0.647) 5.237 8.499 ( -4.084 -0.091 -2.858) 4.985 8.880 ( -6.247 0.071 18.113) 19.160 9.632 ( -2.435 0.060 -3.885) 4.585 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 6.364 -0.554 1.965) 6.684 1.723 ( 2.252 0.049 -1.039) 2.481 2.022 ( 16.106 2.927 2.727) 16.596 2.152 ( 9.532 0.363 10.979) 14.544 2.439 ( 2.914 1.348 -3.475) 4.731 2.667 ( -3.342 3.497 3.144) 5.769 2.762 ( 3.977 -0.549 0.383) 4.033 2.821 ( -0.536 9.241 -0.246) 9.260 2.978 ( 3.043 0.623 0.821) 3.213 3.021 ( 2.400 -2.459 -3.410) 4.841 3.108 ( 2.169 -6.021 0.073) 6.400 3.188 ( 1.044 -2.060 2.204) 3.192 3.268 ( 3.328 0.912 -0.928) 3.573 3.292 ( 0.735 -0.136 0.127) 0.758 3.350 ( 3.821 -1.803 1.198) 4.391 3.423 ( 7.881 -3.542 1.634) 8.793 3.528 ( 16.702 -1.147 1.518) 16.810 4.075 ( 3.453 0.131 -10.000) 10.580 6.283 ( 4.875 0.378 0.783) 4.952 6.428 ( 0.597 1.139 -3.664) 3.883 6.663 ( -0.869 0.644 1.681) 1.999 6.724 ( -0.007 0.195 -0.990) 1.009 7.049 ( -3.741 1.747 0.766) 4.199 7.090 ( 3.008 -0.473 2.288) 3.808 7.196 ( 10.857 0.299 2.419) 11.127 7.262 ( 2.402 0.304 1.492) 2.844 7.338 ( -6.121 -0.762 -4.291) 7.514 7.568 ( 5.080 -0.489 -3.848) 6.391 7.854 ( 0.115 1.048 -0.760) 1.300 8.036 ( -1.053 2.295 -0.016) 2.525 8.062 ( 3.283 0.344 -4.836) 5.855 8.135 ( -5.011 1.123 0.558) 5.166 8.469 ( 1.368 0.037 -0.304) 1.401 8.522 ( 5.905 -1.302 -1.061) 6.139 8.778 ( -4.235 -0.288 17.246) 17.761 9.594 ( -1.338 0.044 -4.560) 4.753 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 1.615 -0.177 0.721) 1.777 1.757 ( 0.994 -0.773 -0.530) 1.366 2.248 ( 8.246 1.795 1.501) 8.572 2.306 ( 5.192 0.389 10.456) 11.680 2.469 ( 1.194 1.262 0.548) 1.822 2.554 ( -5.074 4.898 2.054) 7.345 2.621 ( -7.611 7.393 0.607) 10.628 2.892 ( 4.902 1.250 0.584) 5.093 3.038 ( 4.686 -1.807 -1.498) 5.241 3.062 ( 1.193 -1.035 -1.693) 2.315 3.143 ( 0.299 -1.712 0.880) 1.948 3.203 ( -2.037 -3.307 0.022) 3.884 3.274 ( -2.187 -1.970 1.833) 3.467 3.338 ( 3.436 1.052 -1.955) 4.091 3.465 ( 5.111 -4.196 -1.289) 6.737 3.595 ( 6.686 -2.616 2.197) 7.508 3.856 ( 13.368 3.203 0.161) 13.747 4.162 ( 5.715 -1.532 -7.856) 9.835 6.383 ( 5.408 0.621 0.056) 5.444 6.440 ( 1.309 1.581 -2.254) 3.049 6.602 ( -3.789 0.932 1.058) 4.043 6.700 ( -2.146 -0.093 -2.169) 3.053 6.956 ( -3.841 0.242 1.927) 4.304 7.174 ( 2.521 0.229 -0.489) 2.578 7.217 ( -2.514 -0.486 0.323) 2.580 7.326 ( 2.749 -1.411 1.775) 3.563 7.407 ( 8.737 0.183 0.876) 8.783 7.667 ( 4.401 -0.132 -4.184) 6.074 7.836 ( -1.228 1.211 0.520) 1.802 7.966 ( -3.104 1.821 1.252) 3.810 8.002 ( -6.240 1.441 1.178) 6.512 8.121 ( 0.965 0.202 -8.938) 8.993 8.528 ( 3.608 0.096 1.625) 3.959 8.622 ( 3.433 0.557 2.392) 4.221 8.726 ( -1.214 -1.277 14.056) 14.166 9.577 ( -0.438 -0.003 -5.003) 5.022 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.504 0.381 0.732) 0.967 1.777 ( 0.682 -1.045 -0.583) 1.378 2.314 ( -1.593 2.116 1.398) 2.995 2.337 ( -0.575 0.215 5.147) 5.184 2.386 ( -3.420 3.847 0.978) 5.240 2.471 ( -2.078 1.094 -0.851) 2.498 2.564 ( 1.288 -0.115 10.042) 10.125 2.939 ( 0.849 1.436 1.210) 2.061 3.068 ( -0.034 -0.209 0.328) 0.391 3.157 ( 2.063 -2.312 -2.716) 4.121 3.171 ( 1.770 -0.428 0.127) 1.825 3.187 ( 1.373 -0.309 -0.117) 1.413 3.231 ( -2.050 -2.041 -0.324) 2.911 3.383 ( 1.644 1.338 -1.594) 2.652 3.567 ( 2.605 -3.269 -2.288) 4.765 3.701 ( 2.486 -4.227 0.262) 4.911 3.969 ( 2.902 8.387 0.647) 8.898 4.294 ( 4.242 -3.369 -5.758) 7.906 6.452 ( 0.639 1.110 0.042) 1.282 6.471 ( 2.696 0.357 -0.138) 2.723 6.526 ( -3.033 0.365 -0.881) 3.179 6.657 ( -1.637 -0.179 -2.868) 3.307 6.912 ( -0.647 -0.162 2.573) 2.659 7.121 ( -2.628 0.250 -2.778) 3.832 7.276 ( 2.923 -0.265 3.511) 4.576 7.398 ( 3.258 -1.793 2.390) 4.421 7.522 ( 2.915 0.249 -1.022) 3.099 7.713 ( -0.649 0.651 -4.460) 4.554 7.801 ( -0.755 1.101 0.828) 1.571 7.893 ( -3.052 -0.113 0.704) 3.134 7.916 ( -1.993 0.261 1.905) 2.769 8.124 ( 0.164 0.752 -8.399) 8.434 8.580 ( 1.350 -0.079 1.722) 2.190 8.646 ( 0.441 1.266 12.194) 12.268 8.740 ( 0.789 -1.307 4.539) 4.789 9.574 ( -0.042 -0.011 -5.263) 5.264 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 0.184 0.727 0.818) 1.110 1.792 ( 0.339 0.141 -0.746) 0.831 2.246 ( -2.099 -2.068 2.271) 3.720 2.328 ( -0.181 -0.519 4.940) 4.970 2.344 ( -2.885 -0.727 0.609) 3.037 2.431 ( -2.363 -2.360 -1.378) 3.613 2.564 ( -1.442 -0.021 10.465) 10.564 2.927 ( -1.095 0.497 1.176) 1.682 3.068 ( -0.159 -0.261 0.475) 0.565 3.120 ( -5.351 -3.696 -0.719) 6.543 3.185 ( 1.279 0.273 -1.277) 1.827 3.211 ( 1.893 2.228 0.384) 2.949 3.301 ( 4.462 1.441 -2.351) 5.245 3.387 ( -0.064 2.212 -0.969) 2.416 3.585 ( -2.201 -0.852 -1.523) 2.809 3.760 ( 0.788 -5.353 -2.449) 5.939 3.913 ( -3.192 8.639 2.767) 9.617 4.314 ( -3.903 -1.696 -5.791) 7.187 6.425 ( -2.694 -1.028 0.664) 2.958 6.452 ( -4.133 -1.057 -0.474) 4.292 6.522 ( 2.104 -0.010 -1.052) 2.353 6.665 ( 2.193 0.497 -2.863) 3.640 6.922 ( 1.495 0.721 2.583) 3.070 7.104 ( 0.739 -1.180 -2.293) 2.683 7.297 ( -0.591 1.446 3.360) 3.706 7.429 ( -1.484 0.497 2.308) 2.788 7.519 ( -2.881 0.151 -1.512) 3.257 7.682 ( -0.936 -1.739 -3.360) 3.897 7.790 ( -0.633 0.110 -0.133) 0.656 7.873 ( 0.245 -1.484 0.549) 1.601 7.901 ( 0.237 -1.036 2.465) 2.684 8.131 ( 1.249 1.289 -8.426) 8.615 8.577 ( -1.763 -0.336 1.419) 2.288 8.644 ( 0.028 1.064 12.569) 12.614 8.747 ( -0.653 -0.713 4.328) 4.435 9.574 ( 0.067 0.014 -5.322) 5.322 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -1.517 0.388 0.796) 1.756 1.781 ( -1.297 1.146 -0.779) 1.898 2.179 ( -10.163 -4.253 2.404) 11.276 2.287 ( -5.188 -1.454 7.748) 9.437 2.343 ( 1.379 -6.995 3.197) 7.813 2.410 ( -1.589 -5.861 -1.560) 6.269 2.558 ( 2.474 0.406 3.642) 4.421 2.892 ( -2.309 0.721 1.163) 2.684 3.029 ( -3.748 -1.024 -1.298) 4.096 3.075 ( -0.075 0.055 -0.109) 0.143 3.205 ( 0.616 2.842 0.271) 2.920 3.245 ( 3.081 0.740 0.865) 3.284 3.322 ( -2.324 -0.298 -2.037) 3.105 3.373 ( 0.811 4.818 -1.105) 5.009 3.500 ( -6.237 0.029 0.259) 6.243 3.757 ( -6.675 9.209 1.040) 11.421 3.766 ( -4.863 -3.876 -0.488) 6.238 4.183 ( -8.554 -0.287 -7.243) 11.212 6.360 ( -5.497 -1.319 -0.137) 5.654 6.388 ( -1.925 -2.566 -0.932) 3.340 6.580 ( 3.392 -0.728 0.190) 3.474 6.705 ( 1.634 0.296 -2.471) 2.978 6.957 ( 2.465 0.551 2.336) 3.440 7.145 ( 0.684 -2.329 -1.585) 2.899 7.244 ( -2.529 1.594 2.502) 3.898 7.372 ( -2.123 2.330 1.151) 3.356 7.405 ( -8.483 0.152 0.287) 8.489 7.660 ( -3.303 -1.228 -5.132) 6.225 7.795 ( 0.624 -1.882 1.092) 2.263 7.903 ( 1.129 -3.558 1.093) 3.889 7.944 ( 3.106 -2.185 2.047) 4.314 8.151 ( 1.509 2.254 -8.177) 8.616 8.520 ( -3.903 -0.552 1.335) 4.161 8.625 ( -1.842 0.836 4.840) 5.245 8.740 ( 0.452 -0.238 11.404) 11.416 9.577 ( 0.379 0.000 -5.137) 5.151 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -4.432 1.018 1.410) 4.761 1.721 ( -4.613 -0.100 -0.828) 4.688 1.925 ( -17.350 -4.195 3.647) 18.218 2.134 ( -9.959 -1.049 10.232) 14.317 2.352 ( -3.851 -5.985 0.089) 7.118 2.503 ( 3.030 -13.041 -0.700) 13.407 2.629 ( 2.784 -0.468 -1.472) 3.184 2.837 ( -1.627 2.389 3.662) 4.665 2.972 ( -3.102 1.281 -1.392) 3.633 3.072 ( -0.909 0.573 -1.004) 1.471 3.164 ( -3.811 2.138 0.636) 4.416 3.248 ( -5.047 -0.903 -2.564) 5.733 3.302 ( 1.377 0.601 1.721) 2.284 3.322 ( -3.384 3.572 0.022) 4.921 3.376 ( -3.194 3.551 2.639) 5.457 3.562 ( -12.920 5.548 -0.580) 14.073 3.568 ( -9.522 2.980 1.834) 10.144 4.070 ( -2.545 -0.249 -9.856) 10.182 6.267 ( -4.517 -0.975 0.720) 4.676 6.381 ( -0.338 -2.641 -2.362) 3.560 6.640 ( 1.081 -1.071 0.777) 1.708 6.718 ( -0.450 -0.271 -1.488) 1.578 6.998 ( -0.115 -2.127 1.217) 2.453 7.093 ( -4.436 -0.504 0.858) 4.547 7.191 ( -8.561 -0.066 1.806) 8.749 7.242 ( -3.078 -1.542 2.393) 4.193 7.370 ( 3.565 1.972 -2.542) 4.802 7.584 ( -3.946 0.603 -4.961) 6.368 7.805 ( -1.536 -2.927 0.001) 3.306 7.945 ( -0.064 -4.842 -0.705) 4.894 8.027 ( 3.517 -1.569 1.707) 4.212 8.151 ( -0.165 1.980 -2.895) 3.511 8.464 ( -1.035 -0.504 -0.352) 1.204 8.559 ( -3.878 1.473 -1.093) 4.290 8.782 ( 3.553 -0.167 15.842) 16.236 9.592 ( 1.205 -0.100 -4.673) 4.826 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -13.610 3.263 4.902) 14.829 1.522 ( -18.540 -3.057 2.186) 18.917 1.688 ( -4.529 -2.377 2.254) 5.589 1.944 ( -9.823 -1.205 5.115) 11.140 2.297 ( -4.678 -4.944 0.578) 6.831 2.576 ( -5.500 -8.288 -0.584) 9.964 2.605 ( -6.240 -1.828 0.449) 6.517 2.764 ( -11.186 6.428 2.882) 13.219 2.842 ( -5.744 2.644 3.672) 7.312 2.938 ( -9.436 0.425 -3.421) 10.046 3.049 ( -5.790 1.038 -0.063) 5.882 3.170 ( -8.015 0.002 -1.494) 8.153 3.206 ( -0.708 -0.274 -1.406) 1.598 3.267 ( -0.308 1.533 0.138) 1.570 3.335 ( -3.305 1.612 0.599) 3.726 3.411 ( 2.533 1.123 5.659) 6.301 3.442 ( -0.725 4.686 -1.545) 4.987 4.050 ( 0.362 2.262 -10.012) 10.271 6.198 ( -2.992 -0.350 1.386) 3.316 6.393 ( -1.175 -1.715 -3.969) 4.481 6.560 ( -10.205 -0.868 2.344) 10.506 6.684 ( -3.446 -0.748 -1.074) 3.686 6.931 ( -7.022 -5.783 1.339) 9.195 7.014 ( -2.652 -1.867 0.582) 3.295 7.124 ( -0.371 -0.244 4.044) 4.068 7.215 ( 0.342 -2.790 -0.093) 2.812 7.408 ( -1.616 0.917 -5.598) 5.898 7.551 ( 2.522 0.974 -3.062) 4.085 7.762 ( -4.799 -3.230 -1.747) 6.043 7.908 ( -5.237 -0.657 -4.357) 6.844 8.087 ( 2.782 -1.049 5.467) 6.223 8.172 ( 2.633 -1.096 0.994) 3.020 8.467 ( -3.250 2.866 -3.005) 5.273 8.502 ( 3.662 0.178 -2.760) 4.589 8.874 ( 5.549 -0.516 16.788) 17.688 9.628 ( 2.297 -0.254 -3.902) 4.535 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -22.444 0.685 6.220) 23.300 1.205 ( -15.392 4.771 11.442) 19.764 1.656 ( -2.188 -3.434 -2.170) 4.614 1.774 ( -7.212 0.210 -3.367) 7.962 2.103 ( -26.441 11.923 11.517) 31.208 2.290 ( -6.449 -1.702 1.910) 6.938 2.380 ( -12.016 2.707 0.001) 12.317 2.604 ( -7.493 -4.722 1.265) 8.947 2.647 ( -13.653 -4.222 2.202) 14.459 2.875 ( -1.018 -1.968 -2.251) 3.159 2.954 ( -4.172 -0.807 -2.824) 5.102 3.061 ( -1.352 3.282 2.683) 4.449 3.222 ( 0.720 -1.095 -4.113) 4.317 3.263 ( -1.525 0.969 -1.564) 2.390 3.318 ( 0.996 -2.232 0.125) 2.447 3.381 ( 0.141 -1.049 0.729) 1.285 3.545 ( 8.391 4.505 3.136) 10.027 4.043 ( 0.935 4.965 -8.892) 10.227 6.131 ( -7.375 -0.434 0.364) 7.397 6.186 ( -14.731 0.653 -0.655) 14.760 6.485 ( 0.803 -1.875 -0.393) 2.077 6.594 ( -6.115 -2.194 -2.940) 7.131 6.822 ( -9.468 -10.976 4.265) 15.110 7.011 ( 0.504 -0.999 -0.366) 1.177 7.115 ( -0.555 -1.368 2.923) 3.275 7.280 ( 2.200 -2.976 -2.196) 4.303 7.343 ( -1.293 2.702 -4.975) 5.807 7.596 ( -0.513 -3.713 -0.129) 3.750 7.647 ( -7.569 -0.680 -2.219) 7.917 7.839 ( -0.292 1.496 -6.908) 7.074 8.156 ( 3.220 -0.910 5.786) 6.684 8.224 ( 2.095 1.343 -0.974) 2.673 8.389 ( -2.237 4.011 -2.191) 5.088 8.597 ( 5.270 -0.329 -3.439) 6.301 9.006 ( 7.589 -1.705 18.966) 20.499 9.682 ( 2.899 -0.375 -2.834) 4.071 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -14.144 8.395 11.564) 20.106 0.878 ( -13.335 9.407 17.066) 23.613 1.375 ( -27.507 15.478 14.107) 34.572 1.635 ( -6.241 0.385 -2.660) 6.795 1.726 ( 0.532 1.660 -8.911) 9.080 2.169 ( -5.790 -0.214 2.532) 6.323 2.267 ( -1.725 -4.637 5.154) 7.144 2.399 ( -11.325 -3.560 2.914) 12.224 2.482 ( -7.277 -2.302 0.110) 7.633 2.866 ( -2.431 -2.678 -0.618) 3.669 2.880 ( -2.865 -1.603 -0.907) 3.406 3.053 ( 2.171 5.498 2.171) 6.297 3.228 ( -1.317 -2.462 -1.124) 3.010 3.245 ( 0.736 -0.332 -6.199) 6.251 3.364 ( 1.070 -4.877 0.280) 5.001 3.421 ( 2.331 -2.308 1.574) 3.638 3.690 ( 10.037 7.211 0.356) 12.364 4.027 ( 0.717 6.253 -7.444) 9.748 5.833 ( -13.656 0.620 0.674) 13.686 5.994 ( -15.085 -2.149 -7.843) 17.138 6.496 ( -2.027 -5.074 0.495) 5.486 6.533 ( 0.276 -0.770 -1.111) 1.379 6.685 ( -10.996 -11.886 7.688) 17.924 7.033 ( 0.123 0.147 -4.176) 4.180 7.092 ( -1.453 -0.653 0.405) 1.643 7.286 ( 2.250 6.015 0.864) 6.480 7.378 ( 1.470 -1.267 -0.512) 2.007 7.510 ( -5.737 0.008 -0.108) 5.738 7.599 ( -1.912 -9.609 -4.022) 10.591 7.847 ( 1.334 3.254 -10.348) 10.929 8.208 ( 1.575 1.493 5.177) 5.613 8.220 ( -0.142 5.300 -3.232) 6.209 8.348 ( -0.070 2.148 2.006) 2.939 8.696 ( 3.971 -1.044 -3.685) 5.517 9.213 ( 11.772 -7.278 21.679) 25.720 9.737 ( 2.262 -0.332 -1.661) 2.826 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.000 21.003 11.689) 24.037 0.596 ( 0.000 15.156 20.098) 25.172 0.957 ( 0.000 9.115 35.758) 36.902 1.585 ( -0.000 -0.414 -10.176) 10.185 1.718 ( 0.000 1.867 -13.870) 13.995 2.156 ( -0.000 -0.043 7.134) 7.135 2.233 ( -0.000 -6.707 -2.166) 7.048 2.329 ( -0.000 -3.070 10.645) 11.079 2.401 ( -0.000 -0.523 -1.451) 1.542 2.833 ( -0.000 -1.524 0.365) 1.567 2.870 ( -0.000 -0.877 -0.463) 0.992 3.053 ( 0.000 4.123 3.107) 5.163 3.230 ( -0.000 -1.208 -1.021) 1.582 3.255 ( -0.000 -0.443 -7.245) 7.258 3.412 ( -0.000 -6.996 0.864) 7.049 3.476 ( -0.000 -5.847 1.888) 6.144 3.797 ( 0.000 11.547 -7.410) 13.720 4.000 ( 0.000 5.465 -6.785) 8.713 5.686 ( 0.000 0.688 0.346) 0.770 5.702 ( 0.000 0.165 -0.013) 0.165 6.536 ( -0.000 -0.508 -0.009) 0.508 6.545 ( -0.000 -0.497 -0.236) 0.551 6.588 ( -0.000 -14.819 12.611) 19.459 6.987 ( 0.000 7.428 -10.081) 12.522 7.113 ( -0.000 -4.032 4.986) 6.412 7.284 ( 0.000 7.226 4.863) 8.710 7.384 ( 0.000 0.120 0.549) 0.562 7.446 ( 0.000 0.168 -0.859) 0.875 7.648 ( -0.000 -11.673 -7.393) 13.818 7.835 ( 0.000 4.711 -10.454) 11.466 8.165 ( 0.000 6.950 0.730) 6.989 8.220 ( 0.000 1.783 3.644) 4.057 8.343 ( 0.000 0.925 4.076) 4.179 8.744 ( -0.000 -1.018 -4.124) 4.247 9.477 ( -0.000 -18.063 13.216) 22.381 9.764 ( -0.000 -0.052 -1.142) 1.143 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 6.677 0.000 2.025) 6.977 1.723 ( 1.894 0.000 -1.085) 2.183 2.039 ( 15.564 0.000 2.602) 15.780 2.154 ( 9.427 0.000 11.122) 14.580 2.446 ( 2.497 0.000 -3.988) 4.705 2.693 ( -4.328 -0.000 5.294) 6.838 2.749 ( 7.266 0.000 -0.727) 7.302 2.907 ( 2.657 0.000 0.240) 2.668 2.961 ( -5.907 -0.000 -3.117) 6.679 3.030 ( 11.612 0.000 2.457) 11.869 3.040 ( -2.028 -0.000 -3.490) 4.037 3.182 ( 0.438 0.000 2.838) 2.871 3.275 ( 2.159 0.000 0.043) 2.160 3.293 ( 3.122 0.000 -3.006) 4.334 3.330 ( 0.919 0.000 3.353) 3.477 3.405 ( 9.580 0.000 1.683) 9.727 3.521 ( 17.145 0.000 1.493) 17.210 4.075 ( 3.532 0.000 -10.027) 10.631 6.285 ( 4.913 0.000 0.795) 4.977 6.435 ( 0.626 0.000 -3.875) 3.925 6.667 ( -0.813 -0.000 1.819) 1.993 6.725 ( -0.071 -0.000 -0.917) 0.920 7.060 ( -5.353 -0.000 0.623) 5.389 7.086 ( 3.812 0.000 2.503) 4.560 7.198 ( 11.178 0.000 2.669) 11.492 7.264 ( 2.412 0.000 1.504) 2.842 7.334 ( -6.549 -0.000 -4.759) 8.095 7.565 ( 5.232 0.000 -3.733) 6.427 7.860 ( -0.140 -0.000 -0.766) 0.779 8.051 ( -3.534 -0.000 2.711) 4.454 8.061 ( 6.009 0.000 -7.940) 9.957 8.145 ( -5.412 -0.000 0.331) 5.422 8.470 ( 1.401 0.000 -0.286) 1.430 8.514 ( 6.517 0.000 -1.039) 6.599 8.776 ( -4.399 -0.000 17.601) 18.143 9.594 ( -1.357 -0.000 -4.544) 4.743 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 1.722 -0.055 0.720) 1.867 1.750 ( 0.864 -0.282 -0.449) 1.014 2.262 ( 7.388 0.613 1.234) 7.515 2.309 ( 5.152 0.091 10.962) 12.113 2.474 ( 1.297 0.109 0.670) 1.464 2.592 ( -4.926 1.650 3.133) 6.066 2.697 ( -11.218 4.201 -0.948) 12.016 2.920 ( 6.182 3.557 -0.381) 7.143 2.994 ( 3.942 -4.988 -1.413) 6.513 3.054 ( 1.685 -0.379 -2.209) 2.804 3.131 ( 2.089 -0.477 0.334) 2.169 3.174 ( -1.719 -1.287 1.754) 2.772 3.261 ( -2.711 -0.469 2.485) 3.707 3.353 ( 3.568 1.268 -3.142) 4.920 3.417 ( 4.995 -3.028 0.256) 5.847 3.581 ( 7.086 -0.328 1.839) 7.328 3.884 ( 16.648 1.313 0.066) 16.700 4.147 ( 3.685 -0.776 -8.163) 8.989 6.388 ( 5.348 0.198 0.116) 5.353 6.452 ( 1.179 0.551 -2.628) 2.933 6.610 ( -3.845 0.389 1.295) 4.076 6.700 ( -2.277 -0.023 -2.091) 3.092 6.958 ( -4.282 0.128 1.763) 4.633 7.174 ( 4.152 -0.102 0.855) 4.241 7.214 ( -4.510 -0.035 -1.267) 4.685 7.315 ( 2.903 -0.508 2.001) 3.563 7.409 ( 8.759 0.083 0.983) 8.815 7.666 ( 4.558 -0.086 -3.961) 6.039 7.846 ( -1.063 0.419 0.413) 1.215 7.981 ( -3.344 0.704 1.279) 3.649 8.010 ( -7.501 0.099 0.598) 7.525 8.127 ( 1.338 0.534 -8.780) 8.898 8.528 ( 3.551 0.010 1.760) 3.963 8.629 ( 4.776 0.474 -0.663) 4.845 8.712 ( -2.114 -0.772 17.121) 17.268 9.577 ( -0.452 -0.001 -4.968) 4.989 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.275 0.751 0.527) 1.570 1.764 ( 0.465 -1.108 -0.315) 1.242 2.328 ( -0.575 0.573 0.970) 1.264 2.338 ( -0.745 0.052 5.277) 5.330 2.435 ( -6.507 3.849 0.629) 7.586 2.481 ( -5.223 0.716 -0.229) 5.276 2.561 ( 1.040 -0.390 9.642) 9.705 2.963 ( 0.530 2.854 0.334) 2.922 3.055 ( -0.194 -2.779 -1.104) 2.996 3.115 ( -0.944 -3.080 0.136) 3.224 3.172 ( 4.972 0.487 -0.019) 4.996 3.185 ( 1.284 -0.098 -0.383) 1.343 3.220 ( 0.693 -0.383 0.970) 1.252 3.403 ( 2.283 2.032 -3.200) 4.425 3.519 ( 3.104 -4.276 -1.156) 5.409 3.673 ( 2.114 -1.069 1.278) 2.692 4.065 ( 4.478 8.020 -1.326) 9.280 4.243 ( 3.635 -5.268 -5.458) 8.412 6.463 ( 0.474 0.780 -0.173) 0.929 6.472 ( 1.643 -0.056 -0.057) 1.645 6.530 ( -3.464 0.300 -0.826) 3.574 6.656 ( -1.340 -0.037 -2.882) 3.178 6.911 ( -0.409 -0.026 2.527) 2.560 7.122 ( -3.182 0.005 -2.610) 4.115 7.276 ( 4.031 0.104 3.133) 5.106 7.379 ( 3.120 -1.273 2.577) 4.242 7.524 ( 2.994 0.175 -0.800) 3.104 7.717 ( -0.488 0.153 -4.820) 4.847 7.815 ( -1.282 1.258 0.832) 1.979 7.884 ( -4.253 -1.100 1.393) 4.609 7.920 ( -2.466 0.377 1.293) 2.810 8.134 ( 0.361 0.809 -8.166) 8.214 8.579 ( 1.224 -0.083 2.071) 2.407 8.665 ( 0.454 1.999 12.125) 12.297 8.720 ( 1.064 -1.995 4.161) 4.735 9.574 ( -0.033 -0.006 -5.242) 5.242 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.085 0.920 0.690) 1.153 1.791 ( 1.397 -0.268 -0.598) 1.543 2.232 ( -5.852 -0.462 2.199) 6.268 2.322 ( -0.753 -0.469 4.556) 4.642 2.340 ( -3.919 0.113 0.509) 3.953 2.401 ( -4.134 -2.670 -0.922) 5.007 2.564 ( -1.128 -0.029 10.256) 10.318 2.940 ( -1.120 1.621 0.836) 2.141 3.053 ( -1.992 -2.932 -0.853) 3.646 3.085 ( -1.959 -1.509 0.808) 2.602 3.187 ( 1.442 0.071 -1.406) 2.016 3.239 ( 2.338 2.454 0.685) 3.458 3.305 ( 3.658 -0.336 -0.779) 3.755 3.421 ( 1.448 3.418 -2.722) 4.603 3.568 ( -0.899 -1.972 -1.316) 2.536 3.701 ( 0.122 -4.199 1.152) 4.356 4.022 ( -2.741 9.644 -1.094) 10.086 4.280 ( -3.449 -4.279 -5.344) 7.666 6.415 ( -3.839 -0.648 0.881) 3.992 6.441 ( -4.472 -0.881 -0.564) 4.593 6.522 ( 1.843 0.055 -1.166) 2.182 6.671 ( 2.298 0.416 -2.884) 3.711 6.931 ( 2.130 0.804 2.513) 3.391 7.090 ( -0.349 -1.220 -1.754) 2.165 7.314 ( 0.096 1.555 2.921) 3.311 7.429 ( 0.298 -0.511 2.202) 2.280 7.522 ( -2.936 0.402 -1.334) 3.250 7.663 ( -2.811 -1.408 -3.372) 4.610 7.794 ( -0.856 0.536 -0.302) 1.054 7.853 ( -0.706 -1.769 0.822) 2.075 7.891 ( -0.253 -0.562 2.491) 2.566 8.147 ( 1.647 1.263 -8.290) 8.546 8.573 ( -1.891 -0.292 1.680) 2.547 8.660 ( 0.131 1.779 12.359) 12.487 8.734 ( -0.675 -1.515 4.062) 4.387 9.574 ( 0.076 0.010 -5.345) 5.345 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -1.596 0.373 0.889) 1.865 1.793 ( -1.416 0.969 -0.850) 1.915 2.125 ( -9.526 -4.920 3.253) 11.204 2.259 ( -3.694 -3.090 1.771) 5.131 2.292 ( -3.674 -1.870 8.095) 9.084 2.345 ( -3.822 -5.280 -1.261) 6.639 2.566 ( 2.993 0.856 3.501) 4.685 2.900 ( -2.577 0.415 1.591) 3.057 3.021 ( -1.219 -0.323 -1.915) 2.292 3.075 ( -0.083 -0.055 0.243) 0.263 3.229 ( 1.545 0.982 -0.278) 1.852 3.257 ( 1.848 1.598 1.153) 2.701 3.318 ( -2.254 -0.303 -1.476) 2.711 3.420 ( -0.667 3.051 -2.091) 3.759 3.505 ( -4.363 1.250 1.424) 4.757 3.717 ( -2.815 -4.192 1.732) 5.338 3.867 ( -7.068 9.236 -1.930) 11.789 4.170 ( -8.340 -1.991 -7.043) 11.096 6.345 ( -5.451 -1.227 -0.203) 5.592 6.360 ( -2.355 -2.172 -0.381) 3.226 6.574 ( 3.131 -0.394 -0.184) 3.161 6.708 ( 1.375 0.297 -2.617) 2.971 6.968 ( 2.042 1.309 2.370) 3.391 7.113 ( 0.464 -2.988 -0.923) 3.162 7.262 ( -3.769 1.369 2.612) 4.785 7.394 ( -4.702 1.045 0.734) 4.873 7.413 ( -5.120 1.696 0.056) 5.393 7.638 ( -2.378 -2.545 -5.066) 6.148 7.779 ( -0.404 -0.761 0.950) 1.283 7.862 ( 0.075 -3.321 1.114) 3.503 7.925 ( 3.131 -1.165 2.610) 4.239 8.176 ( 1.955 2.028 -8.176) 8.647 8.513 ( -4.066 -0.568 1.394) 4.336 8.637 ( -1.976 1.259 3.715) 4.392 8.733 ( 0.594 -0.975 12.286) 12.339 9.577 ( 0.347 -0.001 -5.205) 5.217 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -3.709 0.687 0.835) 3.863 1.720 ( -5.878 -0.078 -0.766) 5.928 1.887 ( -15.606 -2.142 4.444) 16.368 2.123 ( -9.954 -0.875 9.941) 14.095 2.280 ( -3.553 -6.183 1.199) 7.231 2.353 ( 0.774 -12.559 -0.033) 12.583 2.634 ( 2.121 0.889 -3.333) 4.049 2.860 ( 0.070 1.528 4.660) 4.904 2.995 ( -2.015 2.256 -2.598) 3.987 3.074 ( -0.822 0.029 0.340) 0.890 3.190 ( -4.534 2.146 -0.456) 5.037 3.235 ( -5.518 -1.190 -2.830) 6.314 3.309 ( 1.847 0.511 2.004) 2.773 3.338 ( -4.453 0.407 1.372) 4.678 3.435 ( -1.235 5.283 1.881) 5.742 3.585 ( -11.405 1.313 1.372) 11.562 3.636 ( -11.667 5.666 -0.803) 12.994 4.067 ( -1.524 -0.197 -9.806) 9.925 6.255 ( -4.211 -1.000 0.705) 4.385 6.350 ( -0.122 -2.590 -1.660) 3.079 6.629 ( 1.063 -0.871 0.253) 1.397 6.715 ( -0.754 -0.187 -1.788) 1.950 6.978 ( -2.282 -1.186 1.385) 2.921 7.081 ( -4.807 -1.555 -0.071) 5.053 7.190 ( -6.767 -0.067 1.987) 7.053 7.223 ( -5.044 -1.456 3.357) 6.232 7.396 ( 2.175 2.336 -2.154) 3.851 7.587 ( -2.917 -0.111 -5.936) 6.615 7.773 ( -1.652 -2.232 0.986) 2.947 7.891 ( 0.184 -4.528 0.048) 4.532 8.013 ( 4.764 -0.767 2.523) 5.445 8.175 ( -1.473 2.003 -3.760) 4.508 8.457 ( -0.784 -0.647 -0.365) 1.080 8.573 ( -3.513 1.014 -1.382) 3.909 8.778 ( 3.434 -0.498 15.699) 16.078 9.591 ( 1.121 -0.097 -4.746) 4.877 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -17.855 0.476 1.775) 17.950 1.527 ( -10.136 2.853 3.691) 11.158 1.668 ( -4.867 -0.674 3.557) 6.066 1.930 ( -9.672 -1.076 6.930) 11.947 2.234 ( -4.332 -5.921 0.496) 7.353 2.439 ( -1.570 -13.518 0.973) 13.643 2.602 ( -5.204 -0.200 -1.967) 5.567 2.812 ( -8.162 1.576 4.115) 9.276 2.893 ( -8.969 5.527 0.839) 10.569 2.961 ( -8.025 3.523 -3.275) 9.356 3.060 ( -5.881 0.954 -0.436) 5.974 3.170 ( -3.957 -0.257 -3.482) 5.277 3.218 ( -7.584 2.482 0.588) 8.001 3.286 ( 0.064 1.635 0.446) 1.696 3.346 ( -5.035 0.477 0.937) 5.144 3.414 ( -2.393 -0.439 3.905) 4.601 3.494 ( 1.283 3.906 0.104) 4.113 4.078 ( 2.277 2.493 -9.839) 10.402 6.194 ( -2.580 -0.344 1.498) 3.003 6.371 ( -0.195 -1.849 -3.229) 3.726 6.550 ( -10.433 -0.843 1.948) 10.646 6.675 ( -4.012 -0.858 -1.496) 4.367 6.864 ( -9.830 -5.566 1.494) 11.395 6.992 ( -2.589 -1.964 -1.091) 3.428 7.120 ( -1.374 -0.475 4.262) 4.504 7.181 ( -0.964 -3.077 1.298) 3.476 7.418 ( -0.731 0.786 -3.834) 3.981 7.565 ( 1.518 1.345 -3.481) 4.028 7.733 ( -3.677 -1.805 -1.134) 4.250 7.890 ( -3.249 -2.423 -3.637) 5.446 8.082 ( 1.803 0.140 5.201) 5.506 8.161 ( 2.845 -0.822 1.341) 3.251 8.493 ( 0.404 1.189 -4.021) 4.213 8.507 ( 0.778 0.798 -2.346) 2.597 8.867 ( 5.212 -0.664 16.071) 16.908 9.625 ( 2.181 -0.276 -3.930) 4.503 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -16.303 7.854 5.261) 18.845 1.266 ( -13.358 5.252 10.535) 17.805 1.617 ( -2.621 -2.898 0.281) 3.918 1.775 ( -6.028 -0.047 -0.796) 6.080 2.167 ( -8.522 -1.601 4.165) 9.620 2.314 ( -16.405 4.184 4.949) 17.639 2.414 ( -12.494 2.899 0.327) 12.830 2.565 ( -8.941 -0.265 1.361) 9.048 2.599 ( -14.124 -3.621 3.267) 14.942 2.857 ( -3.252 -1.028 -2.861) 4.452 2.935 ( -6.354 -1.907 -3.274) 7.398 3.107 ( 1.572 4.120 0.294) 4.420 3.208 ( 0.611 -1.279 -3.330) 3.619 3.252 ( -6.111 -3.297 -1.013) 7.017 3.307 ( 1.893 0.760 -0.314) 2.064 3.371 ( -0.222 -0.837 -0.298) 0.916 3.586 ( 7.756 2.616 3.995) 9.108 4.105 ( 2.551 5.489 -8.862) 10.732 6.129 ( -7.530 0.107 0.388) 7.541 6.191 ( -14.452 0.217 -1.091) 14.494 6.459 ( -0.426 -2.609 0.669) 2.727 6.557 ( -8.347 -4.267 -2.955) 9.830 6.715 ( -8.654 -7.059 5.722) 12.549 6.998 ( 0.703 -1.345 -1.326) 2.015 7.096 ( -1.120 -2.031 2.482) 3.398 7.229 ( 2.499 -5.221 -1.176) 5.907 7.376 ( -1.389 2.517 -3.283) 4.364 7.569 ( -2.096 -0.634 2.084) 3.023 7.643 ( -6.323 -0.238 -3.084) 7.039 7.847 ( 0.105 -0.060 -6.994) 6.995 8.144 ( 3.975 -1.025 5.965) 7.241 8.235 ( 3.516 0.660 0.253) 3.586 8.435 ( -1.949 3.642 -3.606) 5.483 8.593 ( 4.850 -0.326 -3.758) 6.144 8.986 ( 6.370 -1.607 17.491) 18.684 9.677 ( 2.778 -0.495 -2.815) 3.986 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -4.305 18.050 8.436) 20.384 0.985 ( -9.861 9.134 17.665) 22.197 1.514 ( -14.122 4.996 -3.891) 15.477 1.676 ( -10.519 7.233 5.867) 14.050 1.766 ( -4.203 7.395 -1.078) 8.574 2.156 ( -7.304 -2.378 2.061) 7.953 2.224 ( -3.647 -2.032 3.468) 5.428 2.354 ( -10.646 -3.886 6.150) 12.894 2.453 ( -6.276 -2.730 -0.511) 6.863 2.830 ( -2.419 -3.423 -0.822) 4.271 2.856 ( -2.368 -2.479 -0.972) 3.563 3.118 ( 1.480 4.777 -1.742) 5.296 3.174 ( -3.279 -6.116 -0.952) 7.005 3.233 ( 0.712 -1.367 -4.725) 4.970 3.337 ( 1.077 -0.233 -1.188) 1.620 3.399 ( 1.607 -1.737 -0.190) 2.374 3.745 ( 9.694 2.154 0.819) 9.964 4.109 ( 1.591 7.495 -7.519) 10.736 5.842 ( -13.195 0.995 0.463) 13.240 5.964 ( -16.840 -2.963 -6.437) 18.270 6.419 ( -3.059 -7.115 8.111) 11.215 6.521 ( 0.780 -1.217 -0.825) 1.664 6.599 ( -6.673 -4.124 5.975) 9.861 7.023 ( 1.151 -1.314 -2.123) 2.749 7.083 ( -1.502 -1.232 -0.341) 1.973 7.321 ( 3.899 -3.020 -1.894) 5.283 7.362 ( 1.241 0.927 -0.947) 1.816 7.506 ( -4.481 -1.036 1.686) 4.899 7.521 ( -5.362 -2.208 -2.159) 6.187 7.871 ( 1.426 0.909 -10.178) 10.318 8.219 ( 2.957 0.637 5.114) 5.941 8.272 ( 1.187 3.276 -2.244) 4.144 8.384 ( -0.820 3.822 -1.205) 4.090 8.682 ( 3.474 -1.232 -3.630) 5.174 9.137 ( 6.980 -5.552 20.228) 22.107 9.731 ( 2.150 -0.684 -1.631) 2.784 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 18.255 12.089) 21.895 0.811 ( 0.000 20.862 13.800) 25.013 1.118 ( 0.000 18.215 21.325) 28.045 1.583 ( 0.000 0.455 -4.135) 4.160 1.749 ( 0.000 3.333 -12.371) 12.812 2.140 ( -0.000 -8.526 1.304) 8.625 2.156 ( -0.000 -0.102 6.508) 6.509 2.287 ( -0.000 -3.918 9.228) 10.025 2.391 ( -0.000 -1.197 -1.520) 1.935 2.808 ( -0.000 -2.721 0.503) 2.767 2.855 ( -0.000 -1.699 -0.559) 1.789 3.109 ( 0.000 4.331 -0.731) 4.392 3.183 ( -0.000 -6.066 -0.782) 6.116 3.248 ( -0.000 -1.127 -5.764) 5.873 3.353 ( -0.000 -2.088 -0.545) 2.158 3.433 ( -0.000 -2.785 0.230) 2.795 3.875 ( 0.000 2.177 -7.370) 7.685 4.080 ( 0.000 7.869 -6.722) 10.350 5.698 ( 0.000 1.246 0.238) 1.268 5.705 ( 0.000 0.320 0.074) 0.328 6.452 ( -0.000 -8.646 17.687) 19.687 6.527 ( -0.000 -0.928 -0.000) 0.928 6.537 ( -0.000 -0.902 -0.234) 0.932 7.036 ( 0.000 1.314 -6.972) 7.095 7.076 ( -0.000 -2.249 2.317) 3.229 7.362 ( 0.000 5.788 1.652) 6.019 7.386 ( 0.000 0.224 0.561) 0.604 7.448 ( 0.000 0.284 -0.863) 0.908 7.504 ( -0.000 -12.436 -5.258) 13.502 7.876 ( 0.000 2.209 -11.271) 11.486 8.237 ( 0.000 3.119 4.598) 5.556 8.253 ( 0.000 5.021 -3.624) 6.193 8.361 ( 0.000 2.349 2.339) 3.315 8.728 ( -0.000 -1.694 -3.825) 4.183 9.286 ( -0.000 -13.433 20.600) 24.593 9.758 ( -0.000 -0.751 -1.012) 1.260 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 2.087 0.000 0.368) 2.119 1.756 ( -0.150 -0.000 -0.129) 0.198 2.331 ( -0.390 -0.000 0.645) 0.754 2.339 ( -0.819 -0.000 5.559) 5.619 2.459 ( -4.554 -0.000 0.325) 4.565 2.487 ( -9.871 -0.000 -0.163) 9.872 2.557 ( 1.418 0.000 9.688) 9.791 3.004 ( -0.294 -0.000 -0.145) 0.328 3.009 ( 0.454 0.000 -1.950) 2.002 3.100 ( -1.010 -0.000 1.991) 2.233 3.177 ( 6.379 0.000 0.039) 6.379 3.185 ( 0.998 0.000 -0.514) 1.123 3.218 ( 0.849 0.000 1.138) 1.420 3.420 ( 2.718 0.000 -4.926) 5.626 3.488 ( 3.151 0.000 0.588) 3.206 3.668 ( 1.904 0.000 1.310) 2.311 4.133 ( 7.404 0.000 -1.132) 7.490 4.192 ( 1.082 0.000 -6.148) 6.243 6.469 ( 1.775 0.000 -0.290) 1.798 6.470 ( -0.088 -0.000 -0.000) 0.088 6.532 ( -3.647 -0.000 -0.800) 3.733 6.656 ( -1.220 -0.000 -2.888) 3.135 6.911 ( -0.321 -0.000 2.506) 2.526 7.122 ( -3.372 -0.000 -2.503) 4.199 7.277 ( 4.525 0.000 2.911) 5.380 7.371 ( 2.935 0.000 2.698) 3.987 7.525 ( 3.022 0.000 -0.722) 3.107 7.718 ( -0.406 -0.000 -4.907) 4.924 7.824 ( -1.188 -0.000 0.577) 1.321 7.876 ( -4.860 -0.000 1.821) 5.190 7.923 ( -2.671 -0.000 1.113) 2.894 8.139 ( 0.356 0.000 -8.060) 8.068 8.578 ( 1.187 0.000 2.157) 2.462 8.684 ( -0.408 -0.000 17.672) 17.677 8.701 ( 2.032 0.000 -1.534) 2.546 9.573 ( -0.030 -0.000 -5.234) 5.234 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.750 0.488 0.538) 1.044 1.787 ( 2.528 -0.245 -0.420) 2.575 2.231 ( -8.141 0.073 2.046) 8.394 2.318 ( -1.210 -0.199 4.248) 4.422 2.348 ( -4.777 1.338 0.272) 4.969 2.371 ( -4.819 -2.361 -0.324) 5.376 2.563 ( -0.869 -0.015 10.050) 10.087 2.963 ( -2.062 2.231 1.035) 3.210 3.013 ( -1.243 -3.195 -1.607) 3.787 3.079 ( -0.531 -0.124 1.347) 1.453 3.187 ( 1.439 0.013 -1.436) 2.033 3.263 ( 2.126 1.457 0.917) 2.736 3.298 ( 3.676 -0.725 -0.094) 3.748 3.458 ( 1.894 2.435 -4.648) 5.579 3.542 ( 1.269 -2.010 -0.065) 2.378 3.669 ( -1.374 -1.357 2.331) 3.027 4.128 ( -2.768 8.511 -2.973) 9.431 4.216 ( -2.989 -6.611 -4.609) 8.596 6.410 ( -4.561 -0.213 1.013) 4.677 6.434 ( -4.600 -0.344 -0.624) 4.655 6.523 ( 1.734 0.028 -1.237) 2.130 6.674 ( 2.329 0.161 -2.903) 3.725 6.938 ( 2.703 0.385 2.443) 3.664 7.079 ( -1.180 -0.552 -1.382) 1.899 7.329 ( 0.302 0.776 2.577) 2.708 7.422 ( 1.585 -0.482 2.118) 2.689 7.526 ( -2.829 0.219 -1.038) 3.021 7.652 ( -4.175 -0.539 -3.574) 5.522 7.801 ( -1.002 0.540 -0.514) 1.249 7.836 ( -0.991 -1.035 1.293) 1.930 7.887 ( -0.566 -0.151 2.442) 2.511 8.158 ( 1.782 0.502 -8.209) 8.416 8.570 ( -1.965 -0.109 1.793) 2.662 8.682 ( 0.374 1.715 14.577) 14.682 8.714 ( -0.906 -1.624 1.566) 2.431 9.574 ( 0.081 0.004 -5.357) 5.358 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -1.685 0.232 0.982) 1.964 1.802 ( -1.519 0.568 -0.863) 1.837 2.075 ( -9.139 -3.266 3.840) 10.438 2.235 ( -5.396 -0.979 0.520) 5.509 2.280 ( -4.794 -0.659 8.264) 9.576 2.293 ( -5.014 -3.583 -0.816) 6.217 2.575 ( 3.519 0.580 3.405) 4.931 2.901 ( -3.314 -0.016 2.052) 3.898 3.021 ( 1.132 0.179 -2.634) 2.873 3.075 ( -0.047 -0.012 0.393) 0.396 3.233 ( 2.163 0.022 -0.518) 2.224 3.277 ( 0.733 1.479 1.388) 2.157 3.315 ( -2.017 -0.343 -1.326) 2.438 3.440 ( -3.895 0.728 -1.774) 4.342 3.530 ( -1.192 2.670 1.329) 3.212 3.671 ( -0.774 -3.460 2.199) 4.172 3.964 ( -9.193 7.311 -2.456) 12.000 4.138 ( -6.836 -3.408 -7.130) 10.449 6.333 ( -5.365 -0.722 -0.229) 5.418 6.340 ( -2.739 -1.254 -0.051) 3.012 6.571 ( 2.945 -0.153 -0.416) 2.978 6.711 ( 1.191 0.185 -2.717) 2.973 6.986 ( 2.186 1.782 2.277) 3.625 7.079 ( -0.353 -2.813 -0.237) 2.845 7.274 ( -4.573 0.778 2.629) 5.332 7.400 ( -7.224 0.175 0.146) 7.227 7.438 ( -1.738 2.033 0.208) 2.683 7.607 ( -1.949 -2.455 -4.565) 5.538 7.778 ( -0.973 0.381 0.070) 1.047 7.829 ( -0.591 -2.357 1.533) 2.873 7.916 ( 3.266 -0.498 2.943) 4.424 8.195 ( 2.143 1.177 -8.258) 8.612 8.508 ( -4.200 -0.353 1.468) 4.463 8.652 ( -2.712 1.178 0.907) 3.093 8.720 ( 1.215 -1.106 14.911) 15.002 9.577 ( 0.324 -0.001 -5.253) 5.263 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -3.638 0.250 0.195) 3.652 1.719 ( -6.678 -0.067 -0.763) 6.721 1.879 ( -11.622 0.603 5.353) 12.809 2.115 ( -9.603 -0.515 9.767) 13.707 2.210 ( -1.892 -7.247 3.066) 8.093 2.226 ( -4.530 -7.491 -1.059) 8.818 2.645 ( 1.258 0.872 -4.205) 4.475 2.875 ( 2.144 1.272 4.844) 5.448 3.011 ( -2.764 0.290 -2.593) 3.801 3.082 ( 0.163 1.534 0.480) 1.615 3.209 ( -5.219 1.023 -1.405) 5.501 3.223 ( -5.461 -0.835 -2.461) 6.048 3.314 ( 2.126 0.388 2.146) 3.046 3.341 ( -3.854 0.172 2.007) 4.348 3.486 ( -1.931 3.475 1.742) 4.341 3.596 ( -8.768 0.615 1.333) 8.890 3.692 ( -14.565 3.832 -1.276) 15.114 4.065 ( -0.287 -0.110 -9.796) 9.801 6.245 ( -3.917 -0.745 0.712) 4.050 6.324 ( 0.088 -1.899 -1.141) 2.217 6.621 ( 0.962 -0.544 -0.155) 1.116 6.713 ( -1.014 -0.101 -2.028) 2.270 6.971 ( -4.573 0.047 1.307) 4.757 7.058 ( -3.943 -2.394 -0.231) 4.619 7.188 ( -4.797 -0.247 2.740) 5.530 7.211 ( -7.996 -0.579 3.428) 8.719 7.422 ( 0.909 2.174 -2.046) 3.120 7.580 ( -1.535 -0.983 -6.571) 6.819 7.758 ( -1.306 -0.337 1.320) 1.887 7.842 ( 0.027 -3.796 0.949) 3.913 8.008 ( 5.459 -0.234 2.771) 6.126 8.195 ( -2.337 1.435 -4.182) 5.001 8.450 ( -0.533 -0.532 -0.423) 0.864 8.582 ( -3.534 0.530 -1.828) 4.014 8.771 ( 3.508 -0.512 15.953) 16.343 9.590 ( 1.051 -0.071 -4.808) 4.922 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -12.090 3.284 -0.229) 12.531 1.548 ( -9.988 0.721 1.651) 10.149 1.686 ( -4.817 4.118 5.945) 8.690 1.920 ( -9.745 -0.707 9.925) 13.927 2.165 ( -4.208 -5.773 -0.549) 7.165 2.275 ( -0.636 -14.548 1.881) 14.682 2.599 ( -4.892 -0.252 -2.564) 5.529 2.814 ( -11.505 -0.551 3.530) 12.046 2.958 ( -7.224 5.453 -0.924) 9.098 3.004 ( -1.105 3.248 -1.585) 3.779 3.071 ( -7.684 0.924 -1.013) 7.806 3.165 ( -1.273 -0.465 -4.009) 4.232 3.259 ( -11.397 4.291 0.377) 12.184 3.303 ( 0.328 1.335 0.596) 1.499 3.346 ( -7.962 -0.605 0.847) 8.030 3.404 ( -5.087 -1.096 2.837) 5.927 3.530 ( 0.932 2.285 1.641) 2.964 4.105 ( 3.882 2.098 -9.656) 10.617 6.190 ( -2.106 -0.261 1.615) 2.667 6.352 ( 0.746 -1.497 -2.594) 3.087 6.541 ( -10.566 -0.660 1.536) 10.698 6.665 ( -4.965 -0.848 -1.939) 5.397 6.807 ( -11.605 -4.146 1.934) 12.474 6.969 ( -2.923 -1.869 -2.577) 4.322 7.113 ( -2.620 -0.618 4.091) 4.897 7.148 ( -1.359 -2.349 3.218) 4.209 7.426 ( -0.541 0.668 -2.539) 2.681 7.580 ( 1.536 1.216 -4.995) 5.365 7.722 ( -2.535 0.063 -0.175) 2.542 7.854 ( -1.812 -3.554 -2.102) 4.509 8.090 ( 0.784 1.095 4.225) 4.434 8.151 ( 2.736 -0.900 1.629) 3.309 8.497 ( 3.931 0.027 -3.985) 5.597 8.519 ( -2.100 0.962 -2.700) 3.554 8.859 ( 5.027 -0.597 15.568) 16.370 9.622 ( 2.069 -0.231 -3.965) 4.478 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -9.134 13.026 2.349) 16.082 1.315 ( -12.240 2.883 8.092) 14.953 1.605 ( -2.886 1.504 4.171) 5.290 1.771 ( -5.303 -0.684 3.054) 6.158 2.120 ( -4.184 -5.130 0.413) 6.633 2.296 ( -6.331 -7.310 3.826) 10.400 2.438 ( -11.741 1.306 0.623) 11.830 2.554 ( -14.681 -3.119 4.737) 15.738 2.643 ( -16.149 10.699 0.601) 19.381 2.853 ( -6.413 0.436 -2.510) 6.900 2.921 ( -7.811 0.027 -3.430) 8.531 3.146 ( 2.355 2.451 -2.624) 4.294 3.196 ( 0.982 -0.665 -2.226) 2.522 3.201 ( -9.143 -5.184 -0.241) 10.513 3.321 ( 1.553 1.109 -0.922) 2.120 3.360 ( -0.427 -1.101 -1.042) 1.575 3.605 ( 6.262 0.692 5.479) 8.349 4.165 ( 3.927 4.813 -8.950) 10.894 6.133 ( -7.032 0.552 0.290) 7.059 6.191 ( -14.963 -0.078 -1.230) 15.013 6.426 ( -4.092 -2.890 1.948) 5.375 6.502 ( -7.870 -4.758 -1.358) 9.296 6.659 ( -6.082 -3.150 4.354) 8.115 6.979 ( 1.053 -2.031 -2.954) 3.736 7.070 ( -1.941 -2.396 2.181) 3.777 7.172 ( 1.232 -4.144 0.987) 4.434 7.398 ( -1.155 1.349 -1.403) 2.263 7.579 ( -1.402 2.023 0.551) 2.522 7.643 ( -5.902 0.369 -2.163) 6.297 7.837 ( 0.179 -1.745 -5.820) 6.079 8.133 ( 4.188 -0.901 5.265) 6.787 8.240 ( 4.277 0.211 1.259) 4.464 8.471 ( -1.441 2.514 -3.892) 4.852 8.590 ( 4.578 -0.208 -4.267) 6.262 8.970 ( 5.658 -1.186 16.257) 17.254 9.671 ( 2.630 -0.479 -2.823) 3.888 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -4.662 15.457 9.122) 18.544 1.090 ( -2.307 12.043 11.194) 16.603 1.525 ( -6.046 -0.054 -2.067) 6.389 1.726 ( -0.697 1.745 -1.509) 2.410 1.916 ( -14.664 13.912 7.109) 21.426 2.127 ( -7.589 -1.143 2.650) 8.119 2.218 ( -6.203 0.442 1.738) 6.457 2.315 ( -10.471 -2.813 7.110) 12.965 2.422 ( -5.943 -2.308 -0.867) 6.434 2.791 ( -2.606 -3.160 -1.024) 4.222 2.825 ( -2.298 -2.627 -1.030) 3.639 3.076 ( -6.591 -8.175 -0.442) 10.510 3.172 ( 1.366 1.624 -5.627) 6.014 3.227 ( 1.747 0.874 -3.856) 4.323 3.340 ( 0.774 0.164 -2.110) 2.254 3.381 ( 1.215 -1.274 -0.931) 1.991 3.745 ( 7.394 -1.744 3.441) 8.340 4.194 ( 2.325 7.013 -7.938) 10.844 5.855 ( -12.748 1.203 0.226) 12.806 5.931 ( -17.102 -2.584 -4.234) 17.807 6.350 ( -1.346 -4.655 10.855) 11.887 6.506 ( 1.170 -1.377 -0.618) 1.910 6.566 ( -4.939 -2.037 3.330) 6.296 7.007 ( 0.888 -1.497 -2.205) 2.809 7.060 ( -1.017 -2.678 -0.449) 2.899 7.244 ( 2.576 -7.658 -1.865) 8.292 7.382 ( 0.462 1.328 0.220) 1.424 7.512 ( -4.745 0.543 -1.192) 4.923 7.524 ( -3.526 3.269 1.653) 5.085 7.869 ( 1.368 -1.141 -8.406) 8.593 8.221 ( 3.637 -0.226 4.072) 5.464 8.298 ( 1.981 1.400 -0.065) 2.427 8.429 ( -0.952 3.675 -3.341) 5.057 8.669 ( 2.998 -0.898 -3.979) 5.062 9.087 ( 4.768 -3.200 18.090) 18.980 9.722 ( 1.983 -0.776 -1.679) 2.712 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 12.081 17.012) 20.865 1.058 ( 0.000 21.320 9.438) 23.316 1.327 ( 0.000 14.241 -1.430) 14.313 1.621 ( 0.000 8.144 8.914) 12.074 1.792 ( 0.000 4.092 -10.132) 10.927 2.053 ( -0.000 -5.820 3.904) 7.008 2.154 ( -0.000 -0.165 5.474) 5.476 2.242 ( -0.000 -3.689 7.619) 8.465 2.372 ( -0.000 -2.238 -1.579) 2.739 2.773 ( -0.000 -3.220 0.660) 3.287 2.831 ( -0.000 -2.353 -0.673) 2.447 3.064 ( -0.000 -9.710 -0.997) 9.761 3.177 ( 0.000 2.295 -5.031) 5.530 3.240 ( 0.000 0.592 -4.249) 4.290 3.347 ( 0.000 0.164 -2.018) 2.025 3.405 ( -0.000 -2.031 -0.735) 2.160 3.861 ( -0.000 -3.763 -2.461) 4.496 4.173 ( 0.000 7.980 -7.153) 10.717 5.709 ( 0.000 0.436 0.195) 0.478 5.714 ( 0.000 1.555 0.087) 1.557 6.378 ( -0.000 -4.620 16.445) 17.082 6.515 ( -0.000 -1.170 0.013) 1.170 6.525 ( -0.000 -1.125 -0.232) 1.149 7.028 ( -0.000 -1.761 -2.307) 2.903 7.059 ( -0.000 -1.406 -1.454) 2.022 7.338 ( -0.000 -10.764 -3.039) 11.184 7.389 ( 0.000 0.289 0.573) 0.641 7.452 ( 0.000 0.320 -0.864) 0.921 7.455 ( 0.000 5.359 0.758) 5.413 7.887 ( -0.000 -0.145 -9.848) 9.849 8.257 ( 0.000 0.851 4.257) 4.342 8.303 ( 0.000 2.912 -2.357) 3.746 8.398 ( 0.000 3.716 -1.160) 3.893 8.708 ( -0.000 -1.597 -3.716) 4.045 9.172 ( -0.000 -6.874 19.851) 21.007 9.748 ( -0.000 -0.958 -1.095) 1.455 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -1.722 -0.000 1.022) 2.002 1.805 ( -1.563 -0.000 -0.858) 1.783 2.055 ( -9.207 -0.000 4.022) 10.047 2.231 ( -6.288 -0.000 0.323) 6.296 2.269 ( -5.039 -0.000 -0.600) 5.075 2.276 ( -5.112 -0.000 8.021) 9.512 2.578 ( 3.729 0.000 3.371) 5.027 2.901 ( -3.580 -0.000 2.227) 4.216 3.022 ( 1.934 0.000 -2.912) 3.496 3.075 ( 0.030 0.000 0.412) 0.413 3.233 ( 2.194 0.000 -0.584) 2.270 3.286 ( 0.479 0.000 1.733) 1.798 3.312 ( -1.911 -0.000 -1.533) 2.450 3.444 ( -4.943 -0.000 -1.388) 5.134 3.550 ( -0.430 -0.000 0.804) 0.912 3.647 ( 0.161 0.000 2.615) 2.620 4.017 ( -12.111 -0.000 -1.807) 12.245 4.108 ( -4.118 -0.000 -7.993) 8.992 6.329 ( -5.382 -0.000 -0.241) 5.388 6.332 ( -2.835 -0.000 0.064) 2.835 6.570 ( 2.879 0.000 -0.494) 2.921 6.712 ( 1.126 0.000 -2.753) 2.974 7.000 ( 2.906 0.000 2.267) 3.686 7.058 ( -1.346 -0.000 0.001) 1.346 7.279 ( -4.866 -0.000 2.633) 5.532 7.400 ( -7.490 -0.000 -0.009) 7.490 7.451 ( -1.009 -0.000 0.263) 1.043 7.591 ( -1.971 -0.000 -4.387) 4.809 7.782 ( -0.992 -0.000 -0.940) 1.366 7.813 ( -0.931 -0.000 2.327) 2.506 7.913 ( 3.329 0.000 3.055) 4.518 8.202 ( 2.198 0.000 -8.295) 8.582 8.506 ( -4.253 -0.000 1.497) 4.509 8.660 ( -3.473 -0.000 -1.846) 3.933 8.712 ( 1.914 0.000 17.599) 17.703 9.577 ( 0.315 0.000 -5.271) 5.280 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -3.659 0.050 -0.204) 3.665 1.718 ( -7.103 -0.038 -0.786) 7.146 1.894 ( -6.876 1.327 6.271) 9.401 2.104 ( -8.157 -1.814 5.276) 9.882 2.136 ( -7.446 -2.696 7.424) 10.855 2.180 ( -4.532 -1.953 -0.993) 5.034 2.652 ( 0.691 0.331 -4.500) 4.565 2.887 ( 4.132 0.653 4.674) 6.273 3.008 ( -4.579 -0.429 -1.668) 4.892 3.100 ( 1.545 1.037 -0.447) 1.914 3.213 ( -7.239 -0.076 -3.085) 7.869 3.218 ( -3.852 -0.011 -0.786) 3.931 3.317 ( 2.145 0.159 2.185) 3.066 3.343 ( -3.436 0.065 2.220) 4.092 3.513 ( -2.974 1.209 1.826) 3.693 3.600 ( -7.020 0.127 1.248) 7.131 3.722 ( -16.153 1.363 -1.502) 16.280 4.064 ( 0.620 -0.032 -9.808) 9.828 6.239 ( -3.739 -0.273 0.727) 3.819 6.309 ( 0.220 -0.699 -0.873) 1.140 6.617 ( 0.872 -0.182 -0.375) 0.966 6.713 ( -1.165 -0.031 -2.161) 2.455 6.977 ( -7.160 0.595 0.944) 7.246 7.032 ( -1.961 -1.550 0.327) 2.521 7.186 ( -4.241 -0.127 3.370) 5.419 7.208 ( -9.331 -0.090 3.003) 9.803 7.442 ( -0.103 1.007 -2.004) 2.245 7.569 ( -0.289 -0.694 -6.651) 6.694 7.763 ( -0.808 0.882 0.201) 1.213 7.806 ( -0.411 -2.200 2.413) 3.291 8.006 ( 5.802 -0.032 2.838) 6.459 8.206 ( -2.819 0.518 -4.343) 5.204 8.446 ( -0.362 -0.203 -0.494) 0.645 8.586 ( -3.663 0.152 -2.162) 4.256 8.767 ( 3.624 -0.211 16.239) 16.640 9.590 ( 1.012 -0.026 -4.844) 4.949 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -10.820 -0.314 0.125) 10.825 1.570 ( -5.908 2.998 -2.103) 6.951 1.762 ( -3.484 8.790 7.028) 11.781 1.914 ( -10.119 -0.396 13.354) 16.759 2.086 ( -4.202 -10.940 0.348) 11.724 2.131 ( -1.743 -6.710 0.441) 6.947 2.597 ( -4.983 -0.116 -2.692) 5.665 2.807 ( -14.055 -0.564 2.700) 14.323 3.012 ( -5.836 3.707 -1.679) 7.115 3.030 ( 4.592 1.323 -0.328) 4.790 3.081 ( -9.701 0.648 -1.427) 9.827 3.161 ( -0.415 -0.181 -3.858) 3.884 3.304 ( -7.142 2.570 0.089) 7.591 3.319 ( -1.355 1.674 0.287) 2.173 3.334 ( -11.571 -1.253 0.776) 11.665 3.392 ( -8.667 -0.926 1.419) 8.831 3.547 ( 0.255 0.895 3.167) 3.301 4.125 ( 4.916 1.186 -9.521) 10.781 6.188 ( -1.725 -0.137 1.707) 2.430 6.338 ( 1.492 -0.814 -2.204) 2.783 6.535 ( -10.614 -0.364 1.247) 10.694 6.656 ( -6.180 -0.603 -2.228) 6.597 6.771 ( -12.265 -2.106 2.276) 12.651 6.951 ( -3.305 -1.241 -3.413) 4.911 7.107 ( -3.802 -0.516 3.776) 5.383 7.129 ( -1.022 -1.055 4.688) 4.912 7.433 ( -0.702 0.415 -1.898) 2.066 7.591 ( 2.010 0.547 -6.435) 6.763 7.734 ( -1.577 1.941 0.338) 2.523 7.811 ( -1.372 -3.734 -0.443) 4.003 8.105 ( -0.246 1.443 3.235) 3.551 8.139 ( 2.985 -1.148 2.030) 3.788 8.497 ( 4.375 -0.045 -4.034) 5.951 8.527 ( -2.111 0.389 -2.797) 3.526 8.854 ( 4.961 -0.341 15.280) 16.069 9.619 ( 1.990 -0.131 -3.993) 4.463 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -11.504 -0.425 4.643) 12.413 1.415 ( -4.190 13.404 -0.825) 14.068 1.661 ( -2.451 8.210 7.218) 11.203 1.756 ( -5.663 -1.980 8.567) 10.459 2.058 ( -3.152 -5.826 -1.417) 6.773 2.181 ( -0.591 -11.197 2.943) 11.592 2.449 ( -11.087 0.813 0.582) 11.132 2.519 ( -14.809 -2.819 4.020) 15.602 2.766 ( -14.687 9.317 0.011) 17.393 2.861 ( -9.409 0.579 -1.738) 9.585 2.946 ( -10.212 4.336 -3.354) 11.591 3.136 ( -10.972 -5.667 0.021) 12.350 3.161 ( 0.787 0.261 -4.789) 4.860 3.193 ( 2.141 -0.103 -1.725) 2.751 3.324 ( -0.266 -0.808 -1.938) 2.116 3.352 ( 0.878 -0.035 -0.447) 0.985 3.606 ( 4.808 -0.279 7.184) 8.649 4.213 ( 4.915 3.253 -9.082) 10.827 6.141 ( -6.164 0.675 0.090) 6.201 6.190 ( -15.925 -0.142 -1.050) 15.960 6.395 ( -9.887 -2.271 2.939) 10.561 6.455 ( -2.703 -3.137 -0.298) 4.151 6.634 ( -5.078 -1.436 2.863) 6.004 6.952 ( 0.958 -2.395 -4.779) 5.431 7.046 ( -2.588 -1.543 2.734) 4.068 7.136 ( 0.447 -2.184 2.721) 3.518 7.409 ( -1.153 0.623 -0.236) 1.331 7.602 ( -1.315 1.318 -3.134) 3.645 7.659 ( -4.610 2.646 0.407) 5.331 7.808 ( 0.194 -3.085 -3.900) 4.976 8.124 ( 3.886 -0.605 4.064) 5.655 8.241 ( 4.706 0.003 2.038) 5.128 8.493 ( -1.000 1.361 -3.574) 3.953 8.588 ( 4.478 -0.073 -4.865) 6.613 8.959 ( 5.349 -0.691 15.421) 16.337 9.666 ( 2.507 -0.339 -2.840) 3.803 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -8.079 1.477 13.080) 15.445 1.301 ( 3.011 18.361 0.114) 18.606 1.552 ( -4.831 5.447 5.932) 9.391 1.729 ( 1.215 -1.319 0.791) 1.960 1.996 ( -7.204 0.497 -0.362) 7.230 2.154 ( -5.764 3.169 5.216) 8.395 2.226 ( -7.295 0.832 1.310) 7.458 2.289 ( -9.503 -2.009 5.407) 11.117 2.427 ( -11.018 5.165 0.713) 12.190 2.760 ( -2.668 -2.238 -1.354) 3.736 2.800 ( -3.638 -1.609 -0.875) 4.073 2.981 ( -8.253 -8.164 0.008) 11.609 3.171 ( 0.234 -0.843 -6.400) 6.460 3.242 ( 2.266 0.535 -7.092) 7.464 3.331 ( 0.272 -1.450 -1.981) 2.470 3.376 ( 1.267 0.373 -0.488) 1.408 3.715 ( 5.019 -2.882 6.943) 9.039 4.266 ( 2.887 5.365 -8.473) 10.436 5.869 ( -12.430 1.115 0.009) 12.479 5.906 ( -16.326 -1.608 -2.452) 16.587 6.309 ( 0.057 -2.616 10.273) 10.601 6.491 ( 1.511 -1.200 -0.476) 1.988 6.547 ( -4.435 -1.340 2.141) 5.104 6.985 ( 0.802 -2.479 -4.604) 5.290 7.025 ( -1.029 -2.855 0.836) 3.148 7.171 ( 1.141 -4.625 0.441) 4.784 7.393 ( -0.057 0.564 0.748) 0.939 7.514 ( -5.237 0.023 -1.613) 5.479 7.582 ( -1.208 5.936 1.703) 6.292 7.846 ( 1.218 -2.838 -5.879) 6.641 8.215 ( 3.896 -0.790 2.438) 4.663 8.308 ( 2.265 0.554 1.465) 2.754 8.465 ( -0.748 2.521 -3.565) 4.429 8.662 ( 2.721 -0.398 -4.757) 5.495 9.060 ( 3.973 -1.590 16.366) 16.916 9.714 ( 1.845 -0.635 -1.743) 2.616 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 5.744 17.742) 18.649 1.293 ( 0.000 19.091 6.572) 20.190 1.417 ( 0.000 4.248 -6.878) 8.084 1.755 ( 0.000 9.425 9.976) 13.724 1.840 ( 0.000 3.973 -7.490) 8.479 2.040 ( 0.000 6.338 6.946) 9.403 2.152 ( -0.000 -0.145 4.079) 4.082 2.207 ( -0.000 -2.236 6.144) 6.538 2.338 ( -0.000 -3.753 -1.495) 4.040 2.738 ( -0.000 -2.651 0.699) 2.741 2.801 ( -0.000 -2.694 -0.751) 2.797 2.945 ( -0.000 -10.405 -0.828) 10.438 3.180 ( -0.000 -1.025 -6.714) 6.792 3.261 ( 0.000 1.744 -6.835) 7.054 3.343 ( -0.000 -1.180 -2.458) 2.727 3.389 ( -0.000 -0.434 -0.596) 0.737 3.803 ( -0.000 -5.622 3.484) 6.614 4.259 ( 0.000 6.758 -7.879) 10.381 5.715 ( 0.000 0.459 0.328) 0.564 5.732 ( 0.000 1.528 -0.076) 1.530 6.337 ( -0.000 -2.685 13.954) 14.210 6.501 ( -0.000 -1.160 0.030) 1.160 6.512 ( -0.000 -1.100 -0.231) 1.124 7.007 ( -0.000 -1.882 -2.352) 3.012 7.033 ( -0.000 -3.150 -1.861) 3.659 7.224 ( -0.000 -8.008 -1.022) 8.073 7.393 ( 0.000 0.289 0.580) 0.648 7.455 ( 0.000 0.279 -0.860) 0.904 7.530 ( 0.000 6.991 1.276) 7.107 7.874 ( -0.000 -2.129 -7.224) 7.531 8.259 ( -0.000 -0.344 2.502) 2.526 8.324 ( 0.000 1.144 0.293) 1.181 8.439 ( 0.000 3.286 -2.943) 4.411 8.694 ( -0.000 -0.914 -4.267) 4.364 9.116 ( -0.000 -3.117 17.575) 17.849 9.737 ( -0.000 -0.868 -1.222) 1.499 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -11.013 -0.000 0.309) 11.017 1.589 ( -3.694 -0.000 -3.472) 5.070 1.850 ( 0.740 0.000 8.393) 8.425 1.906 ( -10.470 -0.000 12.407) 16.234 1.982 ( -7.035 -0.000 4.152) 8.169 2.100 ( -2.875 -0.000 -2.440) 3.771 2.596 ( -5.044 -0.000 -2.679) 5.712 2.803 ( -14.950 -0.000 2.372) 15.137 3.036 ( -6.811 -0.000 -1.963) 7.089 3.037 ( 7.859 0.000 -0.071) 7.859 3.085 ( -10.176 -0.000 -1.464) 10.281 3.161 ( -0.095 -0.000 -3.682) 3.683 3.315 ( -0.816 -0.000 0.751) 1.109 3.324 ( -14.403 -0.000 0.857) 14.429 3.335 ( -1.918 -0.000 -0.140) 1.923 3.385 ( -13.194 -0.000 0.129) 13.195 3.552 ( -0.043 -0.000 3.911) 3.911 4.132 ( 5.270 0.000 -9.472) 10.839 6.187 ( -1.579 -0.000 1.742) 2.351 6.333 ( 1.789 0.000 -2.078) 2.742 6.533 ( -10.622 -0.000 1.146) 10.683 6.653 ( -6.813 -0.000 -2.302) 7.191 6.759 ( -12.322 -0.000 2.375) 12.549 6.943 ( -3.457 -0.000 -3.635) 5.016 7.103 ( -4.199 -0.000 3.699) 5.596 7.123 ( -0.875 -0.000 5.116) 5.190 7.435 ( -0.812 -0.000 -1.718) 1.900 7.594 ( 2.231 0.000 -6.906) 7.258 7.757 ( -0.225 -0.000 -0.963) 0.989 7.778 ( -2.275 -0.000 1.597) 2.780 8.118 ( -3.849 -0.000 2.461) 4.569 8.128 ( 6.318 0.000 2.598) 6.832 8.497 ( 4.460 0.000 -4.092) 6.053 8.529 ( -2.043 -0.000 -2.779) 3.450 8.852 ( 4.948 0.000 15.186) 15.971 9.619 ( 1.961 0.000 -4.004) 4.458 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -11.816 -0.630 4.242) 12.571 1.538 ( -0.275 6.451 -5.645) 8.577 1.726 ( -7.212 -2.026 12.069) 14.205 1.790 ( -3.291 12.603 8.664) 15.644 1.961 ( 0.033 -11.590 3.973) 12.252 2.083 ( 0.466 -3.994 -2.308) 4.636 2.458 ( -10.006 0.739 0.462) 10.044 2.492 ( -15.595 -1.634 3.780) 16.129 2.839 ( -11.668 2.673 -2.144) 12.161 2.870 ( -10.164 1.178 -0.787) 10.262 3.009 ( -12.590 5.704 -1.893) 13.951 3.073 ( -13.196 -5.249 -0.155) 14.202 3.163 ( -0.345 0.266 -4.466) 4.487 3.186 ( 2.594 -0.936 -3.938) 4.807 3.312 ( -0.871 -0.809 -1.670) 2.050 3.355 ( 1.720 0.253 -0.111) 1.742 3.603 ( 4.023 -0.224 8.302) 9.228 4.238 ( 5.434 1.147 -9.174) 10.724 6.147 ( -5.311 0.321 -0.124) 5.323 6.188 ( -16.838 -0.067 -0.776) 16.856 6.377 ( -14.142 -0.838 3.308) 14.548 6.431 ( 1.726 -1.086 0.116) 2.043 6.623 ( -4.839 -0.441 2.177) 5.324 6.930 ( 0.533 -1.082 -5.533) 5.663 7.035 ( -2.717 -0.452 3.200) 4.222 7.120 ( 0.164 -0.671 3.289) 3.361 7.413 ( -1.180 0.188 0.225) 1.216 7.609 ( -2.235 0.184 -4.623) 5.138 7.697 ( -2.935 3.155 0.995) 4.422 7.770 ( 0.308 -2.982 -2.270) 3.760 8.119 ( 3.524 -0.212 3.180) 4.751 8.241 ( 4.913 -0.022 2.482) 5.504 8.503 ( -0.739 0.416 -3.232) 3.341 8.588 ( 4.463 -0.009 -5.279) 6.912 8.954 ( 5.250 -0.223 15.006) 15.899 9.663 ( 2.439 -0.121 -2.851) 3.754 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -7.846 -1.248 10.872) 13.465 1.482 ( 1.202 12.931 0.145) 12.987 1.645 ( -4.792 9.110 10.488) 14.696 1.692 ( 0.950 -5.168 1.690) 5.519 1.985 ( -3.228 -1.318 -3.108) 4.671 2.146 ( 1.685 -3.492 3.594) 5.286 2.233 ( -6.985 0.228 2.810) 7.532 2.266 ( -9.030 -1.554 1.995) 9.378 2.537 ( -14.735 11.280 2.845) 18.774 2.736 ( -2.542 -2.117 -1.759) 3.747 2.792 ( -6.466 0.199 -0.605) 6.498 2.893 ( -8.895 -6.646 0.119) 11.104 3.162 ( -0.021 -0.634 -6.314) 6.345 3.228 ( 0.765 -2.542 -11.400) 11.705 3.320 ( 0.837 -0.371 0.507) 1.047 3.382 ( 1.199 0.527 -0.459) 1.388 3.687 ( 3.613 -1.753 9.415) 10.236 4.314 ( 3.251 2.902 -8.893) 9.903 5.880 ( -12.281 0.687 -0.145) 12.301 5.893 ( -15.539 -0.715 -1.472) 15.625 6.287 ( 0.732 -1.209 9.331) 9.437 6.480 ( 1.760 -0.701 -0.395) 1.935 6.535 ( -4.275 -0.714 1.586) 4.616 6.951 ( 0.348 -2.781 -6.870) 7.420 7.004 ( -0.940 -0.936 2.754) 3.057 7.135 ( 0.606 -1.816 1.597) 2.493 7.397 ( -0.243 0.251 0.915) 0.980 7.514 ( -5.107 0.008 -1.584) 5.347 7.652 ( -0.204 5.741 1.237) 5.877 7.806 ( 0.948 -3.886 -3.542) 5.343 8.206 ( 3.908 -0.670 1.017) 4.093 8.312 ( 2.375 0.176 2.405) 3.385 8.486 ( -0.530 1.248 -3.167) 3.445 8.659 ( 2.621 -0.094 -5.545) 6.134 9.048 ( 3.738 -0.634 15.355) 15.816 9.708 ( 1.758 -0.349 -1.787) 2.531 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.000 -0.317 15.389) 15.392 1.477 ( 0.000 6.708 2.305) 7.093 1.489 ( 0.000 14.331 4.699) 15.082 1.771 ( -0.000 -4.233 2.854) 5.105 1.881 ( 0.000 2.936 -4.939) 5.745 2.152 ( 0.000 0.196 2.493) 2.500 2.184 ( 0.000 3.464 -0.604) 3.517 2.214 ( 0.000 14.386 13.157) 19.495 2.286 ( -0.000 -4.970 -1.120) 5.094 2.715 ( -0.000 -1.182 0.493) 1.281 2.771 ( -0.000 -2.518 -0.732) 2.622 2.829 ( -0.000 -9.491 -0.798) 9.524 3.167 ( -0.000 -1.027 -6.796) 6.873 3.255 ( -0.000 -3.087 -12.705) 13.075 3.331 ( -0.000 -0.326 0.576) 0.662 3.392 ( 0.000 0.508 -0.590) 0.779 3.745 ( -0.000 -4.039 8.277) 9.210 4.325 ( 0.000 4.511 -8.550) 9.667 5.719 ( 0.000 0.357 0.440) 0.566 5.748 ( 0.000 1.124 -0.211) 1.143 6.313 ( -0.000 -1.507 11.848) 11.944 6.489 ( -0.000 -0.860 0.046) 0.862 6.501 ( -0.000 -0.806 -0.233) 0.839 6.975 ( -0.000 -3.798 -7.306) 8.234 7.003 ( -0.000 -1.455 2.458) 2.857 7.159 ( -0.000 -3.566 0.858) 3.668 7.396 ( 0.000 0.215 0.582) 0.620 7.458 ( 0.000 0.185 -0.852) 0.872 7.611 ( 0.000 6.993 1.345) 7.122 7.839 ( -0.000 -3.739 -4.518) 5.865 8.251 ( -0.000 -0.806 0.698) 1.067 8.333 ( 0.000 0.417 1.957) 2.001 8.471 ( 0.000 2.073 -2.963) 3.617 8.687 ( -0.000 -0.308 -5.222) 5.231 9.092 ( -0.000 -1.275 15.916) 15.967 9.729 ( -0.000 -0.587 -1.317) 1.442 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -7.949 -0.000 10.436) 13.118 1.603 ( -3.404 -0.000 15.529) 15.897 1.611 ( 4.497 0.000 -9.359) 10.383 1.713 ( -6.552 -0.000 7.192) 9.729 1.975 ( -0.670 -0.000 -2.346) 2.440 2.117 ( 4.513 0.000 1.982) 4.929 2.234 ( -6.970 -0.000 3.757) 7.917 2.257 ( -9.334 -0.000 0.972) 9.385 2.623 ( -14.597 -0.000 3.816) 15.088 2.714 ( -2.476 -0.000 -2.468) 3.496 2.796 ( -8.540 -0.000 -0.327) 8.546 2.847 ( -8.122 -0.000 -0.338) 8.129 3.158 ( -0.095 -0.000 -6.254) 6.255 3.208 ( -0.037 -0.000 -12.308) 12.308 3.319 ( 1.155 0.000 0.999) 1.528 3.385 ( 1.147 0.000 -0.431) 1.225 3.677 ( 3.221 0.000 10.141) 10.640 4.331 ( 3.378 0.000 -9.049) 9.659 5.884 ( -12.230 -0.000 -0.187) 12.231 5.889 ( -15.254 -0.000 -1.187) 15.300 6.280 ( 0.927 0.000 8.955) 9.003 6.476 ( 1.853 0.000 -0.369) 1.889 6.531 ( -4.238 -0.000 1.418) 4.469 6.934 ( 0.098 0.000 -7.036) 7.037 6.999 ( -0.882 -0.000 2.983) 3.111 7.125 ( 0.501 0.000 1.804) 1.872 7.399 ( -0.289 -0.000 0.951) 0.994 7.514 ( -5.052 -0.000 -1.577) 5.293 7.696 ( 0.305 0.000 1.044) 1.088 7.773 ( 0.658 0.000 -2.602) 2.684 8.202 ( 3.881 0.000 0.465) 3.909 8.313 ( 2.405 0.000 2.723) 3.633 8.494 ( -0.440 -0.000 -2.951) 2.984 8.659 ( 2.602 0.000 -5.870) 6.420 9.044 ( 3.693 0.000 15.030) 15.477 9.706 ( 1.729 0.000 -1.802) 2.497 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.000 -1.015 14.129) 14.166 1.562 ( 0.000 6.576 14.042) 15.505 1.609 ( 0.000 5.735 3.693) 6.821 1.704 ( -0.000 -5.822 -5.581) 8.065 1.904 ( 0.000 1.096 -3.249) 3.429 2.158 ( 0.000 0.711 1.154) 1.356 2.187 ( 0.000 0.087 2.396) 2.397 2.234 ( -0.000 -3.241 -0.537) 3.285 2.392 ( 0.000 10.684 8.660) 13.753 2.710 ( 0.000 0.013 0.171) 0.171 2.734 ( -0.000 -5.975 -1.701) 6.212 2.747 ( -0.000 -1.303 -0.611) 1.439 3.159 ( -0.000 -0.382 -6.858) 6.869 3.214 ( -0.000 -2.673 -13.795) 14.051 3.331 ( 0.000 0.118 1.082) 1.088 3.396 ( 0.000 0.217 -0.545) 0.586 3.715 ( -0.000 -1.275 10.324) 10.402 4.361 ( 0.000 1.585 -8.940) 9.080 5.722 ( 0.000 0.136 0.503) 0.521 5.757 ( 0.000 0.414 -0.288) 0.504 6.302 ( -0.000 -0.497 10.694) 10.706 6.482 ( -0.000 -0.319 0.056) 0.324 6.494 ( -0.000 -0.296 -0.234) 0.378 6.939 ( -0.000 -1.792 -7.643) 7.850 6.993 ( -0.000 -0.369 2.916) 2.939 7.134 ( -0.000 -0.949 1.358) 1.656 7.397 ( 0.000 0.080 0.581) 0.586 7.460 ( 0.000 0.064 -0.847) 0.849 7.684 ( 0.000 4.808 1.295) 4.979 7.793 ( -0.000 -3.652 -2.796) 4.599 8.244 ( -0.000 -0.396 -0.391) 0.556 8.336 ( 0.000 0.101 2.760) 2.762 8.487 ( 0.000 0.703 -2.664) 2.755 8.685 ( -0.000 -0.050 -5.914) 5.915 9.084 ( -0.000 -0.339 15.125) 15.129 9.724 ( -0.000 -0.206 -1.364) 1.379 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 0.000 19.638) 19.638 0.968 ( 0.000 0.000 22.150) 22.150 1.101 ( 0.000 0.000 -16.461) 16.461 1.377 ( 0.000 0.000 -18.621) 18.621 1.755 ( 0.000 0.000 24.843) 24.843 2.122 ( 0.000 0.000 -11.799) 11.799 2.280 ( 0.000 0.000 5.021) 5.021 2.360 ( 0.000 0.000 -3.054) 3.054 2.625 ( 0.000 0.000 16.862) 16.862 2.851 ( 0.000 0.000 0.571) 0.571 2.864 ( 0.000 0.000 -0.640) 0.640 2.992 ( 0.000 0.000 -17.548) 17.548 3.138 ( 0.000 0.000 5.221) 5.221 3.213 ( 0.000 0.000 -2.325) 2.325 3.468 ( 0.000 0.000 1.580) 1.580 3.519 ( 0.000 0.000 -3.295) 3.295 3.712 ( 0.000 0.000 3.938) 3.938 3.818 ( 0.000 0.000 -6.802) 6.802 5.691 ( 0.000 0.000 0.455) 0.455 5.699 ( 0.000 0.000 -0.243) 0.243 6.539 ( 0.000 0.000 0.102) 0.102 6.543 ( 0.000 0.000 -0.256) 0.256 6.743 ( 0.000 0.000 1.766) 1.766 6.801 ( 0.000 0.000 -4.042) 4.042 7.320 ( 0.000 0.000 9.777) 9.777 7.400 ( 0.000 0.000 1.034) 1.034 7.402 ( 0.000 0.000 8.946) 8.946 7.423 ( 0.000 0.000 -1.228) 1.228 7.538 ( 0.000 0.000 -10.396) 10.396 7.600 ( 0.000 0.000 -9.353) 9.353 8.189 ( 0.000 0.000 2.832) 2.832 8.228 ( 0.000 0.000 -0.972) 0.972 8.479 ( 0.000 0.000 8.195) 8.195 8.635 ( 0.000 0.000 -7.051) 7.051 9.667 ( 0.000 0.000 3.030) 3.030 9.723 ( 0.000 0.000 -2.446) 2.446 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 15.233 -0.934 13.898) 20.641 1.051 ( 8.761 -3.095 8.253) 12.428 1.304 ( 15.861 -2.015 -6.650) 17.316 1.462 ( 7.070 -1.660 -13.779) 15.576 1.894 ( 13.589 -2.384 21.930) 25.908 2.169 ( 5.648 -0.069 -5.494) 7.880 2.380 ( 7.232 2.106 0.565) 7.554 2.401 ( 5.869 -1.177 -1.114) 6.088 2.643 ( 2.805 1.224 14.420) 14.741 2.878 ( 1.690 1.019 -0.949) 2.190 2.882 ( 2.723 0.728 0.002) 2.819 2.996 ( 1.123 1.909 -15.601) 15.758 3.131 ( -0.789 -1.705 4.843) 5.195 3.209 ( -0.087 0.274 -2.530) 2.546 3.428 ( -2.953 2.539 1.324) 4.113 3.470 ( -3.194 4.167 -2.488) 5.809 3.670 ( -4.554 -4.604 5.785) 8.683 3.806 ( -1.899 -2.997 -8.030) 8.779 5.852 ( 14.749 -0.029 1.611) 14.837 5.899 ( 15.948 0.292 -3.430) 16.315 6.507 ( -1.223 0.448 -0.451) 1.378 6.513 ( -2.028 -0.002 -0.940) 2.236 6.837 ( 7.960 2.475 0.492) 8.350 6.876 ( 6.098 -2.950 -3.483) 7.617 7.236 ( -4.578 3.297 7.395) 9.301 7.331 ( -4.642 0.127 1.370) 4.842 7.394 ( -2.230 -0.106 3.347) 4.024 7.487 ( 2.836 0.428 -2.569) 3.850 7.582 ( 4.908 3.763 -3.840) 7.280 7.625 ( 2.434 -3.333 -7.137) 8.244 8.192 ( 0.001 -1.328 2.246) 2.609 8.225 ( -0.434 -0.852 -0.787) 1.238 8.455 ( -2.355 0.015 7.492) 7.854 8.598 ( -3.438 0.243 -6.528) 7.382 9.555 ( -8.879 1.859 8.509) 12.438 9.679 ( -4.046 0.341 -4.352) 5.952 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 18.598 1.977 7.085) 20.000 1.300 ( 13.395 -2.396 2.619) 13.857 1.616 ( 9.617 0.001 -2.940) 10.056 1.640 ( 14.352 -1.684 -5.796) 15.570 2.275 ( 19.022 -5.158 8.298) 21.385 2.344 ( 10.752 -1.752 -0.995) 10.939 2.461 ( 7.271 1.753 12.874) 14.889 2.636 ( 14.135 0.607 -4.766) 14.929 2.725 ( 5.547 1.660 8.042) 9.909 2.899 ( 1.525 2.885 -1.225) 3.485 2.931 ( 3.082 2.059 -0.500) 3.740 3.023 ( 3.152 2.466 -11.028) 11.732 3.147 ( 1.413 -2.701 3.537) 4.670 3.220 ( 1.176 -0.598 -2.615) 2.929 3.345 ( -3.681 1.215 0.722) 3.943 3.375 ( -4.152 1.290 -2.211) 4.878 3.606 ( -4.331 -3.524 7.663) 9.481 3.786 ( -1.831 -3.234 -10.490) 11.128 6.151 ( 8.751 0.383 0.991) 8.815 6.170 ( 14.000 0.020 -0.701) 14.018 6.496 ( 2.092 0.492 1.071) 2.401 6.547 ( 5.765 1.010 -3.559) 6.850 6.971 ( 6.959 3.096 1.561) 7.775 7.020 ( 5.774 1.802 -2.891) 6.704 7.158 ( -0.247 1.330 3.658) 3.900 7.240 ( -3.358 1.164 -2.065) 4.111 7.334 ( -3.951 -1.129 4.617) 6.181 7.477 ( -3.182 -0.930 -8.103) 8.755 7.687 ( 6.729 1.693 0.770) 6.981 7.723 ( 5.598 -0.567 -3.150) 6.449 8.205 ( 0.414 -1.008 1.358) 1.741 8.224 ( -0.396 -0.894 0.182) 0.995 8.403 ( -2.285 -0.317 5.025) 5.529 8.513 ( -4.720 0.182 -5.305) 7.104 9.370 ( -8.230 1.352 14.004) 16.300 9.584 ( -4.932 0.447 -7.612) 9.081 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 10.210 -1.200 2.544) 10.591 1.564 ( 11.385 1.120 -1.118) 11.495 1.801 ( 12.663 2.539 6.180) 14.317 1.936 ( 14.765 1.360 -5.991) 15.992 2.453 ( 4.317 0.413 7.603) 8.753 2.552 ( 8.252 -0.717 -2.604) 8.682 2.741 ( 4.800 6.884 2.961) 8.899 2.790 ( 5.378 -0.126 2.001) 5.740 2.861 ( 9.700 -0.206 4.899) 10.869 2.972 ( 7.988 0.674 4.666) 9.275 3.005 ( 5.485 -1.055 -3.580) 6.635 3.097 ( 6.230 1.921 -7.404) 9.866 3.208 ( 3.273 -0.772 1.617) 3.732 3.241 ( 1.272 -0.616 -1.248) 1.885 3.316 ( 1.563 -4.032 0.848) 4.406 3.345 ( 0.866 -5.343 -1.880) 5.730 3.548 ( -2.243 -0.805 9.134) 9.440 3.777 ( -0.180 -1.511 -13.369) 13.455 6.244 ( 2.955 0.237 2.950) 4.182 6.318 ( 2.446 0.529 -4.341) 5.011 6.621 ( 7.859 0.885 2.536) 8.305 6.666 ( 4.934 0.911 -1.856) 5.350 7.036 ( 2.856 5.408 2.190) 6.496 7.061 ( 2.811 3.748 0.283) 4.693 7.201 ( 2.178 0.004 2.339) 3.196 7.243 ( 1.968 0.377 0.131) 2.008 7.290 ( 0.411 -3.316 -0.216) 3.349 7.410 ( -2.868 -1.634 -7.886) 8.549 7.793 ( 4.704 1.894 0.920) 5.154 7.833 ( 5.259 0.255 -2.963) 6.042 8.187 ( -3.616 0.662 2.831) 4.640 8.204 ( -1.654 0.668 0.718) 1.923 8.410 ( 2.805 -1.360 0.111) 3.119 8.442 ( -1.407 -0.406 -2.762) 3.126 9.229 ( -5.653 0.743 16.256) 17.227 9.495 ( -3.772 0.357 -10.024) 10.716 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 4.341 -0.551 1.340) 4.576 1.699 ( 3.980 -0.198 -1.330) 4.201 2.066 ( 14.259 3.400 5.641) 15.707 2.185 ( 11.268 2.385 -5.265) 12.664 2.533 ( 4.065 4.368 8.877) 10.696 2.609 ( -1.158 8.993 -1.120) 9.136 2.707 ( -0.861 4.101 4.346) 6.037 2.816 ( 2.185 -3.071 -3.044) 4.845 2.968 ( 1.638 0.475 1.180) 2.074 3.012 ( -0.669 -2.440 -2.278) 3.405 3.166 ( 3.449 -1.525 1.116) 3.933 3.200 ( 4.199 -0.447 -2.270) 4.794 3.286 ( 1.740 -3.485 1.451) 4.157 3.305 ( 2.255 -2.048 -0.311) 3.062 3.423 ( 3.188 -2.103 3.939) 5.487 3.479 ( 8.138 -4.512 -1.415) 9.412 3.617 ( 11.829 -1.405 6.457) 13.550 3.824 ( 5.686 -0.124 -13.260) 14.428 6.301 ( 3.561 0.838 1.726) 4.045 6.347 ( 1.901 1.195 -2.839) 3.620 6.675 ( -1.194 1.367 0.986) 2.066 6.696 ( -0.843 0.898 -1.173) 1.701 7.058 ( -0.298 2.084 2.357) 3.161 7.104 ( 2.735 1.779 -1.482) 3.583 7.231 ( 2.535 -0.723 2.268) 3.477 7.285 ( -0.905 -2.144 -2.895) 3.715 7.332 ( 6.270 0.118 5.607) 8.412 7.461 ( 5.579 -0.067 -6.697) 8.717 7.846 ( 1.926 1.557 1.933) 3.142 7.912 ( 3.223 1.654 -4.527) 5.798 8.090 ( -5.083 1.110 2.552) 5.795 8.124 ( -5.435 0.938 -0.755) 5.566 8.474 ( 3.948 -0.186 0.991) 4.075 8.506 ( 5.164 -1.095 -1.974) 5.636 9.138 ( -3.361 0.376 17.559) 17.881 9.435 ( -2.146 0.246 -11.536) 11.737 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 1.365 -0.464 1.131) 1.832 1.749 ( 1.269 -0.776 -1.118) 1.861 2.269 ( 7.649 2.051 2.966) 8.456 2.331 ( 4.764 1.534 -2.768) 5.719 2.476 ( -5.090 8.707 0.982) 10.133 2.490 ( -3.265 7.399 0.188) 8.089 2.759 ( 6.000 -0.922 13.125) 14.461 2.899 ( 4.255 -0.414 -0.893) 4.368 3.015 ( 3.526 -0.093 -0.749) 3.606 3.041 ( 2.416 -1.856 -2.458) 3.915 3.191 ( -0.925 -2.471 1.578) 3.074 3.238 ( -1.405 -3.273 -2.355) 4.270 3.277 ( -2.539 0.443 1.923) 3.216 3.327 ( -0.632 -1.445 -1.435) 2.132 3.504 ( 3.873 -1.697 2.238) 4.785 3.596 ( 2.318 -2.464 -5.995) 6.883 3.877 ( 11.145 0.326 5.355) 12.369 4.010 ( 10.902 -1.396 -8.015) 13.604 6.375 ( 4.495 1.224 0.252) 4.665 6.388 ( 3.070 1.490 -1.083) 3.580 6.610 ( -3.827 1.122 1.445) 4.242 6.651 ( -2.940 0.360 -2.518) 3.888 7.013 ( -2.614 -0.127 3.673) 4.510 7.096 ( -2.459 0.483 -4.345) 5.016 7.293 ( 3.939 -1.408 3.735) 5.607 7.353 ( 4.666 -1.508 -1.704) 5.191 7.452 ( 5.364 0.547 4.508) 7.028 7.560 ( 4.231 0.656 -5.774) 7.189 7.853 ( -0.274 1.626 3.036) 3.455 7.930 ( -0.572 2.747 -3.461) 4.455 7.998 ( -3.323 1.422 0.885) 3.721 8.018 ( -4.009 -1.055 -1.896) 4.558 8.559 ( 4.080 0.055 2.113) 4.595 8.605 ( 4.199 -0.420 -2.256) 4.785 9.090 ( -1.583 0.130 18.435) 18.503 9.406 ( -0.884 0.130 -12.428) 12.461 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.182 -0.312 1.269) 1.319 1.767 ( 0.293 -0.470 -1.224) 1.344 2.326 ( -0.828 2.022 2.333) 3.197 2.360 ( -0.439 0.658 -0.776) 1.108 2.380 ( -0.035 2.146 1.494) 2.616 2.419 ( -0.249 2.247 -2.112) 3.093 2.873 ( 4.205 0.483 14.668) 15.266 2.964 ( 2.106 0.850 1.634) 2.798 3.080 ( 2.032 -0.835 0.951) 2.394 3.119 ( 4.358 -0.420 -1.820) 4.742 3.179 ( -0.790 0.882 1.280) 1.743 3.197 ( -2.439 -1.604 0.745) 3.012 3.220 ( -3.958 -2.120 -1.656) 4.786 3.315 ( -0.642 -0.124 -7.015) 7.045 3.568 ( 1.629 -0.889 0.257) 1.874 3.626 ( 0.335 -0.617 -6.411) 6.449 4.024 ( 3.975 0.355 7.732) 8.701 4.178 ( 4.515 -0.656 -7.624) 8.884 6.443 ( 2.957 0.891 0.210) 3.095 6.452 ( 3.497 0.938 -0.737) 3.694 6.532 ( -3.481 0.158 2.066) 4.051 6.592 ( -2.494 -0.232 -3.591) 4.378 6.977 ( -1.080 -0.299 3.398) 3.578 7.048 ( -1.510 0.174 -3.707) 4.006 7.369 ( 2.263 -0.827 4.638) 5.226 7.449 ( 3.713 -1.512 -2.203) 4.575 7.510 ( 0.702 0.828 3.269) 3.444 7.606 ( 0.911 0.684 -5.251) 5.373 7.826 ( -0.978 0.886 2.858) 3.148 7.881 ( -1.791 0.997 -1.685) 2.653 7.949 ( -0.864 0.322 1.513) 1.771 7.994 ( -0.252 -0.244 -3.975) 3.990 8.616 ( 1.577 0.055 2.293) 2.783 8.664 ( 1.562 -0.086 -2.254) 2.744 9.070 ( -0.433 0.017 18.848) 18.853 9.395 ( -0.206 0.036 -12.844) 12.845 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 19.448 0.000 5.065) 20.096 1.276 ( 13.450 0.000 4.973) 14.340 1.617 ( 8.815 0.000 -3.926) 9.650 1.629 ( 17.052 0.000 -5.657) 17.966 2.243 ( 19.788 0.000 10.145) 22.237 2.333 ( 10.437 0.000 -1.554) 10.552 2.472 ( 6.445 0.000 12.196) 13.794 2.639 ( 14.674 0.000 -4.693) 15.406 2.735 ( 5.552 0.000 7.434) 9.279 2.916 ( 1.866 0.000 -2.667) 3.255 2.945 ( 2.770 0.000 0.883) 2.907 3.042 ( 3.058 0.000 -12.080) 12.461 3.126 ( 1.655 0.000 5.632) 5.870 3.217 ( 1.111 0.000 -2.917) 3.122 3.353 ( -5.015 -0.000 0.693) 5.063 3.384 ( -6.450 -0.000 -2.475) 6.908 3.584 ( -2.861 -0.000 8.027) 8.521 3.767 ( -1.029 -0.000 -10.538) 10.588 6.153 ( 8.048 0.000 0.893) 8.097 6.170 ( 14.528 0.000 -0.483) 14.536 6.499 ( 2.168 0.000 1.094) 2.428 6.553 ( 5.791 0.000 -3.727) 6.886 6.988 ( 6.536 0.000 0.440) 6.551 7.032 ( 8.791 0.000 -4.360) 9.813 7.169 ( -2.035 -0.000 4.895) 5.301 7.243 ( -3.970 -0.000 1.021) 4.099 7.329 ( -4.248 -0.000 2.760) 5.066 7.470 ( -3.668 -0.000 -8.558) 9.311 7.700 ( 6.747 0.000 -0.191) 6.750 7.718 ( 5.848 0.000 -2.425) 6.330 8.198 ( 1.011 0.000 1.496) 1.805 8.219 ( -0.077 -0.000 0.082) 0.113 8.401 ( -2.523 -0.000 5.345) 5.911 8.514 ( -4.842 -0.000 -5.356) 7.220 9.378 ( -8.643 -0.000 13.741) 16.233 9.586 ( -5.008 -0.000 -7.407) 8.941 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 10.315 -0.496 3.227) 10.820 1.572 ( 10.594 0.351 -2.320) 10.851 1.826 ( 13.903 1.377 5.871) 15.154 1.949 ( 15.589 0.717 -5.261) 16.468 2.450 ( 4.611 -0.481 5.948) 7.541 2.539 ( 9.617 -0.926 -2.863) 10.077 2.786 ( 16.682 0.204 12.695) 20.964 2.809 ( 3.369 3.168 1.766) 4.950 2.867 ( 5.589 0.601 -2.069) 5.989 2.979 ( 3.029 0.525 5.378) 6.195 2.991 ( 4.951 -0.974 -3.883) 6.367 3.117 ( 5.054 1.091 -7.524) 9.129 3.209 ( 5.954 0.928 1.503) 6.211 3.248 ( 0.853 1.896 -1.687) 2.678 3.269 ( -2.153 -3.432 0.405) 4.071 3.286 ( -0.144 -4.369 -1.438) 4.602 3.543 ( -1.314 -0.198 8.824) 8.924 3.766 ( 0.881 -0.487 -13.199) 13.237 6.246 ( 3.125 0.087 2.996) 4.330 6.322 ( 2.650 0.188 -4.524) 5.246 6.628 ( 7.892 0.316 2.625) 8.323 6.673 ( 4.763 0.325 -1.755) 5.086 7.087 ( 1.885 2.706 2.047) 3.882 7.093 ( 2.484 1.477 1.875) 3.444 7.202 ( 0.277 0.161 2.609) 2.629 7.245 ( 3.656 -0.160 -3.149) 4.828 7.257 ( 0.082 -1.699 1.269) 2.123 7.395 ( -2.561 -0.833 -8.265) 8.692 7.811 ( 4.073 1.023 -0.138) 4.202 7.832 ( 5.974 -0.202 -2.184) 6.364 8.193 ( -3.213 0.306 2.669) 4.188 8.210 ( -0.835 0.340 0.520) 1.041 8.398 ( 2.764 -0.619 0.784) 2.939 8.439 ( -1.703 -0.183 -2.971) 3.430 9.235 ( -5.934 0.274 16.178) 17.234 9.497 ( -3.857 0.128 -9.871) 10.598 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 4.661 -0.370 1.497) 4.909 1.696 ( 3.580 -0.154 -1.506) 3.887 2.101 ( 13.508 2.310 5.059) 14.608 2.209 ( 10.980 1.586 -4.782) 12.081 2.554 ( 6.348 0.212 11.612) 13.236 2.689 ( 3.557 4.636 -1.534) 6.041 2.773 ( -2.157 3.116 0.832) 3.880 2.808 ( -2.148 4.697 -1.833) 5.480 2.967 ( 0.917 -2.356 -1.030) 2.730 2.978 ( -2.057 -1.806 -0.998) 2.913 3.133 ( 3.978 -3.746 2.734) 6.110 3.194 ( 2.222 -0.233 -2.393) 3.274 3.261 ( 2.395 -0.939 1.113) 2.803 3.283 ( 2.729 -1.664 -0.759) 3.285 3.406 ( 5.482 -0.964 2.887) 6.271 3.438 ( 9.589 -2.408 -0.313) 9.892 3.603 ( 11.407 -0.892 7.125) 13.480 3.823 ( 5.547 -0.096 -13.611) 14.699 6.308 ( 3.735 0.441 1.808) 4.173 6.357 ( 2.036 0.629 -3.105) 3.766 6.688 ( -1.117 0.825 0.913) 1.662 6.705 ( -0.964 0.538 -0.860) 1.399 7.079 ( -2.521 1.549 2.332) 3.768 7.121 ( 1.603 0.932 -0.475) 1.914 7.227 ( 2.999 0.221 0.804) 3.113 7.261 ( -0.799 -1.969 -2.612) 3.367 7.332 ( 6.673 -0.060 5.553) 8.682 7.459 ( 6.153 -0.151 -6.535) 8.977 7.860 ( 1.647 0.804 1.700) 2.500 7.926 ( 3.543 0.721 -4.880) 6.073 8.102 ( -5.078 0.852 2.574) 5.756 8.137 ( -5.595 1.028 -0.745) 5.737 8.471 ( 4.084 -0.215 0.613) 4.136 8.494 ( 5.598 -0.837 -1.497) 5.855 9.142 ( -3.544 0.196 17.606) 17.960 9.437 ( -2.221 0.136 -11.439) 11.653 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 1.397 -0.273 1.002) 1.740 1.742 ( 1.215 -0.518 -0.932) 1.616 2.288 ( 6.513 1.251 2.555) 7.107 2.344 ( 3.814 0.844 -2.677) 4.736 2.563 ( -5.895 6.178 2.221) 8.824 2.584 ( -6.648 8.362 -0.080) 10.683 2.747 ( 6.532 -1.066 12.699) 14.320 2.897 ( 6.428 0.060 -1.293) 6.557 3.004 ( 2.706 -2.269 -1.485) 3.830 3.015 ( 2.976 -2.158 -2.782) 4.611 3.164 ( -0.455 -2.064 1.578) 2.637 3.203 ( -1.795 -2.347 -1.354) 3.250 3.285 ( -1.292 0.815 0.779) 1.715 3.314 ( 0.042 -0.975 -1.035) 1.422 3.482 ( 3.506 -1.889 3.317) 5.183 3.576 ( 3.802 -0.925 -4.306) 5.818 3.884 ( 12.511 0.898 3.142) 12.931 3.991 ( 10.084 -1.797 -7.651) 12.785 6.387 ( 4.455 0.766 0.344) 4.534 6.402 ( 2.957 0.970 -1.319) 3.380 6.623 ( -4.170 0.966 1.159) 4.435 6.655 ( -3.328 0.339 -2.088) 3.943 7.013 ( -3.049 0.011 3.717) 4.808 7.100 ( -2.801 0.265 -4.769) 5.537 7.279 ( 3.959 -0.996 3.826) 5.595 7.338 ( 4.677 -1.044 -1.483) 5.016 7.458 ( 5.435 0.360 4.540) 7.091 7.565 ( 4.306 0.263 -5.677) 7.130 7.868 ( -0.341 0.953 2.991) 3.158 7.954 ( -0.968 1.271 -4.743) 5.005 8.010 ( -3.348 0.005 0.003) 3.348 8.018 ( -4.453 1.510 -0.038) 4.703 8.559 ( 4.117 -0.061 1.855) 4.516 8.600 ( 4.474 -0.428 -2.074) 4.950 9.091 ( -1.690 0.066 18.550) 18.627 9.407 ( -0.946 0.091 -12.374) 12.410 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.583 -0.004 1.091) 1.237 1.761 ( 0.624 -0.538 -1.003) 1.298 2.343 ( -0.661 0.818 1.427) 1.773 2.365 ( -0.789 0.310 -0.608) 1.043 2.414 ( -4.092 3.591 1.573) 5.667 2.447 ( -3.472 2.430 -1.552) 4.513 2.871 ( 3.393 -0.815 15.153) 15.550 2.971 ( 1.094 0.218 1.485) 1.857 3.065 ( 2.271 -2.040 -0.240) 3.062 3.111 ( 4.040 -0.354 -2.063) 4.550 3.176 ( 0.783 -0.700 0.355) 1.109 3.184 ( 0.307 -0.902 -0.293) 0.997 3.219 ( -3.206 1.484 0.579) 3.580 3.313 ( -0.389 -0.194 -6.275) 6.290 3.552 ( 2.089 -1.841 1.086) 2.989 3.623 ( 1.165 0.004 -5.851) 5.966 4.037 ( 4.161 1.840 5.566) 7.189 4.163 ( 4.811 -1.932 -6.737) 8.501 6.452 ( 2.339 0.795 0.165) 2.476 6.462 ( 2.929 0.634 -0.682) 3.073 6.534 ( -4.160 0.186 1.865) 4.562 6.590 ( -2.480 -0.111 -3.442) 4.243 6.974 ( -0.808 -0.141 3.526) 3.620 7.050 ( -1.662 0.108 -3.961) 4.296 7.361 ( 3.079 -0.615 4.512) 5.497 7.431 ( 3.926 -1.411 -1.277) 4.363 7.518 ( 0.820 0.611 2.715) 2.901 7.611 ( 0.403 0.266 -5.375) 5.397 7.837 ( -1.734 0.914 2.703) 3.339 7.888 ( -3.033 0.235 -1.588) 3.432 7.951 ( -1.296 0.107 1.580) 2.047 7.998 ( 0.285 0.895 -4.015) 4.123 8.616 ( 1.504 -0.041 2.202) 2.667 8.663 ( 1.666 -0.140 -2.245) 2.799 9.070 ( -0.463 -0.003 18.929) 18.934 9.396 ( -0.246 0.034 -12.825) 12.827 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.153 0.546 1.241) 1.364 1.772 ( 0.240 0.327 -1.211) 1.277 2.302 ( -1.289 -1.821 2.983) 3.725 2.350 ( -0.173 -1.088 -1.361) 1.751 2.362 ( -2.559 -1.005 1.309) 3.045 2.396 ( -2.420 -1.734 -1.923) 3.544 2.861 ( -4.136 -1.510 13.052) 13.774 2.954 ( -2.418 -0.746 0.697) 2.624 3.086 ( -2.592 -0.040 2.559) 3.643 3.115 ( -4.227 -0.806 0.296) 4.313 3.167 ( 4.012 -0.695 0.982) 4.188 3.223 ( 2.910 2.799 0.971) 4.153 3.252 ( 3.701 3.024 -2.065) 5.206 3.316 ( 1.189 0.153 -7.766) 7.858 3.572 ( -0.865 -0.118 0.560) 1.037 3.635 ( 0.511 0.705 -6.464) 6.523 4.029 ( -3.883 1.336 7.255) 8.336 4.177 ( -4.162 -0.761 -7.385) 8.511 6.433 ( -3.734 -0.797 0.186) 3.822 6.441 ( -4.171 -0.993 -0.645) 4.336 6.530 ( 3.025 -0.100 2.221) 3.754 6.595 ( 2.468 0.292 -3.803) 4.543 6.981 ( 1.419 0.452 3.167) 3.499 7.046 ( 1.259 -0.250 -3.277) 3.520 7.380 ( -1.394 0.922 4.566) 4.863 7.464 ( -2.797 1.072 -3.393) 4.526 7.500 ( -0.984 -0.734 4.123) 4.302 7.596 ( -1.640 -1.079 -4.912) 5.290 7.817 ( -0.002 -0.605 2.575) 2.645 7.867 ( 0.423 -1.376 -1.584) 2.140 7.945 ( 0.520 -0.302 2.086) 2.171 8.003 ( 0.902 1.108 -4.384) 4.611 8.615 ( -1.668 -0.150 2.378) 2.909 8.665 ( -1.486 -0.001 -2.352) 2.782 9.070 ( 0.393 -0.035 18.827) 18.831 9.395 ( 0.160 -0.030 -12.862) 12.863 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -1.412 0.606 1.287) 2.005 1.759 ( -1.349 0.902 -1.305) 2.083 2.242 ( -8.531 -2.636 3.618) 9.634 2.308 ( -5.505 -2.410 -2.368) 6.459 2.380 ( 2.174 -7.500 0.921) 7.863 2.409 ( 1.421 -6.566 -0.983) 6.789 2.768 ( -4.758 0.786 13.027) 13.891 2.907 ( -2.025 1.030 -1.098) 2.524 3.010 ( -3.826 -0.927 0.453) 3.963 3.056 ( -2.243 0.886 -2.248) 3.297 3.217 ( 0.615 1.919 1.198) 2.344 3.259 ( -0.903 0.294 -2.471) 2.647 3.287 ( 4.340 2.168 2.500) 5.457 3.348 ( 1.678 2.161 -2.183) 3.500 3.522 ( -3.380 1.674 2.534) 4.544 3.629 ( -0.610 2.861 -7.749) 8.283 3.879 ( -10.553 0.754 6.492) 12.413 4.021 ( -11.138 0.365 -7.911) 13.666 6.359 ( -4.522 -1.461 0.160) 4.755 6.369 ( -3.248 -1.722 -0.803) 3.763 6.598 ( 3.411 -0.922 1.711) 3.926 6.647 ( 2.499 -0.244 -2.978) 3.896 7.016 ( 2.153 0.399 3.449) 4.085 7.089 ( 2.023 -0.746 -3.586) 4.185 7.311 ( -3.972 1.543 3.642) 5.606 7.372 ( -4.635 1.715 -2.042) 5.347 7.445 ( -5.252 -0.622 4.301) 6.817 7.550 ( -4.109 -1.214 -5.696) 7.127 7.832 ( 0.067 -1.959 2.867) 3.473 7.895 ( 0.171 -3.150 -2.416) 3.973 7.985 ( 3.469 -0.711 2.009) 4.071 8.034 ( 3.470 1.474 -3.529) 5.164 8.557 ( -4.085 -0.217 2.393) 4.739 8.609 ( -3.982 0.235 -2.494) 4.704 9.088 ( 1.445 -0.178 18.365) 18.422 9.404 ( 0.805 -0.140 -12.497) 12.524 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -4.198 0.396 1.108) 4.360 1.700 ( -4.681 0.097 -1.152) 4.822 2.029 ( -14.185 -2.828 6.376) 15.808 2.158 ( -10.946 -2.149 -5.574) 12.470 2.456 ( -1.828 -8.244 4.349) 9.498 2.491 ( 2.081 -10.930 -0.645) 11.145 2.693 ( -2.020 0.687 9.221) 9.465 2.858 ( -1.960 3.878 -4.232) 6.065 2.963 ( -1.608 -0.410 2.421) 2.935 3.033 ( 0.404 1.333 -3.249) 3.535 3.176 ( -4.497 0.598 0.713) 4.592 3.199 ( -5.204 -0.391 -1.807) 5.523 3.327 ( -1.181 2.059 0.528) 2.431 3.328 ( -2.752 2.713 0.366) 3.882 3.458 ( -0.131 4.021 5.156) 6.540 3.536 ( -7.647 5.253 -2.287) 9.555 3.634 ( -12.118 1.396 5.561) 13.406 3.825 ( -5.542 0.051 -12.854) 13.998 6.289 ( -3.271 -1.101 1.599) 3.804 6.330 ( -1.675 -1.573 -2.445) 3.356 6.658 ( 1.200 -1.504 1.067) 2.200 6.685 ( 0.613 -0.979 -1.597) 1.971 7.034 ( -1.904 -1.915 2.357) 3.584 7.082 ( -4.213 -2.002 -1.976) 5.066 7.241 ( -2.404 1.054 3.291) 4.209 7.309 ( 1.053 2.066 -2.872) 3.691 7.328 ( -6.113 -0.425 5.403) 8.169 7.459 ( -4.831 -0.302 -6.913) 8.440 7.825 ( -2.046 -1.959 2.205) 3.590 7.888 ( -2.529 -2.403 -3.756) 5.126 8.079 ( 5.213 -0.812 2.677) 5.916 8.118 ( 4.904 -0.069 -1.288) 5.071 8.475 ( -3.816 -0.051 1.457) 4.085 8.517 ( -4.755 0.842 -2.495) 5.435 9.133 ( 3.117 -0.492 17.542) 17.824 9.432 ( 2.039 -0.304 -11.676) 11.856 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -11.642 0.365 1.303) 11.720 1.549 ( -10.549 -0.849 0.377) 10.590 1.778 ( -10.609 -1.076 6.710) 12.599 1.925 ( -13.076 -0.302 -6.521) 14.615 2.427 ( -4.002 -4.474 8.552) 10.449 2.533 ( -4.407 -5.150 -3.039) 7.428 2.671 ( -2.665 -3.970 5.588) 7.355 2.798 ( -2.531 1.389 -5.760) 6.443 2.879 ( -10.312 2.780 8.017) 13.354 2.965 ( -11.824 -0.235 4.153) 12.535 3.014 ( -7.149 0.584 -3.389) 7.933 3.078 ( -6.532 -1.205 -7.041) 9.680 3.223 ( -3.379 1.861 1.947) 4.321 3.257 ( -1.791 1.914 -1.166) 2.869 3.355 ( -4.389 2.606 1.617) 5.354 3.398 ( -3.904 3.504 -2.429) 5.781 3.564 ( 4.320 2.098 9.609) 10.743 3.800 ( 1.939 2.469 -13.489) 13.850 6.240 ( -2.599 -0.318 2.864) 3.880 6.310 ( -2.024 -0.759 -3.999) 4.546 6.608 ( -7.846 -1.266 2.387) 8.298 6.653 ( -5.292 -1.309 -2.020) 5.813 6.970 ( -4.921 -5.775 2.386) 7.954 7.012 ( -3.015 -4.602 -1.238) 5.639 7.201 ( -3.329 -0.040 2.897) 4.413 7.238 ( -2.524 -0.453 1.337) 2.892 7.327 ( 0.705 2.921 -0.370) 3.028 7.429 ( 3.102 1.406 -7.429) 8.172 7.771 ( -4.719 -1.814 1.918) 5.407 7.826 ( -4.672 -0.846 -3.547) 5.926 8.179 ( 4.024 -0.558 3.072) 5.093 8.197 ( 2.635 -0.539 0.930) 2.846 8.426 ( -2.403 1.240 -0.740) 2.803 8.447 ( 0.734 0.437 -2.515) 2.656 9.218 ( 5.219 -1.009 16.394) 17.235 9.490 ( 3.625 -0.506 -10.279) 10.911 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -17.180 0.327 8.039) 18.971 1.326 ( -11.750 2.196 0.045) 11.954 1.620 ( -8.228 0.848 -0.626) 8.295 1.668 ( -11.434 3.258 -5.441) 13.075 2.341 ( -12.496 4.178 3.010) 13.515 2.367 ( -11.536 1.592 1.010) 11.689 2.445 ( -12.455 0.581 13.917) 18.686 2.620 ( -12.529 -2.140 -3.735) 13.248 2.704 ( -6.507 -1.488 9.126) 11.306 2.856 ( -1.119 -4.083 0.268) 4.242 2.902 ( -4.034 -2.945 -2.145) 5.436 2.998 ( -3.200 -1.606 -11.814) 12.345 3.175 ( -1.371 2.004 2.239) 3.303 3.228 ( -1.903 0.568 -2.198) 2.962 3.327 ( 1.127 -1.657 0.956) 2.220 3.359 ( 0.940 -1.425 -2.019) 2.644 3.655 ( 6.184 4.608 7.395) 10.684 3.835 ( 3.353 4.942 -10.538) 12.113 6.146 ( -9.655 -0.340 1.080) 9.722 6.169 ( -13.533 -0.146 -1.052) 13.575 6.487 ( -1.917 -1.016 1.020) 2.397 6.530 ( -5.657 -1.878 -3.041) 6.692 6.916 ( -5.770 -6.100 4.657) 9.602 6.994 ( -2.690 -2.881 -2.521) 4.679 7.145 ( -1.846 -0.985 1.989) 2.886 7.216 ( 1.374 -2.542 -4.006) 4.940 7.355 ( 3.171 2.385 5.216) 6.554 7.488 ( 2.248 0.957 -7.215) 7.617 7.668 ( -6.406 -1.353 2.151) 6.892 7.728 ( -4.919 0.361 -4.119) 6.426 8.216 ( 0.839 0.834 1.617) 2.004 8.239 ( 1.272 1.568 0.128) 2.024 8.408 ( 1.656 0.622 4.057) 4.426 8.510 ( 4.404 -0.347 -5.170) 6.800 9.349 ( 7.269 -2.098 14.612) 16.455 9.576 ( 4.713 -0.795 -8.116) 9.419 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -10.240 5.498 13.511) 17.822 1.106 ( -7.267 5.545 3.145) 9.667 1.349 ( -14.750 5.747 -3.553) 16.224 1.497 ( -6.074 4.369 -11.884) 14.043 1.948 ( -14.493 6.678 19.219) 24.980 2.171 ( -6.832 0.339 -3.933) 7.891 2.350 ( -5.375 -2.885 3.048) 6.819 2.408 ( -7.086 0.035 -2.418) 7.488 2.617 ( -3.416 -3.131 14.725) 15.437 2.857 ( -1.372 -2.640 -0.683) 3.053 2.865 ( -1.939 -2.147 -0.369) 2.916 2.967 ( -1.188 -2.501 -14.726) 14.984 3.154 ( 0.206 1.551 1.516) 2.178 3.199 ( -0.857 -1.710 -2.032) 2.791 3.380 ( 1.766 -4.782 1.407) 5.289 3.415 ( 2.157 -4.361 -1.675) 5.145 3.739 ( 5.322 6.288 4.477) 9.376 3.863 ( 2.614 6.288 -7.809) 10.362 5.853 ( -14.369 0.162 1.357) 14.434 5.893 ( -15.644 -0.669 -2.964) 15.936 6.499 ( 1.593 -0.931 0.229) 1.859 6.511 ( 1.830 -0.433 -0.966) 2.115 6.807 ( -7.023 -2.739 4.934) 9.010 6.909 ( -4.980 2.390 -5.804) 8.012 7.181 ( 2.973 -5.286 6.897) 9.184 7.309 ( 4.856 -4.227 -4.011) 7.586 7.399 ( 2.006 0.737 4.620) 5.091 7.478 ( -3.050 -0.904 -3.133) 4.465 7.550 ( -6.117 -1.245 1.386) 6.394 7.657 ( -1.325 2.331 -8.303) 8.725 8.218 ( 0.415 2.767 1.392) 3.125 8.243 ( 0.682 2.116 -0.637) 2.313 8.454 ( 2.305 -0.077 7.139) 7.502 8.593 ( 3.314 -0.688 -6.337) 7.184 9.518 ( 7.448 -4.235 10.494) 13.547 9.671 ( 3.911 -1.080 -5.222) 6.613 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.000 9.991 16.518) 19.304 1.013 ( 0.000 7.586 20.662) 22.010 1.119 ( 0.000 2.953 -15.130) 15.415 1.400 ( 0.000 4.035 -17.829) 18.280 1.777 ( 0.000 3.696 23.714) 24.001 2.115 ( -0.000 -1.125 -10.245) 10.306 2.277 ( -0.000 -0.502 4.952) 4.977 2.356 ( -0.000 -0.596 -3.063) 3.120 2.607 ( -0.000 -2.971 17.112) 17.368 2.843 ( -0.000 -1.299 0.647) 1.451 2.857 ( -0.000 -1.053 -0.707) 1.268 2.973 ( -0.000 -2.676 -16.494) 16.709 3.151 ( 0.000 1.590 2.580) 3.031 3.205 ( -0.000 -1.631 -2.038) 2.611 3.432 ( -0.000 -5.527 1.502) 5.728 3.470 ( -0.000 -5.799 -1.824) 6.079 3.764 ( 0.000 6.654 2.280) 7.034 3.855 ( 0.000 5.784 -6.553) 8.741 5.694 ( 0.000 0.513 0.396) 0.648 5.700 ( 0.000 0.313 -0.189) 0.366 6.536 ( -0.000 -0.498 0.104) 0.509 6.540 ( -0.000 -0.495 -0.255) 0.557 6.730 ( -0.000 -1.504 4.702) 4.937 6.831 ( 0.000 3.967 -5.981) 7.177 7.265 ( -0.000 -7.231 9.390) 11.851 7.400 ( 0.000 0.140 1.041) 1.050 7.424 ( 0.000 0.158 -1.233) 1.243 7.427 ( 0.000 1.029 4.731) 4.841 7.477 ( -0.000 -6.252 -5.633) 8.415 7.632 ( 0.000 3.234 -9.936) 10.449 8.205 ( 0.000 2.626 2.243) 3.453 8.239 ( 0.000 1.811 -0.903) 2.024 8.479 ( -0.000 -0.057 8.012) 8.012 8.631 ( -0.000 -0.590 -6.907) 6.932 9.634 ( -0.000 -5.047 5.339) 7.346 9.719 ( -0.000 -0.826 -3.257) 3.360 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 4.806 0.000 1.550) 5.050 1.695 ( 3.460 0.000 -1.577) 3.802 2.115 ( 13.057 0.000 4.836) 13.924 2.218 ( 10.763 0.000 -4.552) 11.686 2.554 ( 6.882 0.000 11.837) 13.693 2.713 ( 8.565 0.000 -3.695) 9.328 2.784 ( -5.247 -0.000 3.970) 6.580 2.874 ( -4.883 -0.000 -5.122) 7.077 2.924 ( 0.181 0.000 1.727) 1.737 2.974 ( -2.501 -0.000 -3.064) 3.955 3.106 ( 5.456 0.000 4.781) 7.254 3.194 ( 1.405 0.000 -2.933) 3.252 3.257 ( 2.627 0.000 0.455) 2.666 3.272 ( 2.987 0.000 -0.474) 3.024 3.400 ( 6.248 0.000 2.695) 6.804 3.424 ( 10.442 0.000 0.049) 10.442 3.598 ( 11.185 0.000 7.386) 13.404 3.822 ( 5.459 0.000 -13.748) 14.793 6.311 ( 3.791 0.000 1.837) 4.213 6.361 ( 2.080 0.000 -3.197) 3.814 6.693 ( -1.071 -0.000 0.882) 1.387 6.708 ( -1.000 -0.000 -0.743) 1.246 7.089 ( -3.810 -0.000 2.316) 4.459 7.125 ( 1.527 0.000 0.196) 1.539 7.233 ( 4.682 0.000 0.172) 4.685 7.245 ( -2.190 -0.000 -2.706) 3.481 7.331 ( 6.861 0.000 5.534) 8.814 7.458 ( 6.377 0.000 -6.478) 9.090 7.865 ( 1.516 0.000 1.613) 2.213 7.930 ( 3.595 0.000 -4.939) 6.109 8.107 ( -5.092 -0.000 2.600) 5.718 8.143 ( -5.613 -0.000 -0.853) 5.678 8.470 ( 4.141 0.000 0.463) 4.167 8.489 ( 5.806 0.000 -1.289) 5.948 9.143 ( -3.612 -0.000 17.631) 17.997 9.438 ( -2.249 -0.000 -11.404) 11.624 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 1.446 -0.087 0.927) 1.720 1.738 ( 1.179 -0.182 -0.814) 1.445 2.298 ( 5.774 0.409 2.345) 6.246 2.351 ( 3.248 0.264 -2.584) 4.159 2.616 ( -7.292 2.651 4.080) 8.766 2.664 ( -9.314 4.652 -1.165) 10.476 2.733 ( 6.977 -1.237 12.237) 14.140 2.900 ( 7.873 0.401 -2.752) 8.350 2.969 ( 2.770 -2.581 -0.541) 3.825 2.998 ( 3.499 -0.786 -3.236) 4.830 3.147 ( 0.724 -0.743 1.543) 1.859 3.186 ( -1.699 -0.658 -1.331) 2.256 3.294 ( -0.997 0.723 0.362) 1.283 3.304 ( 0.531 -0.736 -0.777) 1.195 3.465 ( 3.173 -0.845 4.839) 5.848 3.571 ( 4.483 -0.139 -3.698) 5.813 3.894 ( 14.279 0.622 1.455) 14.367 3.973 ( 8.729 -0.983 -7.188) 11.350 6.392 ( 4.425 0.255 0.402) 4.450 6.410 ( 2.905 0.331 -1.455) 3.265 6.631 ( -4.362 0.387 0.968) 4.485 6.658 ( -3.552 0.139 -1.822) 3.995 7.013 ( -3.316 0.021 3.701) 4.969 7.102 ( -2.991 0.084 -4.946) 5.781 7.271 ( 3.986 -0.361 3.879) 5.574 7.329 ( 4.674 -0.376 -1.375) 4.886 7.460 ( 5.481 0.125 4.515) 7.102 7.567 ( 4.340 0.061 -5.579) 7.068 7.876 ( -0.329 0.305 2.874) 2.909 7.961 ( -1.291 0.178 -5.261) 5.420 8.011 ( -4.230 0.194 1.308) 4.432 8.032 ( -3.848 0.752 -0.911) 4.026 8.558 ( 4.158 -0.044 1.700) 4.493 8.596 ( 4.678 -0.185 -1.980) 5.083 9.091 ( -1.746 0.018 18.642) 18.723 9.408 ( -0.979 0.032 -12.344) 12.382 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.006 0.216 0.750) 1.274 1.755 ( 0.681 -0.483 -0.616) 1.037 2.348 ( -0.362 0.174 1.107) 1.178 2.368 ( -0.866 0.107 -0.644) 1.084 2.454 ( -6.947 2.910 0.973) 7.594 2.471 ( -6.552 1.670 -0.720) 6.800 2.858 ( 2.469 -1.176 14.478) 14.734 2.971 ( 0.398 0.050 -0.054) 0.405 3.036 ( 3.026 -2.503 0.847) 4.017 3.114 ( 3.739 0.482 -1.785) 4.171 3.172 ( 3.203 0.045 0.001) 3.204 3.177 ( 0.438 -0.348 -0.432) 0.707 3.236 ( -1.628 1.157 1.211) 2.336 3.311 ( -0.255 -0.198 -5.717) 5.726 3.531 ( 2.477 -1.470 2.630) 3.900 3.625 ( 1.466 0.175 -5.608) 5.799 4.064 ( 4.408 2.803 1.954) 5.577 4.135 ( 4.994 -2.814 -4.724) 7.428 6.460 ( 1.962 0.547 0.045) 2.037 6.466 ( 2.594 0.210 -0.484) 2.647 6.536 ( -4.814 0.135 1.668) 5.097 6.589 ( -2.444 -0.022 -3.374) 4.166 6.973 ( -0.619 -0.043 3.579) 3.633 7.051 ( -1.743 0.052 -4.071) 4.429 7.356 ( 3.707 -0.313 4.307) 5.691 7.418 ( 3.868 -0.875 -0.648) 4.019 7.524 ( 0.946 0.324 2.390) 2.590 7.613 ( 0.089 0.043 -5.360) 5.361 7.846 ( -2.089 0.660 2.252) 3.142 7.888 ( -3.723 -0.250 -1.216) 3.925 7.953 ( -1.499 0.160 1.918) 2.439 8.010 ( 0.220 0.845 -4.311) 4.398 8.615 ( 1.464 -0.059 2.133) 2.587 8.661 ( 1.759 -0.108 -2.291) 2.890 9.070 ( -0.478 -0.009 19.023) 19.029 9.396 ( -0.274 0.021 -12.811) 12.814 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.305 0.568 1.052) 1.233 1.774 ( 0.898 0.136 -1.008) 1.357 2.287 ( -3.989 -0.773 2.990) 5.045 2.338 ( -1.652 -0.858 -1.659) 2.493 2.354 ( -3.878 -0.467 0.986) 4.028 2.378 ( -3.961 -1.475 -1.302) 4.422 2.843 ( -3.415 -1.490 11.534) 12.121 2.948 ( -2.000 -0.356 -1.254) 2.387 3.077 ( -3.726 -1.236 5.697) 6.919 3.109 ( -2.101 -0.153 1.347) 2.500 3.163 ( 3.960 -0.181 0.147) 3.967 3.256 ( 2.794 2.599 1.002) 3.945 3.282 ( 3.017 1.751 -1.474) 3.787 3.320 ( 2.754 0.565 -8.550) 9.000 3.568 ( 0.362 -0.462 1.465) 1.579 3.640 ( 0.695 0.230 -5.518) 5.566 4.053 ( -3.776 2.643 4.260) 6.276 4.161 ( -3.852 -2.014 -6.012) 7.419 6.425 ( -4.464 -0.507 0.094) 4.494 6.430 ( -4.752 -0.789 -0.463) 4.839 6.529 ( 2.800 -0.046 2.320) 3.637 6.598 ( 2.421 0.239 -4.010) 4.690 6.986 ( 1.811 0.472 2.856) 3.414 7.043 ( 0.905 -0.279 -2.741) 2.900 7.390 ( -0.613 0.866 4.290) 4.420 7.469 ( -0.482 -0.289 -2.691) 2.749 7.497 ( -2.500 0.300 3.232) 4.097 7.583 ( -2.539 -1.110 -4.466) 5.256 7.812 ( -0.884 -0.208 2.009) 2.204 7.852 ( -0.568 -1.192 -1.253) 1.820 7.943 ( 0.469 -0.064 2.789) 2.829 8.016 ( 1.142 1.037 -4.908) 5.144 8.613 ( -1.750 -0.161 2.437) 3.004 8.664 ( -1.449 -0.051 -2.493) 2.884 9.070 ( 0.356 -0.034 18.856) 18.859 9.395 ( 0.121 -0.018 -12.875) 12.875 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -1.540 0.605 1.445) 2.197 1.769 ( -1.475 0.838 -1.445) 2.228 2.209 ( -8.146 -2.973 4.724) 9.875 2.274 ( -4.643 -3.324 -0.325) 5.719 2.311 ( -2.896 -4.308 -0.867) 5.262 2.343 ( -0.136 -4.685 -2.353) 5.244 2.777 ( -3.307 0.620 12.711) 13.149 2.922 ( -0.400 1.343 -1.793) 2.275 2.996 ( -3.582 -1.272 1.762) 4.189 3.063 ( -2.278 0.355 -2.128) 3.137 3.231 ( 1.012 0.481 0.810) 1.383 3.263 ( -1.416 0.542 -1.671) 2.256 3.310 ( 2.935 1.651 2.199) 4.022 3.374 ( 1.879 2.009 -3.016) 4.083 3.544 ( -1.825 2.186 3.148) 4.245 3.655 ( 0.788 1.429 -7.113) 7.298 3.896 ( -10.470 2.242 4.820) 11.742 4.018 ( -11.034 -0.951 -7.164) 13.190 6.343 ( -4.532 -1.312 0.089) 4.719 6.350 ( -3.468 -1.526 -0.541) 3.827 6.589 ( 3.029 -0.583 1.894) 3.619 6.645 ( 2.115 -0.112 -3.360) 3.971 7.023 ( 1.804 0.736 2.939) 3.526 7.079 ( 1.544 -1.015 -2.466) 3.081 7.328 ( -4.094 1.387 3.616) 5.636 7.391 ( -4.687 1.532 -2.355) 5.464 7.439 ( -4.952 -0.385 3.718) 6.204 7.532 ( -3.967 -1.702 -5.281) 6.821 7.811 ( -0.243 -1.601 2.494) 2.974 7.861 ( -0.144 -2.614 -1.683) 3.112 7.980 ( 3.458 -0.168 2.898) 4.515 8.050 ( 3.238 1.346 -4.558) 5.751 8.554 ( -4.131 -0.293 2.626) 4.904 8.611 ( -3.866 0.042 -2.731) 4.734 9.086 ( 1.307 -0.173 18.356) 18.403 9.402 ( 0.727 -0.117 -12.564) 12.586 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -4.607 0.002 0.903) 4.695 1.700 ( -5.509 -0.069 -1.093) 5.617 2.007 ( -12.556 -0.825 6.981) 14.390 2.138 ( -9.670 -1.123 -5.281) 11.075 2.349 ( -0.624 -10.213 1.711) 10.374 2.374 ( -0.108 -8.712 0.222) 8.716 2.707 ( -3.067 1.397 11.089) 11.590 2.900 ( -1.663 3.083 -5.646) 6.644 2.961 ( -0.479 0.104 3.539) 3.572 3.045 ( 0.770 0.865 -3.614) 3.795 3.181 ( -6.241 0.053 0.098) 6.242 3.196 ( -5.006 -0.095 -1.176) 5.143 3.344 ( -0.726 1.185 1.151) 1.805 3.353 ( -2.852 1.490 0.154) 3.221 3.510 ( 1.276 4.701 5.437) 7.299 3.594 ( -7.960 4.540 -2.167) 9.416 3.648 ( -12.524 1.120 4.255) 13.275 3.825 ( -4.681 -0.108 -12.603) 13.445 6.276 ( -2.907 -1.113 1.449) 3.434 6.312 ( -1.392 -1.608 -2.001) 2.920 6.642 ( 1.085 -1.280 1.136) 2.026 6.675 ( 0.300 -0.820 -2.022) 2.203 7.015 ( -3.909 -1.321 2.219) 4.685 7.059 ( -5.290 -1.879 -1.955) 5.945 7.254 ( -2.604 1.043 4.022) 4.904 7.318 ( -3.960 -0.740 5.713) 6.990 7.336 ( -1.237 1.945 -3.469) 4.165 7.453 ( -4.003 -0.798 -7.070) 8.164 7.804 ( -1.794 -1.717 2.310) 3.392 7.859 ( -1.781 -2.483 -2.807) 4.149 8.072 ( 5.375 -0.328 2.942) 6.136 8.122 ( 4.205 0.569 -2.089) 4.730 8.473 ( -3.733 -0.281 1.890) 4.194 8.524 ( -4.462 0.422 -2.931) 5.355 9.127 ( 2.877 -0.491 17.575) 17.815 9.428 ( 1.927 -0.291 -11.825) 11.985 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -12.348 -0.880 1.377) 12.456 1.551 ( -9.119 0.054 -0.475) 9.132 1.782 ( -8.628 1.994 7.444) 11.569 1.933 ( -10.736 1.676 -6.236) 12.529 2.353 ( -3.394 -7.910 7.232) 11.242 2.437 ( -1.120 -10.459 -1.870) 10.683 2.650 ( -2.984 -0.514 7.909) 8.469 2.819 ( -4.610 1.754 -6.559) 8.207 2.915 ( -5.775 2.964 5.367) 8.422 2.974 ( -13.720 1.978 3.336) 14.258 3.019 ( -8.484 0.329 -3.495) 9.181 3.070 ( -5.523 -0.321 -6.154) 8.275 3.249 ( -4.748 2.530 1.924) 5.714 3.280 ( -2.142 2.014 -1.019) 3.111 3.375 ( -7.074 0.823 2.034) 7.407 3.421 ( -7.369 0.520 -2.156) 7.696 3.597 ( 5.971 3.370 9.426) 11.656 3.832 ( 3.704 2.909 -13.366) 14.171 6.237 ( -2.080 -0.308 2.749) 3.461 6.301 ( -1.405 -0.813 -3.560) 3.912 6.592 ( -7.906 -1.358 2.209) 8.321 6.637 ( -5.828 -1.427 -2.181) 6.384 6.907 ( -6.767 -5.046 2.641) 8.845 6.959 ( -3.933 -4.310 -2.278) 6.264 7.200 ( -4.074 -0.207 3.527) 5.392 7.232 ( -3.027 -0.595 2.157) 3.764 7.356 ( 1.556 2.184 -0.638) 2.756 7.442 ( 3.224 0.871 -7.026) 7.780 7.754 ( -4.182 -1.064 2.370) 4.923 7.814 ( -3.963 -1.218 -3.574) 5.474 8.175 ( 4.111 -0.203 3.226) 5.229 8.192 ( 3.301 -0.324 1.146) 3.510 8.436 ( -0.926 0.539 -1.282) 1.671 8.453 ( -0.742 0.497 -2.509) 2.663 9.206 ( 4.790 -1.020 16.560) 17.269 9.483 ( 3.456 -0.534 -10.562) 11.126 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -13.404 3.647 6.733) 15.437 1.349 ( -10.347 1.642 -1.731) 10.619 1.639 ( -6.141 2.762 2.349) 7.132 1.715 ( -9.072 4.941 -4.659) 11.332 2.322 ( -4.024 -5.498 6.498) 9.415 2.378 ( -10.070 -0.869 -0.110) 10.108 2.491 ( -15.659 4.819 7.508) 18.022 2.600 ( -14.464 -0.218 -1.197) 14.515 2.696 ( -8.032 0.421 10.575) 13.287 2.816 ( -2.012 -2.423 0.006) 3.150 2.867 ( -4.986 -2.965 -3.078) 6.566 2.988 ( -3.448 -0.145 -12.550) 13.016 3.190 ( -2.128 0.494 1.585) 2.699 3.225 ( -4.654 -1.435 -1.618) 5.132 3.314 ( 0.367 -0.443 0.972) 1.130 3.344 ( -0.501 -1.116 -1.868) 2.233 3.706 ( 6.823 4.029 7.758) 11.089 3.894 ( 4.562 5.101 -10.877) 12.851 6.144 ( -10.165 -0.041 1.025) 10.217 6.167 ( -13.543 -0.134 -1.229) 13.600 6.473 ( -1.787 -1.471 0.987) 2.516 6.504 ( -5.377 -2.438 -2.194) 6.299 6.841 ( -4.605 -6.475 6.436) 10.226 6.951 ( -1.261 -4.465 -4.043) 6.154 7.133 ( -2.473 -1.106 2.173) 3.473 7.191 ( -0.947 -1.707 -2.938) 3.527 7.384 ( 2.379 2.371 4.072) 5.278 7.497 ( 1.474 0.618 -6.354) 6.552 7.659 ( -5.517 -0.097 2.908) 6.237 7.732 ( -3.955 0.313 -4.567) 6.050 8.222 ( 1.801 0.218 2.564) 3.141 8.257 ( 2.467 1.425 -0.045) 2.849 8.417 ( 0.920 0.848 2.563) 2.852 8.505 ( 4.007 -0.468 -4.990) 6.416 9.324 ( 6.265 -2.128 15.236) 16.611 9.566 ( 4.410 -0.933 -8.703) 9.801 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -4.589 10.334 10.053) 15.130 1.168 ( -5.039 5.018 -0.598) 7.137 1.431 ( -12.112 8.020 0.545) 14.537 1.559 ( -4.424 6.133 -9.165) 11.882 2.041 ( -15.187 8.909 13.950) 22.464 2.177 ( -8.613 0.699 -1.448) 8.762 2.315 ( -4.050 -3.034 5.013) 7.123 2.400 ( -7.194 -1.553 -2.750) 7.857 2.578 ( -4.559 -3.268 15.625) 16.601 2.820 ( -0.603 -3.587 -0.270) 3.648 2.835 ( -1.267 -2.957 -0.886) 3.337 2.945 ( -1.384 -1.277 -16.103) 16.213 3.150 ( -2.603 -3.524 -0.068) 4.382 3.168 ( -1.351 -2.505 -1.671) 3.301 3.342 ( 1.303 -1.604 1.337) 2.461 3.375 ( 1.603 -2.469 -1.757) 3.429 3.803 ( 5.329 4.648 5.010) 8.667 3.939 ( 3.171 6.504 -8.331) 11.034 5.856 ( -13.789 0.407 0.946) 13.828 5.885 ( -15.068 -0.640 -2.198) 15.241 6.486 ( 1.954 -1.352 1.088) 2.613 6.503 ( 1.805 -0.891 -0.888) 2.200 6.769 ( -5.740 -4.086 8.685) 11.184 6.922 ( -3.087 -0.447 -6.845) 7.523 7.129 ( 0.917 -3.570 4.834) 6.079 7.243 ( 3.319 -6.252 -5.654) 9.059 7.409 ( 0.912 0.818 3.743) 3.938 7.472 ( -3.317 -0.245 -2.627) 4.238 7.553 ( -4.600 1.540 4.027) 6.305 7.681 ( -0.662 1.998 -8.412) 8.671 8.247 ( 1.138 2.031 1.003) 2.535 8.271 ( 0.843 2.739 -0.875) 2.996 8.453 ( 2.135 -0.126 6.425) 6.772 8.583 ( 3.082 -0.997 -6.054) 6.866 9.466 ( 5.771 -4.462 12.762) 14.700 9.655 ( 3.557 -1.526 -6.367) 7.451 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 14.269 10.487) 17.708 1.133 ( 0.000 12.681 17.183) 21.356 1.164 ( 0.000 4.521 -11.627) 12.475 1.466 ( 0.000 7.164 -15.709) 17.265 1.840 ( 0.000 7.116 20.156) 21.375 2.099 ( -0.000 -1.541 -6.346) 6.530 2.268 ( -0.000 -1.042 4.732) 4.845 2.346 ( -0.000 -1.286 -3.070) 3.329 2.561 ( -0.000 -4.653 17.947) 18.540 2.822 ( -0.000 -2.363 0.844) 2.509 2.840 ( -0.000 -1.977 -0.878) 2.163 2.943 ( -0.000 -2.111 -17.144) 17.274 3.151 ( -0.000 -3.381 0.069) 3.381 3.174 ( -0.000 -2.744 -1.763) 3.262 3.372 ( -0.000 -3.702 1.924) 4.172 3.413 ( -0.000 -3.949 -1.885) 4.376 3.835 ( 0.000 5.292 2.334) 5.784 3.933 ( 0.000 7.045 -6.901) 9.862 5.703 ( 0.000 0.937 0.231) 0.965 5.706 ( 0.000 0.585 -0.038) 0.586 6.528 ( -0.000 -0.908 0.111) 0.915 6.532 ( -0.000 -0.899 -0.256) 0.935 6.711 ( -0.000 -2.049 9.284) 9.508 6.874 ( 0.000 2.920 -7.965) 8.483 7.181 ( -0.000 -6.788 7.587) 10.180 7.348 ( -0.000 -9.977 -8.218) 12.926 7.403 ( 0.000 0.251 1.056) 1.085 7.426 ( 0.000 0.273 -1.242) 1.272 7.484 ( 0.000 3.482 7.692) 8.444 7.665 ( 0.000 2.472 -9.896) 10.200 8.241 ( 0.000 3.194 1.159) 3.398 8.265 ( 0.000 2.617 -0.799) 2.736 8.478 ( -0.000 -0.220 7.498) 7.502 8.622 ( -0.000 -1.080 -6.551) 6.640 9.565 ( -0.000 -6.404 9.493) 11.451 9.704 ( -0.000 -1.769 -4.686) 5.009 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 1.356 0.000 0.497) 1.444 1.752 ( 0.498 0.000 -0.343) 0.605 2.348 ( -0.327 -0.000 1.049) 1.099 2.368 ( -0.862 -0.000 -0.671) 1.092 2.472 ( -7.079 -0.000 0.621) 7.106 2.482 ( -8.753 -0.000 -0.365) 8.760 2.850 ( 2.188 0.000 14.017) 14.187 2.972 ( -0.174 -0.000 -1.936) 1.944 3.019 ( 4.068 0.000 2.929) 5.013 3.117 ( 3.128 0.000 -1.739) 3.579 3.173 ( 4.719 0.000 -0.368) 4.733 3.175 ( 0.345 0.000 -0.419) 0.543 3.243 ( -1.259 -0.000 1.533) 1.983 3.309 ( -0.214 -0.000 -5.542) 5.546 3.522 ( 2.619 0.000 3.389) 4.283 3.626 ( 1.511 0.000 -5.558) 5.760 4.096 ( 3.563 0.000 -1.899) 4.038 4.103 ( 6.014 0.000 -1.562) 6.214 6.464 ( 1.718 0.000 -0.088) 1.720 6.467 ( 2.607 0.000 -0.304) 2.624 6.536 ( -5.086 -0.000 1.582) 5.326 6.589 ( -2.427 -0.000 -3.359) 4.144 6.973 ( -0.548 -0.000 3.592) 3.634 7.051 ( -1.769 -0.000 -4.099) 4.464 7.354 ( 3.957 0.000 4.205) 5.774 7.412 ( 3.801 0.000 -0.412) 3.823 7.526 ( 0.996 0.000 2.276) 2.484 7.613 ( -0.021 -0.000 -5.335) 5.335 7.850 ( -2.139 -0.000 1.973) 2.910 7.886 ( -3.939 -0.000 -0.934) 4.049 7.954 ( -1.598 -0.000 2.046) 2.596 8.015 ( 0.121 0.000 -4.455) 4.456 8.615 ( 1.452 0.000 2.106) 2.558 8.661 ( 1.797 0.000 -2.319) 2.933 9.070 ( -0.481 -0.000 19.065) 19.071 9.396 ( -0.283 -0.000 -12.805) 12.808 ======================= Grid point 393 (129/147) ======================= q-point: (-0.69 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.212 0.266 0.840) 0.906 1.775 ( 1.491 0.005 -0.777) 1.682 2.283 ( -5.623 -0.122 2.828) 6.295 2.331 ( -3.032 -0.320 -1.572) 3.430 2.353 ( -4.479 0.370 0.288) 4.504 2.362 ( -4.574 -1.145 -0.558) 4.748 2.830 ( -2.772 -0.598 10.773) 11.140 2.946 ( -1.505 -0.097 -3.129) 3.474 3.065 ( -3.587 -0.602 8.351) 9.109 3.109 ( -1.591 0.014 1.470) 2.166 3.162 ( 3.645 -0.041 -0.167) 3.649 3.280 ( 2.347 1.476 0.407) 2.802 3.290 ( 1.662 -0.150 -1.128) 2.015 3.328 ( 4.786 0.583 -8.499) 9.771 3.564 ( 1.416 -0.259 2.342) 2.749 3.641 ( 0.465 0.003 -4.582) 4.606 4.086 ( -3.665 2.620 0.360) 4.520 4.134 ( -3.675 -2.344 -3.569) 5.634 6.422 ( -4.928 -0.076 -0.065) 4.929 6.423 ( -5.062 -0.396 -0.244) 5.083 6.529 ( 2.719 -0.012 2.368) 3.606 6.600 ( 2.387 0.092 -4.135) 4.776 6.991 ( 2.144 0.218 2.600) 3.377 7.040 ( 0.579 -0.139 -2.327) 2.402 7.398 ( -0.108 0.421 3.986) 4.009 7.463 ( 0.514 -0.426 -0.617) 0.910 7.502 ( -2.851 0.362 1.137) 3.091 7.573 ( -3.298 -0.514 -4.150) 5.326 7.812 ( -1.419 0.012 1.503) 2.067 7.841 ( -1.015 -0.503 -0.883) 1.437 7.943 ( 0.467 0.011 3.204) 3.238 8.024 ( 1.191 0.408 -5.228) 5.377 8.612 ( -1.798 -0.069 2.464) 3.051 8.664 ( -1.438 -0.029 -2.595) 2.967 9.069 ( 0.334 -0.014 18.889) 18.892 9.394 ( 0.098 -0.006 -12.881) 12.882 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -1.681 0.390 1.572) 2.334 1.777 ( -1.617 0.526 -1.527) 2.286 2.177 ( -6.623 -2.305 5.875) 9.149 2.244 ( -5.256 -1.643 0.290) 5.515 2.272 ( -5.381 -2.644 -0.950) 6.070 2.305 ( -2.077 -1.970 -4.020) 4.935 2.782 ( -2.188 0.364 12.421) 12.618 2.936 ( 0.567 1.157 -3.205) 3.454 2.982 ( -3.315 -1.110 3.483) 4.935 3.065 ( -2.351 0.115 -2.083) 3.144 3.233 ( 1.476 -0.051 0.841) 1.700 3.269 ( -2.073 0.451 -2.187) 3.046 3.324 ( 2.289 0.899 2.629) 3.600 3.392 ( 1.108 1.024 -3.326) 3.652 3.570 ( -0.135 2.019 3.149) 3.743 3.661 ( 1.466 -0.132 -4.398) 4.638 3.928 ( -10.378 3.252 0.775) 10.903 3.999 ( -10.843 -2.239 -5.566) 12.392 6.330 ( -4.529 -0.770 0.040) 4.594 6.335 ( -3.660 -0.900 -0.351) 3.786 6.585 ( 2.771 -0.266 1.988) 3.421 6.644 ( 1.859 -0.032 -3.604) 4.055 7.033 ( 1.734 0.961 2.122) 2.904 7.066 ( 1.022 -1.122 -1.137) 1.896 7.341 ( -4.271 0.886 3.707) 5.725 7.404 ( -5.100 0.614 -1.724) 5.418 7.439 ( -4.190 0.418 1.993) 4.659 7.512 ( -3.899 -1.597 -4.603) 6.240 7.797 ( -0.520 -0.801 2.031) 2.245 7.837 ( -0.346 -1.501 -1.166) 1.931 7.980 ( 3.456 0.028 3.483) 4.907 8.063 ( 3.128 0.800 -5.152) 6.080 8.551 ( -4.186 -0.208 2.770) 5.024 8.610 ( -3.829 -0.037 -2.902) 4.805 9.084 ( 1.207 -0.106 18.378) 18.418 9.401 ( 0.670 -0.067 -12.612) 12.630 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -5.308 -0.224 0.805) 5.373 1.699 ( -6.238 -0.162 -1.148) 6.345 2.012 ( -9.542 1.855 7.270) 12.139 2.133 ( -7.669 0.163 -4.059) 8.678 2.233 ( -1.771 -9.494 2.060) 9.875 2.288 ( -2.111 -6.241 -1.622) 6.785 2.721 ( -3.669 0.998 11.733) 12.334 2.925 ( -2.561 1.338 -6.707) 7.303 2.966 ( 1.670 0.696 4.324) 4.687 3.054 ( 1.471 0.651 -3.826) 4.151 3.179 ( -7.408 -0.145 0.103) 7.410 3.197 ( -4.794 0.222 -1.145) 4.934 3.355 ( -0.160 0.672 1.445) 1.601 3.365 ( -2.705 0.689 0.362) 2.815 3.560 ( 1.040 3.759 5.672) 6.884 3.632 ( -7.608 1.558 0.964) 7.826 3.664 ( -14.343 1.908 0.370) 14.475 3.823 ( -2.883 -0.249 -12.674) 13.000 6.265 ( -2.568 -0.822 1.306) 2.996 6.295 ( -1.124 -1.215 -1.608) 2.307 6.630 ( 0.904 -0.831 1.182) 1.704 6.667 ( -0.001 -0.527 -2.354) 2.412 7.004 ( -5.624 -0.569 1.855) 5.950 7.040 ( -5.737 -1.512 -1.508) 6.121 7.265 ( -2.924 0.894 4.624) 5.544 7.308 ( -4.668 -0.940 6.016) 7.672 7.358 ( -1.036 1.795 -4.258) 4.736 7.442 ( -3.114 -1.118 -7.079) 7.814 7.788 ( -1.318 -1.007 2.116) 2.689 7.834 ( -1.267 -1.880 -1.903) 2.960 8.070 ( 5.465 -0.013 3.198) 6.332 8.129 ( 3.657 0.638 -2.749) 4.619 8.469 ( -3.700 -0.324 2.213) 4.324 8.527 ( -4.289 0.110 -3.225) 5.367 9.122 ( 2.693 -0.359 17.630) 17.838 9.426 ( 1.835 -0.209 -11.949) 12.091 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -10.376 0.234 0.759) 10.406 1.547 ( -9.011 -0.551 -1.011) 9.085 1.824 ( -6.881 5.193 7.535) 11.450 1.962 ( -8.317 3.403 -5.227) 10.396 2.251 ( -2.820 -9.603 5.454) 11.398 2.311 ( -0.595 -10.706 -0.113) 10.723 2.647 ( -3.617 -0.208 9.192) 9.880 2.831 ( -6.690 0.230 -5.137) 8.437 2.946 ( -6.808 2.578 2.427) 7.673 3.005 ( -8.518 2.486 1.263) 8.963 3.024 ( -9.210 1.005 -3.159) 9.789 3.071 ( -3.879 0.576 -4.730) 6.144 3.280 ( -5.876 2.705 1.300) 6.598 3.301 ( -2.629 1.635 -0.718) 3.178 3.376 ( -9.635 -0.596 2.035) 9.866 3.415 ( -9.452 -1.333 -1.422) 9.651 3.636 ( 5.906 3.138 8.946) 11.170 3.864 ( 4.966 2.528 -13.068) 14.206 6.234 ( -1.501 -0.225 2.632) 3.038 6.292 ( -0.701 -0.670 -3.125) 3.272 6.578 ( -8.023 -1.129 2.035) 8.353 6.621 ( -6.462 -1.221 -2.280) 6.961 6.856 ( -8.146 -3.671 2.846) 9.377 6.915 ( -5.081 -3.280 -2.883) 6.700 7.197 ( -4.567 -0.311 4.008) 6.084 7.225 ( -3.406 -0.623 2.704) 4.393 7.377 ( 2.111 1.419 -0.934) 2.710 7.449 ( 3.322 0.415 -6.705) 7.494 7.747 ( -3.301 -0.129 2.124) 3.928 7.799 ( -3.270 -1.310 -2.957) 4.599 8.175 ( 3.847 0.140 3.165) 4.984 8.189 ( 3.620 -0.238 1.444) 3.904 8.439 ( 0.453 0.013 -1.366) 1.439 8.458 ( -1.909 0.389 -2.826) 3.433 9.196 ( 4.465 -0.804 16.709) 17.314 9.478 ( 3.308 -0.436 -10.807) 11.310 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -8.988 5.497 3.322) 11.048 1.365 ( -8.881 1.229 -1.579) 9.103 1.686 ( -4.691 5.388 4.535) 8.461 1.781 ( -7.062 6.418 -3.767) 10.260 2.243 ( -3.159 -7.851 8.186) 11.774 2.332 ( -4.283 -6.799 -1.154) 8.118 2.520 ( -11.852 0.827 6.981) 13.780 2.609 ( -16.438 -0.148 -0.600) 16.450 2.728 ( -10.361 4.810 8.817) 14.430 2.810 ( -5.474 2.061 -0.288) 5.856 2.839 ( -5.636 -1.621 -3.821) 6.999 2.992 ( -3.757 0.790 -11.809) 12.417 3.186 ( -3.942 -1.319 0.314) 4.169 3.194 ( -7.987 -3.748 -0.414) 8.832 3.316 ( 0.606 0.438 0.481) 0.889 3.335 ( -0.068 -0.293 -1.296) 1.330 3.746 ( 6.594 2.844 8.602) 11.205 3.949 ( 5.274 4.243 -11.431) 13.285 6.145 ( -10.400 0.261 0.875) 10.440 6.166 ( -13.783 0.033 -1.203) 13.836 6.454 ( -1.983 -1.645 1.017) 2.770 6.475 ( -4.711 -2.495 -1.191) 5.462 6.773 ( -4.262 -5.185 6.483) 9.331 6.895 ( -0.953 -4.926 -5.373) 7.352 7.122 ( -2.912 -0.825 3.052) 4.298 7.175 ( -1.964 -1.188 -1.529) 2.758 7.408 ( 1.735 1.779 2.967) 3.871 7.502 ( 1.015 0.302 -5.693) 5.790 7.666 ( -4.214 1.275 2.791) 5.213 7.735 ( -2.865 0.173 -4.224) 5.106 8.222 ( 2.227 -0.328 3.726) 4.353 8.270 ( 3.413 0.915 -0.082) 3.535 8.427 ( 0.416 0.889 0.937) 1.357 8.499 ( 3.653 -0.519 -4.797) 6.052 9.302 ( 5.523 -1.685 15.686) 16.715 9.556 ( 4.123 -0.833 -9.205) 10.121 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.602 12.073 4.470) 12.888 1.218 ( -3.617 3.563 -0.299) 5.086 1.529 ( -8.632 8.871 3.307) 12.812 1.638 ( -3.002 7.548 -6.414) 10.350 2.130 ( -13.096 4.709 8.095) 16.100 2.186 ( -8.762 1.151 1.004) 8.894 2.289 ( -5.159 -0.945 5.360) 7.500 2.373 ( -6.810 -3.093 -2.308) 7.827 2.553 ( -6.155 -0.535 16.902) 17.995 2.778 ( -0.182 -3.437 0.088) 3.443 2.800 ( -1.025 -2.857 -1.365) 3.328 2.937 ( -1.681 -0.254 -17.180) 17.264 3.083 ( -5.686 -6.840 1.331) 8.993 3.138 ( -1.983 -3.423 -4.096) 5.694 3.336 ( 1.220 0.143 0.934) 1.543 3.359 ( 1.417 -0.471 -1.209) 1.921 3.845 ( 4.844 2.704 6.638) 8.651 4.008 ( 3.426 5.456 -9.457) 11.443 5.862 ( -13.216 0.626 0.498) 13.240 5.879 ( -14.378 -0.356 -1.383) 14.449 6.468 ( 2.366 -1.668 2.022) 3.531 6.491 ( 1.859 -1.139 -0.821) 2.330 6.715 ( -4.788 -4.993 9.939) 12.110 6.897 ( -1.706 -3.779 -7.793) 8.827 7.098 ( -0.348 -1.935 3.556) 4.063 7.182 ( 1.200 -4.067 -4.217) 5.981 7.417 ( -0.115 0.614 2.723) 2.794 7.471 ( -3.174 0.043 -2.474) 4.025 7.583 ( -2.645 3.548 4.345) 6.202 7.704 ( -0.083 1.857 -7.558) 7.783 8.262 ( 1.698 0.676 1.722) 2.511 8.302 ( 1.085 2.344 -1.593) 3.035 8.452 ( 1.806 -0.005 5.290) 5.590 8.571 ( 2.789 -1.094 -5.797) 6.526 9.419 ( 4.544 -3.473 14.287) 15.389 9.637 ( 3.176 -1.481 -7.368) 8.159 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 13.167 5.508) 14.273 1.218 ( 0.000 4.802 -7.264) 8.707 1.294 ( 0.000 14.746 13.294) 19.854 1.560 ( 0.000 8.846 -12.833) 15.586 1.934 ( 0.000 8.648 14.290) 16.703 2.085 ( -0.000 -0.417 -1.945) 1.989 2.253 ( -0.000 -1.624 4.320) 4.616 2.326 ( -0.000 -2.166 -3.009) 3.707 2.509 ( -0.000 -3.955 19.539) 19.935 2.791 ( -0.000 -2.935 1.069) 3.123 2.813 ( -0.000 -2.606 -1.077) 2.820 2.926 ( -0.000 -1.006 -18.761) 18.788 3.073 ( -0.000 -8.551 1.900) 8.760 3.143 ( -0.000 -3.573 -4.779) 5.967 3.351 ( -0.000 -0.478 1.399) 1.479 3.381 ( -0.000 -1.614 -1.481) 2.190 3.883 ( 0.000 2.984 4.232) 5.179 4.010 ( 0.000 6.199 -8.055) 10.164 5.713 ( 0.000 0.758 0.179) 0.779 5.715 ( 0.000 1.182 -0.004) 1.182 6.516 ( -0.000 -1.142 0.123) 1.148 6.520 ( -0.000 -1.126 -0.258) 1.155 6.677 ( -0.000 -3.929 12.578) 13.178 6.887 ( -0.000 -0.884 -8.982) 9.025 7.118 ( -0.000 -3.966 5.167) 6.514 7.241 ( -0.000 -7.984 -6.379) 10.219 7.406 ( 0.000 0.308 1.069) 1.113 7.430 ( 0.000 0.320 -1.249) 1.289 7.531 ( 0.000 4.637 6.578) 8.048 7.692 ( 0.000 2.380 -9.197) 9.500 8.272 ( 0.000 1.871 0.839) 2.051 8.297 ( 0.000 2.737 -1.158) 2.971 8.474 ( -0.000 -0.349 6.690) 6.699 8.607 ( -0.000 -1.348 -6.162) 6.307 9.496 ( -0.000 -5.323 12.636) 13.711 9.682 ( -0.000 -1.958 -6.069) 6.377 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -1.742 -0.000 1.622) 2.380 1.781 ( -1.685 -0.000 -1.555) 2.292 2.163 ( -6.067 -0.000 6.245) 8.707 2.235 ( -5.747 -0.000 0.051) 5.748 2.255 ( -5.791 -0.000 -0.580) 5.820 2.294 ( -2.944 -0.000 -4.513) 5.388 2.785 ( -1.771 -0.000 12.307) 12.434 2.944 ( 1.159 0.000 -5.001) 5.133 2.974 ( -3.491 -0.000 5.372) 6.407 3.066 ( -2.383 -0.000 -2.074) 3.159 3.232 ( 1.595 0.000 0.891) 1.827 3.272 ( -2.226 -0.000 -2.437) 3.300 3.330 ( 2.080 0.000 2.777) 3.470 3.397 ( 0.691 0.000 -3.346) 3.417 3.584 ( 0.594 0.000 2.867) 2.928 3.658 ( 1.575 0.000 -2.849) 3.256 3.963 ( -9.269 -0.000 -3.573) 9.934 3.971 ( -11.784 -0.000 -2.418) 12.029 6.326 ( -4.525 -0.000 0.019) 4.525 6.330 ( -3.739 -0.000 -0.278) 3.749 6.583 ( 2.681 0.000 2.016) 3.354 6.644 ( 1.771 0.000 -3.686) 4.090 7.041 ( 2.153 0.000 1.466) 2.605 7.057 ( 0.387 0.000 -0.275) 0.475 7.347 ( -4.366 -0.000 3.796) 5.786 7.407 ( -5.353 -0.000 -0.889) 5.426 7.443 ( -3.706 -0.000 0.541) 3.746 7.502 ( -3.935 -0.000 -4.185) 5.745 7.792 ( -0.632 -0.000 1.795) 1.903 7.828 ( -0.414 -0.000 -0.947) 1.034 7.980 ( 3.459 0.000 3.687) 5.056 8.068 ( 3.095 0.000 -5.350) 6.180 8.550 ( -4.210 -0.000 2.818) 5.066 8.610 ( -3.824 -0.000 -2.963) 4.838 9.083 ( 1.171 0.000 18.391) 18.428 9.401 ( 0.649 0.000 -12.629) 12.646 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -5.706 -0.118 0.777) 5.759 1.697 ( -6.685 -0.084 -1.207) 6.794 2.047 ( -5.588 3.715 7.999) 10.441 2.135 ( -4.592 -3.811 1.205) 6.088 2.143 ( -6.057 -1.903 -1.213) 6.464 2.234 ( -3.654 -2.760 -4.212) 6.221 2.729 ( -4.017 0.347 11.902) 12.566 2.934 ( -3.233 0.289 -6.530) 7.292 2.973 ( 2.969 0.364 4.133) 5.102 3.059 ( 1.947 0.251 -4.063) 4.513 3.179 ( -7.668 0.058 0.228) 7.672 3.199 ( -4.854 0.035 -1.212) 5.003 3.360 ( 0.085 0.216 1.549) 1.566 3.370 ( -2.533 0.209 0.478) 2.586 3.593 ( 0.904 1.761 6.550) 6.842 3.636 ( -8.287 -0.296 2.315) 8.609 3.684 ( -15.688 1.129 -1.823) 15.834 3.820 ( -0.929 -0.158 -12.967) 13.002 6.258 ( -2.364 -0.301 1.215) 2.675 6.285 ( -0.960 -0.454 -1.372) 1.735 6.623 ( 0.770 -0.285 1.203) 1.456 6.663 ( -0.185 -0.180 -2.532) 2.545 7.001 ( -6.932 -0.046 1.396) 7.072 7.026 ( -5.534 -0.678 -0.936) 5.654 7.273 ( -3.093 0.485 5.096) 5.981 7.299 ( -4.807 -0.536 5.844) 7.585 7.374 ( -1.611 0.908 -4.592) 4.951 7.430 ( -2.291 -0.702 -7.025) 7.422 7.780 ( -0.942 -0.287 1.803) 2.055 7.818 ( -1.046 -0.723 -1.265) 1.794 8.071 ( 5.499 0.036 3.345) 6.437 8.135 ( 3.369 0.267 -3.099) 4.586 8.466 ( -3.694 -0.142 2.382) 4.398 8.528 ( -4.211 0.003 -3.368) 5.392 9.119 ( 2.596 -0.131 17.670) 17.860 9.424 ( 1.784 -0.076 -12.019) 12.151 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -9.002 0.435 -0.144) 9.014 1.542 ( -8.195 -0.222 -0.984) 8.257 1.900 ( -5.389 7.802 6.433) 11.458 2.008 ( -6.143 4.131 -3.987) 8.408 2.134 ( -1.855 -10.507 5.184) 11.863 2.202 ( -2.253 -7.862 0.816) 8.219 2.645 ( -4.299 -0.151 9.679) 10.592 2.828 ( -8.146 -0.386 -3.688) 8.950 2.972 ( -8.958 1.619 -0.465) 9.115 3.015 ( -6.250 0.075 -2.485) 6.727 3.047 ( -6.233 1.985 -0.105) 6.543 3.082 ( -2.107 1.072 -3.258) 4.026 3.309 ( -5.433 2.214 0.426) 5.882 3.317 ( -3.390 1.120 -0.305) 3.583 3.365 ( -12.006 -1.044 1.858) 12.194 3.395 ( -11.186 -1.824 -0.922) 11.371 3.665 ( 5.335 1.795 8.732) 10.389 3.888 ( 5.657 1.447 -12.798) 14.067 6.232 ( -1.037 -0.111 2.543) 2.749 6.286 ( -0.122 -0.373 -2.809) 2.837 6.567 ( -8.127 -0.636 1.903) 8.371 6.610 ( -7.009 -0.710 -2.305) 7.412 6.824 ( -8.992 -1.918 2.947) 9.655 6.886 ( -5.963 -1.772 -3.163) 6.979 7.193 ( -4.830 -0.228 4.285) 6.460 7.219 ( -3.673 -0.406 3.000) 4.760 7.389 ( 2.381 0.694 -1.163) 2.739 7.452 ( 3.419 0.142 -6.480) 7.328 7.749 ( -2.356 0.450 1.351) 2.752 7.785 ( -2.926 -1.080 -1.916) 3.660 8.177 ( 3.309 0.329 2.879) 4.399 8.186 ( 3.902 -0.280 1.849) 4.327 8.438 ( 0.992 -0.097 -1.322) 1.656 8.461 ( -2.198 0.163 -3.116) 3.816 9.188 ( 4.275 -0.437 16.809) 17.350 9.474 ( 3.212 -0.243 -10.968) 11.431 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -7.498 1.698 1.228) 7.785 1.391 ( -5.771 3.952 -1.999) 7.275 1.762 ( -4.183 7.476 5.250) 10.047 1.861 ( -5.256 7.318 -3.298) 9.594 2.148 ( -2.128 -8.191 8.648) 12.100 2.234 ( -0.944 -9.630 0.160) 9.677 2.524 ( -10.831 0.059 7.408) 13.122 2.593 ( -15.010 -1.919 2.063) 15.272 2.772 ( -9.566 2.249 0.673) 9.850 2.830 ( -6.149 0.047 -3.294) 6.976 2.872 ( -9.875 7.575 0.370) 12.451 3.005 ( -4.117 1.359 -9.617) 10.549 3.144 ( -10.195 -4.554 0.506) 11.178 3.160 ( -6.373 -3.062 -1.224) 7.176 3.319 ( 0.555 0.078 0.760) 0.944 3.338 ( 0.969 0.541 -0.960) 1.467 3.771 ( 6.070 1.619 9.536) 11.420 3.990 ( 5.634 2.773 -11.982) 13.528 6.149 ( -10.529 0.356 0.719) 10.560 6.168 ( -14.046 0.169 -1.095) 14.090 6.437 ( -3.020 -1.338 1.115) 3.486 6.449 ( -3.221 -1.903 -0.350) 3.758 6.724 ( -4.226 -3.234 5.806) 7.876 6.844 ( -1.335 -3.669 -5.873) 7.052 7.114 ( -3.111 -0.480 3.579) 4.766 7.163 ( -2.257 -0.882 -0.629) 2.503 7.424 ( 1.244 1.019 2.333) 2.834 7.505 ( 0.796 0.107 -5.254) 5.315 7.686 ( -2.896 1.989 1.852) 3.972 7.735 ( -1.913 -0.296 -3.141) 3.690 8.216 ( 2.208 -0.504 4.747) 5.260 8.278 ( 3.952 0.460 -0.076) 3.979 8.437 ( 0.219 0.705 -0.378) 0.829 8.493 ( 3.417 -0.457 -4.615) 5.760 9.286 ( 5.091 -1.039 15.942) 16.767 9.548 ( 3.918 -0.558 -9.548) 10.335 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -2.440 1.839 2.672) 4.059 1.293 ( 0.621 10.269 -1.651) 10.420 1.632 ( -5.496 8.831 4.405) 11.296 1.732 ( -2.574 8.580 -4.174) 9.883 2.124 ( -6.231 -3.981 8.924) 11.589 2.206 ( -5.901 0.701 -0.526) 5.966 2.288 ( -8.481 -0.417 3.967) 9.372 2.338 ( -8.384 -2.355 -0.981) 8.764 2.578 ( -7.895 5.166 15.774) 18.381 2.744 ( -0.576 -2.329 0.434) 2.439 2.773 ( -1.734 -1.635 -1.773) 2.971 2.937 ( -2.205 0.116 -16.566) 16.713 3.002 ( -7.264 -6.930 2.427) 10.329 3.089 ( -3.170 -4.818 -6.239) 8.496 3.339 ( 1.162 0.307 1.056) 1.600 3.360 ( 1.238 0.475 -0.996) 1.658 3.868 ( 4.251 1.275 8.571) 9.652 4.063 ( 3.527 3.890 -10.740) 11.955 5.870 ( -12.786 0.652 0.111) 12.803 5.877 ( -13.768 -0.076 -0.711) 13.786 6.449 ( 2.737 -1.639 2.971) 4.359 6.478 ( 1.971 -1.067 -0.806) 2.382 6.661 ( -4.540 -4.136 9.071) 10.955 6.844 ( -1.348 -4.818 -8.477) 9.843 7.081 ( -0.772 -1.004 3.575) 3.792 7.148 ( -0.012 -1.937 -2.640) 3.274 7.423 ( -0.689 0.396 2.207) 2.346 7.472 ( -3.036 0.062 -2.439) 3.894 7.630 ( -1.074 4.353 3.333) 5.586 7.722 ( 0.432 1.215 -5.809) 5.951 8.264 ( 1.957 -0.343 2.925) 3.536 8.324 ( 1.410 1.484 -2.100) 2.933 8.453 ( 1.419 0.239 3.795) 4.058 8.559 ( 2.505 -0.971 -5.624) 6.233 9.387 ( 3.850 -2.193 15.045) 15.684 9.622 ( 2.893 -1.100 -8.062) 8.636 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 5.676 4.184) 7.052 1.287 ( 0.000 8.057 -5.178) 9.577 1.464 ( 0.000 14.197 9.847) 17.278 1.664 ( 0.000 8.873 -9.777) 13.204 2.012 ( 0.000 3.521 9.753) 10.369 2.104 ( 0.000 4.268 -0.407) 4.288 2.231 ( -0.000 -2.141 3.646) 4.228 2.295 ( -0.000 -3.202 -2.736) 4.211 2.483 ( 0.000 0.155 21.188) 21.188 2.757 ( -0.000 -2.760 1.161) 2.995 2.781 ( -0.000 -2.762 -1.191) 3.008 2.918 ( -0.000 -0.696 -19.104) 19.117 2.970 ( -0.000 -8.698 3.675) 9.443 3.091 ( -0.000 -5.319 -7.704) 9.362 3.350 ( 0.000 0.198 1.143) 1.161 3.372 ( -0.000 -0.056 -1.032) 1.033 3.906 ( 0.000 1.253 6.851) 6.965 4.074 ( 0.000 4.752 -9.598) 10.710 5.722 ( 0.000 0.766 0.408) 0.868 5.729 ( 0.000 1.175 -0.252) 1.202 6.503 ( -0.000 -1.127 0.139) 1.136 6.507 ( -0.000 -1.106 -0.264) 1.137 6.624 ( -0.000 -4.841 13.396) 14.244 6.855 ( -0.000 -4.330 -9.758) 10.676 7.086 ( -0.000 -1.886 4.022) 4.442 7.171 ( -0.000 -4.099 -4.047) 5.760 7.409 ( 0.000 0.295 1.075) 1.114 7.433 ( 0.000 0.291 -1.248) 1.281 7.590 ( 0.000 5.466 4.940) 7.368 7.719 ( 0.000 2.056 -7.578) 7.851 8.284 ( 0.000 0.346 1.598) 1.635 8.325 ( 0.000 2.132 -1.959) 2.895 8.471 ( -0.000 -0.221 5.537) 5.542 8.592 ( -0.000 -1.329 -5.890) 6.038 9.445 ( -0.000 -3.520 14.262) 14.690 9.661 ( -0.000 -1.602 -7.117) 7.295 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -9.279 -0.000 -0.215) 9.282 1.542 ( -7.008 -0.000 -1.236) 7.116 1.986 ( -6.542 -0.000 2.127) 6.879 2.019 ( -2.394 -0.000 4.607) 5.192 2.053 ( -1.890 -0.000 1.249) 2.266 2.147 ( -3.835 -0.000 0.764) 3.911 2.644 ( -4.568 -0.000 9.769) 10.784 2.826 ( -8.669 -0.000 -3.218) 9.248 2.981 ( -10.007 -0.000 -1.661) 10.144 3.015 ( -5.572 -0.000 -2.800) 6.235 3.059 ( -4.629 -0.000 0.233) 4.635 3.089 ( -1.271 -0.000 -2.708) 2.992 3.324 ( -3.188 -0.000 0.144) 3.191 3.325 ( -4.255 -0.000 -0.131) 4.257 3.358 ( -13.451 -0.000 1.578) 13.544 3.381 ( -12.889 -0.000 -0.646) 12.905 3.676 ( 5.074 0.000 8.686) 10.059 3.896 ( 5.871 0.000 -12.693) 13.985 6.231 ( -0.859 -0.000 2.510) 2.653 6.284 ( 0.105 0.000 -2.695) 2.697 6.564 ( -8.166 -0.000 1.854) 8.374 6.606 ( -7.230 -0.000 -2.301) 7.587 6.813 ( -9.278 -0.000 2.970) 9.742 6.875 ( -6.287 -0.000 -3.237) 7.071 7.192 ( -4.905 -0.000 4.370) 6.569 7.216 ( -3.777 -0.000 3.091) 4.881 7.393 ( 2.453 0.000 -1.249) 2.753 7.453 ( 3.465 0.000 -6.396) 7.274 7.753 ( -1.752 -0.000 0.736) 1.900 7.778 ( -3.037 -0.000 -1.201) 3.266 8.181 ( 1.394 0.000 2.604) 2.954 8.183 ( 5.673 0.000 2.159) 6.070 8.438 ( 1.134 0.000 -1.302) 1.726 8.462 ( -2.231 -0.000 -3.219) 3.917 9.186 ( 4.214 0.000 16.843) 17.363 9.472 ( 3.179 0.000 -11.024) 11.474 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -7.474 0.200 2.379) 7.846 1.430 ( -3.485 1.988 -4.506) 6.033 1.846 ( -5.096 5.860 4.536) 8.993 1.937 ( -3.978 4.272 -4.116) 7.142 2.074 ( -0.281 -2.530 8.761) 9.123 2.123 ( 0.124 -8.758 3.285) 9.355 2.524 ( -9.728 -0.010 7.069) 12.025 2.575 ( -15.376 -0.974 3.292) 15.754 2.786 ( -10.008 0.481 -1.965) 10.211 2.835 ( -5.649 0.462 -4.050) 6.966 2.959 ( -9.405 6.862 -1.258) 11.710 3.012 ( -5.496 -1.433 -5.751) 8.083 3.103 ( -11.080 -1.444 -0.014) 11.173 3.121 ( -8.424 -3.317 -1.862) 9.243 3.319 ( 0.857 0.025 1.233) 1.502 3.343 ( 1.214 0.276 -1.007) 1.601 3.784 ( 5.692 0.519 10.138) 11.638 4.012 ( 5.783 0.962 -12.319) 13.643 6.152 ( -10.624 0.165 0.625) 10.644 6.170 ( -14.203 0.099 -1.020) 14.239 6.425 ( -4.924 -0.521 1.228) 5.101 6.434 ( -1.016 -0.718 0.083) 1.247 6.699 ( -4.245 -1.090 5.256) 6.843 6.815 ( -1.688 -1.338 -5.959) 6.336 7.110 ( -3.159 -0.160 3.742) 4.900 7.155 ( -2.346 -0.342 -0.207) 2.380 7.432 ( 0.975 0.322 2.081) 2.321 7.505 ( 0.715 0.022 -5.030) 5.081 7.708 ( -2.159 1.680 0.427) 2.769 7.728 ( -1.274 -0.943 -1.656) 2.292 8.212 ( 2.057 -0.234 5.346) 5.733 8.281 ( 4.177 0.135 -0.075) 4.180 8.442 ( 0.177 0.283 -1.112) 1.161 8.489 ( 3.315 -0.199 -4.486) 5.582 9.278 ( 4.904 -0.347 16.050) 16.786 9.543 ( 3.815 -0.195 -9.717) 10.441 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -2.572 0.590 5.832) 6.401 1.389 ( 1.388 5.875 -6.830) 9.115 1.724 ( -4.053 6.605 5.073) 9.262 1.829 ( -3.135 7.615 -3.961) 9.138 2.070 ( -2.678 -4.566 11.687) 12.830 2.184 ( 0.328 -4.023 -1.058) 4.173 2.284 ( -10.063 0.464 3.421) 10.639 2.317 ( -10.407 -1.625 1.113) 10.592 2.656 ( -6.738 6.722 9.809) 13.668 2.727 ( -2.493 -0.517 1.915) 3.186 2.766 ( -3.875 0.677 -2.075) 4.448 2.907 ( -7.368 -6.500 -1.949) 10.017 2.958 ( -3.692 0.686 -9.439) 10.158 3.032 ( -3.733 -4.840 -7.656) 9.797 3.342 ( 1.125 0.203 1.231) 1.680 3.366 ( 1.067 0.420 -1.100) 1.589 3.877 ( 3.819 0.459 10.061) 10.771 4.097 ( 3.566 2.026 -11.731) 12.427 5.876 ( -12.929 0.254 -0.166) 12.932 5.877 ( -12.980 0.201 -0.267) 12.984 6.433 ( 2.952 -1.052 3.711) 4.857 6.468 ( 2.087 -0.651 -0.828) 2.338 6.623 ( -4.574 -2.213 7.797) 9.307 6.797 ( -1.506 -3.066 -8.520) 9.180 7.074 ( -0.904 -0.414 3.699) 3.830 7.133 ( -0.408 -0.876 -1.797) 2.041 7.426 ( -0.934 0.198 1.992) 2.209 7.472 ( -2.932 0.036 -2.398) 3.788 7.678 ( 0.035 3.632 1.627) 3.980 7.729 ( 0.695 -0.109 -3.560) 3.629 8.258 ( 2.002 -0.550 4.024) 4.528 8.336 ( 1.677 0.684 -2.287) 2.917 8.457 ( 1.142 0.289 2.423) 2.694 8.549 ( 2.295 -0.610 -5.517) 6.007 9.368 ( 3.533 -1.027 15.342) 15.777 9.612 ( 2.731 -0.570 -8.446) 8.895 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 1.123 7.025) 7.114 1.384 ( 0.000 7.461 -7.644) 10.681 1.612 ( 0.000 11.061 7.168) 13.181 1.758 ( 0.000 7.028 -7.043) 9.950 2.025 ( -0.000 -0.278 12.385) 12.388 2.157 ( 0.000 3.561 -2.589) 4.403 2.205 ( -0.000 -2.145 2.658) 3.415 2.254 ( -0.000 -3.789 -2.105) 4.335 2.523 ( 0.000 6.728 18.766) 19.936 2.730 ( -0.000 -1.795 0.965) 2.038 2.752 ( -0.000 -2.279 -1.104) 2.532 2.859 ( -0.000 -8.778 1.991) 9.001 2.925 ( 0.000 0.133 -14.679) 14.680 3.026 ( -0.000 -5.499 -9.476) 10.956 3.353 ( 0.000 0.202 1.151) 1.169 3.375 ( 0.000 0.337 -1.046) 1.099 3.915 ( 0.000 0.366 9.164) 9.171 4.119 ( 0.000 2.996 -11.020) 11.420 5.730 ( 0.000 0.578 0.601) 0.834 5.741 ( 0.000 0.871 -0.459) 0.985 6.491 ( -0.000 -0.833 0.156) 0.848 6.495 ( -0.000 -0.813 -0.271) 0.857 6.573 ( -0.000 -3.718 12.801) 13.330 6.801 ( -0.000 -4.350 -9.976) 10.883 7.071 ( -0.000 -0.814 3.844) 3.929 7.139 ( -0.000 -1.766 -2.591) 3.136 7.412 ( 0.000 0.212 1.073) 1.093 7.436 ( 0.000 0.200 -1.240) 1.256 7.653 ( 0.000 5.119 3.036) 5.951 7.736 ( 0.000 0.840 -5.149) 5.217 8.282 ( -0.000 -0.505 2.748) 2.794 8.345 ( 0.000 1.275 -2.568) 2.867 8.470 ( 0.000 0.043 4.160) 4.160 8.578 ( -0.000 -1.026 -5.757) 5.848 9.414 ( -0.000 -1.892 14.912) 15.031 9.646 ( -0.000 -1.002 -7.755) 7.820 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -2.633 -0.000 7.101) 7.574 1.423 ( 1.553 0.000 -8.930) 9.064 1.767 ( -4.202 -0.000 5.572) 6.979 1.881 ( -3.789 -0.000 -5.703) 6.847 2.039 ( -1.783 -0.000 13.911) 14.025 2.151 ( 3.334 0.000 -0.205) 3.340 2.293 ( -10.787 -0.000 2.543) 11.082 2.302 ( -10.252 -0.000 2.312) 10.509 2.694 ( -0.855 -0.000 2.193) 2.353 2.731 ( -5.572 -0.000 4.850) 7.387 2.790 ( -8.351 -0.000 0.762) 8.385 2.845 ( -7.734 -0.000 0.128) 7.735 2.978 ( -4.039 -0.000 -9.602) 10.416 2.989 ( -3.142 -0.000 -9.193) 9.715 3.343 ( 1.106 0.000 1.287) 1.697 3.368 ( 1.005 0.000 -1.170) 1.542 3.879 ( 3.665 0.000 10.612) 11.227 4.109 ( 3.577 0.000 -12.100) 12.618 5.877 ( -13.230 -0.000 -0.124) 13.231 5.879 ( -12.465 -0.000 -0.256) 12.468 6.426 ( 3.010 0.000 3.986) 4.994 6.464 ( 2.136 0.000 -0.844) 2.297 6.611 ( -4.601 -0.000 7.260) 8.595 6.778 ( -1.616 -0.000 -8.454) 8.607 7.071 ( -0.933 -0.000 3.719) 3.835 7.128 ( -0.492 -0.000 -1.541) 1.617 7.428 ( -1.000 -0.000 1.933) 2.176 7.472 ( -2.893 -0.000 -2.379) 3.746 7.705 ( 0.661 0.000 0.179) 0.685 7.723 ( 0.554 0.000 -1.902) 1.981 8.254 ( 1.986 0.000 4.470) 4.891 8.340 ( 1.779 0.000 -2.315) 2.919 8.459 ( 1.049 0.000 1.858) 2.134 8.546 ( 2.216 0.000 -5.474) 5.906 9.362 ( 3.445 0.000 15.414) 15.794 9.609 ( 2.679 0.000 -8.566) 8.976 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 6.24e-05 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 0.135 9.492) 9.493 1.445 ( 0.000 2.866 -10.688) 11.066 1.706 ( 0.000 4.494 5.583) 7.167 1.817 ( 0.000 2.847 -5.258) 5.980 2.018 ( -0.000 -0.489 16.226) 16.234 2.182 ( 0.000 0.920 -2.548) 2.709 2.186 ( -0.000 -0.869 1.579) 1.803 2.216 ( -0.000 -2.161 -1.264) 2.504 2.620 ( 0.000 8.763 13.057) 15.725 2.717 ( -0.000 -0.504 0.580) 0.768 2.732 ( -0.000 -0.992 -0.842) 1.301 2.756 ( -0.000 -8.476 4.851) 9.767 2.934 ( 0.000 1.339 -13.438) 13.504 2.972 ( -0.000 -3.531 -11.111) 11.659 3.354 ( 0.000 0.074 1.168) 1.171 3.378 ( 0.000 0.164 -1.166) 1.177 3.917 ( 0.000 0.058 10.468) 10.468 4.142 ( 0.000 1.026 -11.862) 11.907 5.735 ( 0.000 0.216 0.710) 0.743 5.748 ( 0.000 0.323 -0.578) 0.662 6.484 ( -0.000 -0.308 0.167) 0.350 6.489 ( -0.000 -0.300 -0.277) 0.408 6.543 ( -0.000 -1.361 12.195) 12.270 6.764 ( -0.000 -1.714 -9.870) 10.018 7.065 ( -0.000 -0.230 3.807) 3.814 7.127 ( -0.000 -0.528 -1.989) 2.058 7.414 ( 0.000 0.077 1.069) 1.072 7.438 ( 0.000 0.071 -1.233) 1.235 7.702 ( 0.000 3.226 0.885) 3.345 7.735 ( -0.000 -0.948 -2.506) 2.680 8.276 ( -0.000 -0.341 3.581) 3.598 8.355 ( 0.000 0.422 -2.821) 2.852 8.471 ( 0.000 0.082 3.143) 3.144 8.569 ( -0.000 -0.405 -5.701) 5.715 9.400 ( -0.000 -0.585 15.110) 15.121 9.638 ( -0.000 -0.336 -8.043) 8.050 =================== 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 3/30420 10.0 702.880 1139.253 288.209 0.000 0.000 0.000 3/30420 20.0 137.212 122.521 65.743 0.000 0.000 0.000 3/30420 30.0 67.584 44.891 32.472 0.000 0.000 0.000 3/30420 40.0 47.425 26.574 23.013 0.000 0.000 0.000 3/30420 50.0 37.020 18.931 18.214 0.000 0.000 0.000 3/30420 60.0 30.151 14.675 15.008 0.000 0.000 0.000 3/30420 70.0 25.208 11.937 12.668 0.000 0.000 0.000 3/30420 80.0 21.522 10.032 10.903 0.000 0.000 0.000 3/30420 90.0 18.707 8.637 9.544 0.000 0.000 0.000 3/30420 100.0 16.509 7.577 8.477 0.000 0.000 0.000 3/30420 110.0 14.760 6.747 7.624 0.000 0.000 0.000 3/30420 120.0 13.341 6.082 6.929 0.000 0.000 0.000 3/30420 130.0 12.171 5.538 6.353 0.000 0.000 0.000 3/30420 140.0 11.191 5.084 5.868 0.000 0.000 0.000 3/30420 150.0 10.359 4.701 5.454 0.000 0.000 0.000 3/30420 160.0 9.645 4.372 5.097 0.000 0.000 0.000 3/30420 170.0 9.024 4.088 4.785 0.000 0.000 0.000 3/30420 180.0 8.481 3.840 4.511 0.000 0.000 0.000 3/30420 190.0 8.001 3.620 4.267 0.000 0.000 0.000 3/30420 200.0 7.573 3.425 4.049 0.000 0.000 0.000 3/30420 210.0 7.190 3.251 3.853 0.000 0.000 0.000 3/30420 220.0 6.845 3.093 3.676 0.000 0.000 0.000 3/30420 230.0 6.533 2.951 3.515 0.000 0.000 0.000 3/30420 240.0 6.248 2.822 3.367 0.000 0.000 0.000 3/30420 250.0 5.987 2.703 3.232 0.000 0.000 0.000 3/30420 260.0 5.748 2.595 3.107 0.000 0.000 0.000 3/30420 270.0 5.528 2.495 2.992 0.000 0.000 0.000 3/30420 280.0 5.324 2.402 2.885 0.000 0.000 0.000 3/30420 290.0 5.136 2.316 2.786 0.000 0.000 0.000 3/30420 300.0 4.960 2.237 2.694 0.000 0.000 0.000 3/30420 310.0 4.796 2.162 2.607 0.000 0.000 0.000 3/30420 320.0 4.643 2.093 2.526 0.000 0.000 0.000 3/30420 330.0 4.499 2.028 2.450 0.000 0.000 0.000 3/30420 340.0 4.364 1.967 2.378 0.000 0.000 0.000 3/30420 350.0 4.238 1.909 2.311 0.000 0.000 0.000 3/30420 360.0 4.118 1.855 2.247 0.000 0.000 0.000 3/30420 370.0 4.005 1.804 2.187 0.000 0.000 0.000 3/30420 380.0 3.898 1.756 2.130 0.000 0.000 0.000 3/30420 390.0 3.797 1.710 2.075 0.000 0.000 0.000 3/30420 400.0 3.701 1.667 2.024 0.000 0.000 0.000 3/30420 410.0 3.610 1.625 1.975 0.000 0.000 0.000 3/30420 420.0 3.523 1.586 1.928 0.000 0.000 0.000 3/30420 430.0 3.441 1.549 1.884 0.000 0.000 0.000 3/30420 440.0 3.362 1.513 1.841 0.000 0.000 0.000 3/30420 450.0 3.287 1.479 1.801 0.000 0.000 0.000 3/30420 460.0 3.215 1.447 1.762 0.000 0.000 0.000 3/30420 470.0 3.146 1.416 1.725 0.000 0.000 0.000 3/30420 480.0 3.080 1.386 1.689 0.000 0.000 0.000 3/30420 490.0 3.017 1.357 1.655 0.000 0.000 0.000 3/30420 500.0 2.956 1.330 1.622 0.000 0.000 0.000 3/30420 510.0 2.898 1.304 1.591 0.000 0.000 0.000 3/30420 520.0 2.842 1.278 1.561 0.000 0.000 0.000 3/30420 530.0 2.788 1.254 1.531 0.000 0.000 0.000 3/30420 540.0 2.737 1.231 1.503 0.000 0.000 0.000 3/30420 550.0 2.687 1.208 1.476 0.000 0.000 0.000 3/30420 560.0 2.639 1.187 1.450 0.000 0.000 0.000 3/30420 570.0 2.592 1.166 1.425 0.000 0.000 0.000 3/30420 580.0 2.547 1.145 1.401 0.000 0.000 0.000 3/30420 590.0 2.504 1.126 1.377 0.000 0.000 0.000 3/30420 600.0 2.462 1.107 1.354 0.000 0.000 0.000 3/30420 610.0 2.422 1.089 1.332 0.000 0.000 0.000 3/30420 620.0 2.383 1.071 1.311 0.000 0.000 0.000 3/30420 630.0 2.345 1.054 1.290 0.000 0.000 0.000 3/30420 640.0 2.308 1.038 1.270 0.000 0.000 0.000 3/30420 650.0 2.273 1.022 1.251 0.000 0.000 0.000 3/30420 660.0 2.239 1.006 1.232 0.000 0.000 0.000 3/30420 670.0 2.205 0.991 1.214 0.000 0.000 0.000 3/30420 680.0 2.173 0.976 1.196 0.000 0.000 0.000 3/30420 690.0 2.141 0.962 1.179 0.000 0.000 0.000 3/30420 700.0 2.111 0.949 1.162 0.000 0.000 0.000 3/30420 710.0 2.081 0.935 1.146 0.000 0.000 0.000 3/30420 720.0 2.052 0.922 1.130 0.000 0.000 0.000 3/30420 730.0 2.024 0.909 1.115 0.000 0.000 0.000 3/30420 740.0 1.997 0.897 1.100 0.000 0.000 0.000 3/30420 750.0 1.970 0.885 1.086 0.000 0.000 0.000 3/30420 760.0 1.944 0.874 1.071 0.000 0.000 0.000 3/30420 770.0 1.919 0.862 1.058 0.000 0.000 0.000 3/30420 780.0 1.894 0.851 1.044 0.000 0.000 0.000 3/30420 790.0 1.870 0.840 1.031 0.000 0.000 0.000 3/30420 800.0 1.847 0.830 1.018 0.000 0.000 0.000 3/30420 810.0 1.824 0.820 1.006 0.000 0.000 0.000 3/30420 820.0 1.802 0.810 0.994 0.000 0.000 0.000 3/30420 830.0 1.780 0.800 0.982 0.000 0.000 0.000 3/30420 840.0 1.759 0.790 0.970 0.000 0.000 0.000 3/30420 850.0 1.739 0.781 0.959 0.000 0.000 0.000 3/30420 860.0 1.718 0.772 0.948 0.000 0.000 0.000 3/30420 870.0 1.699 0.763 0.937 0.000 0.000 0.000 3/30420 880.0 1.680 0.754 0.926 0.000 0.000 0.000 3/30420 890.0 1.661 0.746 0.916 0.000 0.000 0.000 3/30420 900.0 1.642 0.738 0.906 0.000 0.000 0.000 3/30420 910.0 1.624 0.729 0.896 0.000 0.000 0.000 3/30420 920.0 1.607 0.722 0.886 0.000 0.000 0.000 3/30420 930.0 1.589 0.714 0.877 0.000 0.000 0.000 3/30420 940.0 1.573 0.706 0.868 0.000 0.000 0.000 3/30420 950.0 1.556 0.699 0.859 0.000 0.000 0.000 3/30420 960.0 1.540 0.691 0.850 0.000 0.000 0.000 3/30420 970.0 1.524 0.684 0.841 0.000 0.000 0.000 3/30420 980.0 1.509 0.677 0.832 0.000 0.000 0.000 3/30420 990.0 1.493 0.671 0.824 0.000 0.000 0.000 3/30420 1000.0 1.478 0.664 0.816 0.000 0.000 0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:01:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|