----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:35:49]------------------------- 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: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.587768670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.712841660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.539440860000000 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.54526268239212 39.098 2 K 0.50000000000000 0.50000000000000 0.45473731760788 39.098 *3 K 0.50000000000000 0.75057093996570 0.81998097316253 39.098 4 K 0.50000000000000 0.24942906003430 0.81998097316253 39.098 5 K 0.00000000000000 0.74942906003430 0.18001902683747 39.098 6 K 0.00000000000000 0.25057093996570 0.18001902683747 39.098 *7 Sn 0.50000000000000 0.87949542417156 0.32311029637532 118.710 8 Sn 0.50000000000000 0.12050457582844 0.32311029637532 118.710 *9 Sn 0.25326761103460 0.00000000000000 0.03144734783967 118.710 10 Sn 0.74673238896540 0.00000000000000 0.03144734783967 118.710 11 Sn 0.75326761103460 0.50000000000000 0.96855265216033 118.710 12 Sn 0.24673238896540 0.50000000000000 0.96855265216033 118.710 13 Sn 0.00000000000000 0.37949542417156 0.67688970362468 118.710 14 Sn 0.00000000000000 0.62050457582844 0.67688970362468 118.710 *15 Au 0.50000000000000 0.00000000000000 0.68239528005096 196.967 16 Au 0.00000000000000 0.50000000000000 0.31760471994904 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.587768670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.712841660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.539440860000000 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.54526268239212 39.098 > 1 2 K 0.50000000000000 0.50000000000000 0.45473731760788 39.098 > 2 *3 K 0.50000000000000 0.75057093996570 0.81998097316253 39.098 > 3 4 K 0.50000000000000 0.24942906003430 0.81998097316253 39.098 > 4 5 K 0.00000000000000 0.74942906003430 0.18001902683747 39.098 > 5 6 K 0.00000000000000 0.25057093996570 0.18001902683747 39.098 > 6 *7 Sn 0.50000000000000 0.87949542417156 0.32311029637532 118.710 > 7 8 Sn 0.50000000000000 0.12050457582844 0.32311029637532 118.710 > 8 *9 Sn 0.25326761103460 0.00000000000000 0.03144734783967 118.710 > 9 10 Sn 0.74673238896540 0.00000000000000 0.03144734783967 118.710 > 10 11 Sn 0.75326761103460 0.50000000000000 0.96855265216033 118.710 > 11 12 Sn 0.24673238896540 0.50000000000000 0.96855265216033 118.710 > 12 13 Sn 0.00000000000000 0.37949542417156 0.67688970362468 118.710 > 13 14 Sn 0.00000000000000 0.62050457582844 0.67688970362468 118.710 > 14 *15 Au 0.50000000000000 0.00000000000000 0.68239528005096 196.967 > 15 16 Au 0.00000000000000 0.50000000000000 0.31760471994904 196.967 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.175537340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 25.425683320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.078881720000000 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.27263134119606 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.27263134119606 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.27263134119606 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.27263134119606 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.77263134119606 39.098 > 1 6 K 0.50000000000000 0.00000000000000 0.77263134119606 39.098 > 1 7 K 0.00000000000000 0.50000000000000 0.77263134119606 39.098 > 1 8 K 0.50000000000000 0.50000000000000 0.77263134119606 39.098 > 1 9 K 0.25000000000000 0.25000000000000 0.22736865880394 39.098 > 2 10 K 0.75000000000000 0.25000000000000 0.22736865880394 39.098 > 2 11 K 0.25000000000000 0.75000000000000 0.22736865880394 39.098 > 2 12 K 0.75000000000000 0.75000000000000 0.22736865880394 39.098 > 2 13 K 0.25000000000000 0.25000000000000 0.72736865880394 39.098 > 2 14 K 0.75000000000000 0.25000000000000 0.72736865880394 39.098 > 2 15 K 0.25000000000000 0.75000000000000 0.72736865880394 39.098 > 2 16 K 0.75000000000000 0.75000000000000 0.72736865880394 39.098 > 2 *17 K 0.25000000000000 0.37528546998285 0.40999048658127 39.098 > 3 18 K 0.75000000000000 0.37528546998285 0.40999048658127 39.098 > 3 19 K 0.25000000000000 0.87528546998285 0.40999048658127 39.098 > 3 20 K 0.75000000000000 0.87528546998285 0.40999048658127 39.098 > 3 21 K 0.25000000000000 0.37528546998285 0.90999048658127 39.098 > 3 22 K 0.75000000000000 0.37528546998285 0.90999048658127 39.098 > 3 23 K 0.25000000000000 0.87528546998285 0.90999048658127 39.098 > 3 24 K 0.75000000000000 0.87528546998285 0.90999048658127 39.098 > 3 25 K 0.25000000000000 0.12471453001715 0.40999048658127 39.098 > 4 26 K 0.75000000000000 0.12471453001715 0.40999048658127 39.098 > 4 27 K 0.25000000000000 0.62471453001715 0.40999048658127 39.098 > 4 28 K 0.75000000000000 0.62471453001715 0.40999048658127 39.098 > 4 29 K 0.25000000000000 0.12471453001715 0.90999048658127 39.098 > 4 30 K 0.75000000000000 0.12471453001715 0.90999048658127 39.098 > 4 31 K 0.25000000000000 0.62471453001715 0.90999048658127 39.098 > 4 32 K 0.75000000000000 0.62471453001715 0.90999048658127 39.098 > 4 33 K 0.00000000000000 0.37471453001715 0.09000951341873 39.098 > 5 34 K 0.50000000000000 0.37471453001715 0.09000951341873 39.098 > 5 35 K 0.00000000000000 0.87471453001715 0.09000951341873 39.098 > 5 36 K 0.50000000000000 0.87471453001715 0.09000951341873 39.098 > 5 37 K 0.00000000000000 0.37471453001715 0.59000951341873 39.098 > 5 38 K 0.50000000000000 0.37471453001715 0.59000951341873 39.098 > 5 39 K 0.00000000000000 0.87471453001715 0.59000951341873 39.098 > 5 40 K 0.50000000000000 0.87471453001715 0.59000951341873 39.098 > 5 41 K 0.00000000000000 0.12528546998285 0.09000951341873 39.098 > 6 42 K 0.50000000000000 0.12528546998285 0.09000951341873 39.098 > 6 43 K 0.00000000000000 0.62528546998285 0.09000951341873 39.098 > 6 44 K 0.50000000000000 0.62528546998285 0.09000951341873 39.098 > 6 45 K 0.00000000000000 0.12528546998285 0.59000951341873 39.098 > 6 46 K 0.50000000000000 0.12528546998285 0.59000951341873 39.098 > 6 47 K 0.00000000000000 0.62528546998285 0.59000951341873 39.098 > 6 48 K 0.50000000000000 0.62528546998285 0.59000951341873 39.098 > 6 *49 Sn 0.25000000000000 0.43974771208578 0.16155514818766 118.710 > 7 50 Sn 0.75000000000000 0.43974771208578 0.16155514818766 118.710 > 7 51 Sn 0.25000000000000 0.93974771208578 0.16155514818766 118.710 > 7 52 Sn 0.75000000000000 0.93974771208578 0.16155514818766 118.710 > 7 53 Sn 0.25000000000000 0.43974771208578 0.66155514818766 118.710 > 7 54 Sn 0.75000000000000 0.43974771208578 0.66155514818766 118.710 > 7 55 Sn 0.25000000000000 0.93974771208578 0.66155514818766 118.710 > 7 56 Sn 0.75000000000000 0.93974771208578 0.66155514818766 118.710 > 7 57 Sn 0.25000000000000 0.06025228791422 0.16155514818766 118.710 > 8 58 Sn 0.75000000000000 0.06025228791422 0.16155514818766 118.710 > 8 59 Sn 0.25000000000000 0.56025228791422 0.16155514818766 118.710 > 8 60 Sn 0.75000000000000 0.56025228791422 0.16155514818766 118.710 > 8 61 Sn 0.25000000000000 0.06025228791422 0.66155514818766 118.710 > 8 62 Sn 0.75000000000000 0.06025228791422 0.66155514818766 118.710 > 8 63 Sn 0.25000000000000 0.56025228791422 0.66155514818766 118.710 > 8 64 Sn 0.75000000000000 0.56025228791422 0.66155514818766 118.710 > 8 *65 Sn 0.12663380551730 0.00000000000000 0.01572367391983 118.710 > 9 66 Sn 0.62663380551730 0.00000000000000 0.01572367391983 118.710 > 9 67 Sn 0.12663380551730 0.50000000000000 0.01572367391983 118.710 > 9 68 Sn 0.62663380551730 0.50000000000000 0.01572367391983 118.710 > 9 69 Sn 0.12663380551730 0.00000000000000 0.51572367391983 118.710 > 9 70 Sn 0.62663380551730 0.00000000000000 0.51572367391983 118.710 > 9 71 Sn 0.12663380551730 0.50000000000000 0.51572367391983 118.710 > 9 72 Sn 0.62663380551730 0.50000000000000 0.51572367391983 118.710 > 9 73 Sn 0.37336619448270 0.00000000000000 0.01572367391983 118.710 > 10 74 Sn 0.87336619448270 0.00000000000000 0.01572367391983 118.710 > 10 75 Sn 0.37336619448270 0.50000000000000 0.01572367391983 118.710 > 10 76 Sn 0.87336619448270 0.50000000000000 0.01572367391983 118.710 > 10 77 Sn 0.37336619448270 0.00000000000000 0.51572367391983 118.710 > 10 78 Sn 0.87336619448270 0.00000000000000 0.51572367391983 118.710 > 10 79 Sn 0.37336619448270 0.50000000000000 0.51572367391983 118.710 > 10 80 Sn 0.87336619448270 0.50000000000000 0.51572367391983 118.710 > 10 81 Sn 0.37663380551730 0.25000000000000 0.48427632608017 118.710 > 11 82 Sn 0.87663380551730 0.25000000000000 0.48427632608017 118.710 > 11 83 Sn 0.37663380551730 0.75000000000000 0.48427632608017 118.710 > 11 84 Sn 0.87663380551730 0.75000000000000 0.48427632608017 118.710 > 11 85 Sn 0.37663380551730 0.25000000000000 0.98427632608017 118.710 > 11 86 Sn 0.87663380551730 0.25000000000000 0.98427632608017 118.710 > 11 87 Sn 0.37663380551730 0.75000000000000 0.98427632608017 118.710 > 11 88 Sn 0.87663380551730 0.75000000000000 0.98427632608017 118.710 > 11 89 Sn 0.12336619448270 0.25000000000000 0.48427632608017 118.710 > 12 90 Sn 0.62336619448270 0.25000000000000 0.48427632608017 118.710 > 12 91 Sn 0.12336619448270 0.75000000000000 0.48427632608017 118.710 > 12 92 Sn 0.62336619448270 0.75000000000000 0.48427632608017 118.710 > 12 93 Sn 0.12336619448270 0.25000000000000 0.98427632608017 118.710 > 12 94 Sn 0.62336619448270 0.25000000000000 0.98427632608017 118.710 > 12 95 Sn 0.12336619448270 0.75000000000000 0.98427632608017 118.710 > 12 96 Sn 0.62336619448270 0.75000000000000 0.98427632608017 118.710 > 12 97 Sn 0.00000000000000 0.18974771208578 0.33844485181234 118.710 > 13 98 Sn 0.50000000000000 0.18974771208578 0.33844485181234 118.710 > 13 99 Sn 0.00000000000000 0.68974771208578 0.33844485181234 118.710 > 13 100 Sn 0.50000000000000 0.68974771208578 0.33844485181234 118.710 > 13 101 Sn 0.00000000000000 0.18974771208578 0.83844485181234 118.710 > 13 102 Sn 0.50000000000000 0.18974771208578 0.83844485181234 118.710 > 13 103 Sn 0.00000000000000 0.68974771208578 0.83844485181234 118.710 > 13 104 Sn 0.50000000000000 0.68974771208578 0.83844485181234 118.710 > 13 105 Sn 0.00000000000000 0.31025228791422 0.33844485181234 118.710 > 14 106 Sn 0.50000000000000 0.31025228791422 0.33844485181234 118.710 > 14 107 Sn 0.00000000000000 0.81025228791422 0.33844485181234 118.710 > 14 108 Sn 0.50000000000000 0.81025228791422 0.33844485181234 118.710 > 14 109 Sn 0.00000000000000 0.31025228791422 0.83844485181234 118.710 > 14 110 Sn 0.50000000000000 0.31025228791422 0.83844485181234 118.710 > 14 111 Sn 0.00000000000000 0.81025228791422 0.83844485181234 118.710 > 14 112 Sn 0.50000000000000 0.81025228791422 0.83844485181234 118.710 > 14 *113 Au 0.25000000000000 0.00000000000000 0.34119764002548 196.967 > 15 114 Au 0.75000000000000 0.00000000000000 0.34119764002548 196.967 > 15 115 Au 0.25000000000000 0.50000000000000 0.34119764002548 196.967 > 15 116 Au 0.75000000000000 0.50000000000000 0.34119764002548 196.967 > 15 117 Au 0.25000000000000 0.00000000000000 0.84119764002548 196.967 > 15 118 Au 0.75000000000000 0.00000000000000 0.84119764002548 196.967 > 15 119 Au 0.25000000000000 0.50000000000000 0.84119764002548 196.967 > 15 120 Au 0.75000000000000 0.50000000000000 0.84119764002548 196.967 > 15 121 Au 0.00000000000000 0.25000000000000 0.15880235997452 196.967 > 16 122 Au 0.50000000000000 0.25000000000000 0.15880235997452 196.967 > 16 123 Au 0.00000000000000 0.75000000000000 0.15880235997452 196.967 > 16 124 Au 0.50000000000000 0.75000000000000 0.15880235997452 196.967 > 16 125 Au 0.00000000000000 0.25000000000000 0.65880235997452 196.967 > 16 126 Au 0.50000000000000 0.25000000000000 0.65880235997452 196.967 > 16 127 Au 0.00000000000000 0.75000000000000 0.65880235997452 196.967 > 16 128 Au 0.50000000000000 0.75000000000000 0.65880235997452 196.967 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3979926 0.0000000 0.0000000 0.0000000 8.0964208 0.0000000 0.0000000 0.0000000 30.5236197 -------------------------- Born effective charges -------------------------- 1 K 1.0663959 0.0000000 0.0000000 0.0000000 0.8478854 0.0000000 0.0000000 0.0000000 1.4673240 2 K 1.0663959 0.0000000 0.0000000 0.0000000 0.8478854 0.0000000 0.0000000 0.0000000 1.4673240 3 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 0.0944556 0.0000000 0.3442715 0.8965421 4 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 -0.0944556 0.0000000 -0.3442715 0.8965421 5 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 0.0944556 0.0000000 0.3442715 0.8965421 6 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 -0.0944556 0.0000000 -0.3442715 0.8965421 7 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 -0.2574984 0.0000000 0.3697862 -0.5192284 8 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 0.2574984 0.0000000 -0.3697862 -0.5192284 9 Sn 1.2120332 0.0000000 -0.7651952 0.0000000 -0.5909591 0.0000000 -1.6062339 0.0000000 -2.5073278 10 Sn 1.2120332 0.0000000 0.7651952 0.0000000 -0.5909591 0.0000000 1.6062339 0.0000000 -2.5073278 11 Sn 1.2120332 0.0000000 0.7651952 0.0000000 -0.5909591 0.0000000 1.6062339 0.0000000 -2.5073278 12 Sn 1.2120332 0.0000000 -0.7651952 0.0000000 -0.5909591 0.0000000 -1.6062339 0.0000000 -2.5073278 13 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 0.2574984 0.0000000 -0.3697862 -0.5192284 14 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 -0.2574984 0.0000000 0.3697862 -0.5192284 15 Au -1.1471788 0.0000000 0.0000000 0.0000000 -0.8488788 0.0000000 0.0000000 0.0000000 2.7927041 16 Au -1.1471788 0.0000000 0.0000000 0.0000000 -0.8488788 0.0000000 0.0000000 0.0000000 2.7927041 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1326 Number of blocks in projector: 1326 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: 292 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1326, 1305), data: False |-- (156, 156), data: True |-- (212, 210), data: True |-- (222, 217), data: True |-- (222, 217), data: True |-- (222, 217), data: True |-- (292, 288), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.850 Solver_block: 200 / 240 - Time: 1.873 Solver_block: 240 / 240 - Time: 0.819 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.571 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1326 Number of blocks in projector: 1326 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: 292 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1326, 1305), data: False |-- (156, 156), data: True |-- (212, 210), data: True |-- (222, 217), data: True |-- (222, 217), data: True |-- (222, 217), data: True |-- (292, 288), 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 04:36:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:36:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.587768670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.712841660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.539440860000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.54526268239212 39.098 2 K 0.50000000000000 0.50000000000000 0.45473731760788 39.098 3 K 0.50000000000000 0.75057093996570 0.81998097316253 39.098 4 K 0.50000000000000 0.24942906003430 0.81998097316253 39.098 5 K 0.00000000000000 0.74942906003430 0.18001902683747 39.098 6 K 0.00000000000000 0.25057093996570 0.18001902683747 39.098 7 Sn 0.50000000000000 0.87949542417156 0.32311029637532 118.710 8 Sn 0.50000000000000 0.12050457582844 0.32311029637532 118.710 9 Sn 0.25326761103460 0.00000000000000 0.03144734783967 118.710 10 Sn 0.74673238896540 0.00000000000000 0.03144734783967 118.710 11 Sn 0.75326761103460 0.50000000000000 0.96855265216033 118.710 12 Sn 0.24673238896540 0.50000000000000 0.96855265216033 118.710 13 Sn 0.00000000000000 0.37949542417156 0.67688970362468 118.710 14 Sn 0.00000000000000 0.62050457582844 0.67688970362468 118.710 15 Au 0.50000000000000 0.00000000000000 0.68239528005096 196.967 16 Au 0.00000000000000 0.50000000000000 0.31760471994904 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.175537340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 25.425683320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.078881720000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.27263134119606 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.27263134119606 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.27263134119606 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.27263134119606 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.77263134119606 39.098 > 1 6 K 0.50000000000000 0.00000000000000 0.77263134119606 39.098 > 1 7 K 0.00000000000000 0.50000000000000 0.77263134119606 39.098 > 1 8 K 0.50000000000000 0.50000000000000 0.77263134119606 39.098 > 1 9 K 0.25000000000000 0.25000000000000 0.22736865880394 39.098 > 9 10 K 0.75000000000000 0.25000000000000 0.22736865880394 39.098 > 9 11 K 0.25000000000000 0.75000000000000 0.22736865880394 39.098 > 9 12 K 0.75000000000000 0.75000000000000 0.22736865880394 39.098 > 9 13 K 0.25000000000000 0.25000000000000 0.72736865880394 39.098 > 9 14 K 0.75000000000000 0.25000000000000 0.72736865880394 39.098 > 9 15 K 0.25000000000000 0.75000000000000 0.72736865880394 39.098 > 9 16 K 0.75000000000000 0.75000000000000 0.72736865880394 39.098 > 9 17 K 0.25000000000000 0.37528546998285 0.40999048658127 39.098 > 17 18 K 0.75000000000000 0.37528546998285 0.40999048658127 39.098 > 17 19 K 0.25000000000000 0.87528546998285 0.40999048658127 39.098 > 17 20 K 0.75000000000000 0.87528546998285 0.40999048658127 39.098 > 17 21 K 0.25000000000000 0.37528546998285 0.90999048658127 39.098 > 17 22 K 0.75000000000000 0.37528546998285 0.90999048658127 39.098 > 17 23 K 0.25000000000000 0.87528546998285 0.90999048658127 39.098 > 17 24 K 0.75000000000000 0.87528546998285 0.90999048658127 39.098 > 17 25 K 0.25000000000000 0.12471453001715 0.40999048658127 39.098 > 25 26 K 0.75000000000000 0.12471453001715 0.40999048658127 39.098 > 25 27 K 0.25000000000000 0.62471453001715 0.40999048658127 39.098 > 25 28 K 0.75000000000000 0.62471453001715 0.40999048658127 39.098 > 25 29 K 0.25000000000000 0.12471453001715 0.90999048658127 39.098 > 25 30 K 0.75000000000000 0.12471453001715 0.90999048658127 39.098 > 25 31 K 0.25000000000000 0.62471453001715 0.90999048658127 39.098 > 25 32 K 0.75000000000000 0.62471453001715 0.90999048658127 39.098 > 25 33 K 0.00000000000000 0.37471453001715 0.09000951341873 39.098 > 33 34 K 0.50000000000000 0.37471453001715 0.09000951341873 39.098 > 33 35 K 0.00000000000000 0.87471453001715 0.09000951341873 39.098 > 33 36 K 0.50000000000000 0.87471453001715 0.09000951341873 39.098 > 33 37 K 0.00000000000000 0.37471453001715 0.59000951341873 39.098 > 33 38 K 0.50000000000000 0.37471453001715 0.59000951341873 39.098 > 33 39 K 0.00000000000000 0.87471453001715 0.59000951341873 39.098 > 33 40 K 0.50000000000000 0.87471453001715 0.59000951341873 39.098 > 33 41 K 0.00000000000000 0.12528546998285 0.09000951341873 39.098 > 41 42 K 0.50000000000000 0.12528546998285 0.09000951341873 39.098 > 41 43 K 0.00000000000000 0.62528546998285 0.09000951341873 39.098 > 41 44 K 0.50000000000000 0.62528546998285 0.09000951341873 39.098 > 41 45 K 0.00000000000000 0.12528546998285 0.59000951341873 39.098 > 41 46 K 0.50000000000000 0.12528546998285 0.59000951341873 39.098 > 41 47 K 0.00000000000000 0.62528546998285 0.59000951341873 39.098 > 41 48 K 0.50000000000000 0.62528546998285 0.59000951341873 39.098 > 41 49 Sn 0.25000000000000 0.43974771208578 0.16155514818766 118.710 > 49 50 Sn 0.75000000000000 0.43974771208578 0.16155514818766 118.710 > 49 51 Sn 0.25000000000000 0.93974771208578 0.16155514818766 118.710 > 49 52 Sn 0.75000000000000 0.93974771208578 0.16155514818766 118.710 > 49 53 Sn 0.25000000000000 0.43974771208578 0.66155514818766 118.710 > 49 54 Sn 0.75000000000000 0.43974771208578 0.66155514818766 118.710 > 49 55 Sn 0.25000000000000 0.93974771208578 0.66155514818766 118.710 > 49 56 Sn 0.75000000000000 0.93974771208578 0.66155514818766 118.710 > 49 57 Sn 0.25000000000000 0.06025228791422 0.16155514818766 118.710 > 57 58 Sn 0.75000000000000 0.06025228791422 0.16155514818766 118.710 > 57 59 Sn 0.25000000000000 0.56025228791422 0.16155514818766 118.710 > 57 60 Sn 0.75000000000000 0.56025228791422 0.16155514818766 118.710 > 57 61 Sn 0.25000000000000 0.06025228791422 0.66155514818766 118.710 > 57 62 Sn 0.75000000000000 0.06025228791422 0.66155514818766 118.710 > 57 63 Sn 0.25000000000000 0.56025228791422 0.66155514818766 118.710 > 57 64 Sn 0.75000000000000 0.56025228791422 0.66155514818766 118.710 > 57 65 Sn 0.12663380551730 0.00000000000000 0.01572367391983 118.710 > 65 66 Sn 0.62663380551730 0.00000000000000 0.01572367391983 118.710 > 65 67 Sn 0.12663380551730 0.50000000000000 0.01572367391983 118.710 > 65 68 Sn 0.62663380551730 0.50000000000000 0.01572367391983 118.710 > 65 69 Sn 0.12663380551730 0.00000000000000 0.51572367391983 118.710 > 65 70 Sn 0.62663380551730 0.00000000000000 0.51572367391983 118.710 > 65 71 Sn 0.12663380551730 0.50000000000000 0.51572367391983 118.710 > 65 72 Sn 0.62663380551730 0.50000000000000 0.51572367391983 118.710 > 65 73 Sn 0.37336619448270 0.00000000000000 0.01572367391983 118.710 > 73 74 Sn 0.87336619448270 0.00000000000000 0.01572367391983 118.710 > 73 75 Sn 0.37336619448270 0.50000000000000 0.01572367391983 118.710 > 73 76 Sn 0.87336619448270 0.50000000000000 0.01572367391983 118.710 > 73 77 Sn 0.37336619448270 0.00000000000000 0.51572367391983 118.710 > 73 78 Sn 0.87336619448270 0.00000000000000 0.51572367391983 118.710 > 73 79 Sn 0.37336619448270 0.50000000000000 0.51572367391983 118.710 > 73 80 Sn 0.87336619448270 0.50000000000000 0.51572367391983 118.710 > 73 81 Sn 0.37663380551730 0.25000000000000 0.48427632608017 118.710 > 81 82 Sn 0.87663380551730 0.25000000000000 0.48427632608017 118.710 > 81 83 Sn 0.37663380551730 0.75000000000000 0.48427632608017 118.710 > 81 84 Sn 0.87663380551730 0.75000000000000 0.48427632608017 118.710 > 81 85 Sn 0.37663380551730 0.25000000000000 0.98427632608017 118.710 > 81 86 Sn 0.87663380551730 0.25000000000000 0.98427632608017 118.710 > 81 87 Sn 0.37663380551730 0.75000000000000 0.98427632608017 118.710 > 81 88 Sn 0.87663380551730 0.75000000000000 0.98427632608017 118.710 > 81 89 Sn 0.12336619448270 0.25000000000000 0.48427632608017 118.710 > 89 90 Sn 0.62336619448270 0.25000000000000 0.48427632608017 118.710 > 89 91 Sn 0.12336619448270 0.75000000000000 0.48427632608017 118.710 > 89 92 Sn 0.62336619448270 0.75000000000000 0.48427632608017 118.710 > 89 93 Sn 0.12336619448270 0.25000000000000 0.98427632608017 118.710 > 89 94 Sn 0.62336619448270 0.25000000000000 0.98427632608017 118.710 > 89 95 Sn 0.12336619448270 0.75000000000000 0.98427632608017 118.710 > 89 96 Sn 0.62336619448270 0.75000000000000 0.98427632608017 118.710 > 89 97 Sn 0.00000000000000 0.18974771208578 0.33844485181234 118.710 > 97 98 Sn 0.50000000000000 0.18974771208578 0.33844485181234 118.710 > 97 99 Sn 0.00000000000000 0.68974771208578 0.33844485181234 118.710 > 97 100 Sn 0.50000000000000 0.68974771208578 0.33844485181234 118.710 > 97 101 Sn 0.00000000000000 0.18974771208578 0.83844485181234 118.710 > 97 102 Sn 0.50000000000000 0.18974771208578 0.83844485181234 118.710 > 97 103 Sn 0.00000000000000 0.68974771208578 0.83844485181234 118.710 > 97 104 Sn 0.50000000000000 0.68974771208578 0.83844485181234 118.710 > 97 105 Sn 0.00000000000000 0.31025228791422 0.33844485181234 118.710 > 105 106 Sn 0.50000000000000 0.31025228791422 0.33844485181234 118.710 > 105 107 Sn 0.00000000000000 0.81025228791422 0.33844485181234 118.710 > 105 108 Sn 0.50000000000000 0.81025228791422 0.33844485181234 118.710 > 105 109 Sn 0.00000000000000 0.31025228791422 0.83844485181234 118.710 > 105 110 Sn 0.50000000000000 0.31025228791422 0.83844485181234 118.710 > 105 111 Sn 0.00000000000000 0.81025228791422 0.83844485181234 118.710 > 105 112 Sn 0.50000000000000 0.81025228791422 0.83844485181234 118.710 > 105 113 Au 0.25000000000000 0.00000000000000 0.34119764002548 196.967 > 113 114 Au 0.75000000000000 0.00000000000000 0.34119764002548 196.967 > 113 115 Au 0.25000000000000 0.50000000000000 0.34119764002548 196.967 > 113 116 Au 0.75000000000000 0.50000000000000 0.34119764002548 196.967 > 113 117 Au 0.25000000000000 0.00000000000000 0.84119764002548 196.967 > 113 118 Au 0.75000000000000 0.00000000000000 0.84119764002548 196.967 > 113 119 Au 0.25000000000000 0.50000000000000 0.84119764002548 196.967 > 113 120 Au 0.75000000000000 0.50000000000000 0.84119764002548 196.967 > 113 121 Au 0.00000000000000 0.25000000000000 0.15880235997452 196.967 > 121 122 Au 0.50000000000000 0.25000000000000 0.15880235997452 196.967 > 121 123 Au 0.00000000000000 0.75000000000000 0.15880235997452 196.967 > 121 124 Au 0.50000000000000 0.75000000000000 0.15880235997452 196.967 > 121 125 Au 0.00000000000000 0.25000000000000 0.65880235997452 196.967 > 121 126 Au 0.50000000000000 0.25000000000000 0.65880235997452 196.967 > 121 127 Au 0.00000000000000 0.75000000000000 0.65880235997452 196.967 > 121 128 Au 0.50000000000000 0.75000000000000 0.65880235997452 196.967 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3979926 0.0000000 0.0000000 0.0000000 8.0964208 0.0000000 0.0000000 0.0000000 30.5236197 -------------------------- Born effective charges -------------------------- 1 K 1.0663959 0.0000000 0.0000000 0.0000000 0.8478854 0.0000000 0.0000000 0.0000000 1.4673240 2 K 1.0663959 0.0000000 0.0000000 0.0000000 0.8478854 0.0000000 0.0000000 0.0000000 1.4673240 3 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 0.0944556 0.0000000 0.3442715 0.8965421 4 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 -0.0944556 0.0000000 -0.3442715 0.8965421 5 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 0.0944556 0.0000000 0.3442715 0.8965421 6 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 -0.0944556 0.0000000 -0.3442715 0.8965421 7 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 -0.2574984 0.0000000 0.3697862 -0.5192284 8 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 0.2574984 0.0000000 -0.3697862 -0.5192284 9 Sn 1.2120332 0.0000000 -0.7651952 0.0000000 -0.5909591 0.0000000 -1.6062339 0.0000000 -2.5073278 10 Sn 1.2120332 0.0000000 0.7651952 0.0000000 -0.5909591 0.0000000 1.6062339 0.0000000 -2.5073278 11 Sn 1.2120332 0.0000000 0.7651952 0.0000000 -0.5909591 0.0000000 1.6062339 0.0000000 -2.5073278 12 Sn 1.2120332 0.0000000 -0.7651952 0.0000000 -0.5909591 0.0000000 -1.6062339 0.0000000 -2.5073278 13 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 0.2574984 0.0000000 -0.3697862 -0.5192284 14 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 -0.2574984 0.0000000 0.3697862 -0.5192284 15 Au -1.1471788 0.0000000 0.0000000 0.0000000 -0.8488788 0.0000000 0.0000000 0.0000000 2.7927041 16 Au -1.1471788 0.0000000 0.0000000 0.0000000 -0.8488788 0.0000000 0.0000000 0.0000000 2.7927041 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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: 0.00000032 (xxz) 0.00000032 (xxz) 0.00000032 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (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 04:36:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:36:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.587768670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.712841660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.539440860000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.54526268239212 39.098 2 K 0.50000000000000 0.50000000000000 0.45473731760788 39.098 3 K 0.50000000000000 0.75057093996570 0.81998097316253 39.098 4 K 0.50000000000000 0.24942906003430 0.81998097316253 39.098 5 K 0.00000000000000 0.74942906003430 0.18001902683747 39.098 6 K 0.00000000000000 0.25057093996570 0.18001902683747 39.098 7 Sn 0.50000000000000 0.87949542417156 0.32311029637532 118.710 8 Sn 0.50000000000000 0.12050457582844 0.32311029637532 118.710 9 Sn 0.25326761103460 0.00000000000000 0.03144734783967 118.710 10 Sn 0.74673238896540 0.00000000000000 0.03144734783967 118.710 11 Sn 0.75326761103460 0.50000000000000 0.96855265216033 118.710 12 Sn 0.24673238896540 0.50000000000000 0.96855265216033 118.710 13 Sn 0.00000000000000 0.37949542417156 0.67688970362468 118.710 14 Sn 0.00000000000000 0.62050457582844 0.67688970362468 118.710 15 Au 0.50000000000000 0.00000000000000 0.68239528005096 196.967 16 Au 0.00000000000000 0.50000000000000 0.31760471994904 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.175537340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 25.425683320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.078881720000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.27263134119606 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.27263134119606 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.27263134119606 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.27263134119606 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.77263134119606 39.098 > 1 6 K 0.50000000000000 0.00000000000000 0.77263134119606 39.098 > 1 7 K 0.00000000000000 0.50000000000000 0.77263134119606 39.098 > 1 8 K 0.50000000000000 0.50000000000000 0.77263134119606 39.098 > 1 9 K 0.25000000000000 0.25000000000000 0.22736865880394 39.098 > 9 10 K 0.75000000000000 0.25000000000000 0.22736865880394 39.098 > 9 11 K 0.25000000000000 0.75000000000000 0.22736865880394 39.098 > 9 12 K 0.75000000000000 0.75000000000000 0.22736865880394 39.098 > 9 13 K 0.25000000000000 0.25000000000000 0.72736865880394 39.098 > 9 14 K 0.75000000000000 0.25000000000000 0.72736865880394 39.098 > 9 15 K 0.25000000000000 0.75000000000000 0.72736865880394 39.098 > 9 16 K 0.75000000000000 0.75000000000000 0.72736865880394 39.098 > 9 17 K 0.25000000000000 0.37528546998285 0.40999048658127 39.098 > 17 18 K 0.75000000000000 0.37528546998285 0.40999048658127 39.098 > 17 19 K 0.25000000000000 0.87528546998285 0.40999048658127 39.098 > 17 20 K 0.75000000000000 0.87528546998285 0.40999048658127 39.098 > 17 21 K 0.25000000000000 0.37528546998285 0.90999048658127 39.098 > 17 22 K 0.75000000000000 0.37528546998285 0.90999048658127 39.098 > 17 23 K 0.25000000000000 0.87528546998285 0.90999048658127 39.098 > 17 24 K 0.75000000000000 0.87528546998285 0.90999048658127 39.098 > 17 25 K 0.25000000000000 0.12471453001715 0.40999048658127 39.098 > 25 26 K 0.75000000000000 0.12471453001715 0.40999048658127 39.098 > 25 27 K 0.25000000000000 0.62471453001715 0.40999048658127 39.098 > 25 28 K 0.75000000000000 0.62471453001715 0.40999048658127 39.098 > 25 29 K 0.25000000000000 0.12471453001715 0.90999048658127 39.098 > 25 30 K 0.75000000000000 0.12471453001715 0.90999048658127 39.098 > 25 31 K 0.25000000000000 0.62471453001715 0.90999048658127 39.098 > 25 32 K 0.75000000000000 0.62471453001715 0.90999048658127 39.098 > 25 33 K 0.00000000000000 0.37471453001715 0.09000951341873 39.098 > 33 34 K 0.50000000000000 0.37471453001715 0.09000951341873 39.098 > 33 35 K 0.00000000000000 0.87471453001715 0.09000951341873 39.098 > 33 36 K 0.50000000000000 0.87471453001715 0.09000951341873 39.098 > 33 37 K 0.00000000000000 0.37471453001715 0.59000951341873 39.098 > 33 38 K 0.50000000000000 0.37471453001715 0.59000951341873 39.098 > 33 39 K 0.00000000000000 0.87471453001715 0.59000951341873 39.098 > 33 40 K 0.50000000000000 0.87471453001715 0.59000951341873 39.098 > 33 41 K 0.00000000000000 0.12528546998285 0.09000951341873 39.098 > 41 42 K 0.50000000000000 0.12528546998285 0.09000951341873 39.098 > 41 43 K 0.00000000000000 0.62528546998285 0.09000951341873 39.098 > 41 44 K 0.50000000000000 0.62528546998285 0.09000951341873 39.098 > 41 45 K 0.00000000000000 0.12528546998285 0.59000951341873 39.098 > 41 46 K 0.50000000000000 0.12528546998285 0.59000951341873 39.098 > 41 47 K 0.00000000000000 0.62528546998285 0.59000951341873 39.098 > 41 48 K 0.50000000000000 0.62528546998285 0.59000951341873 39.098 > 41 49 Sn 0.25000000000000 0.43974771208578 0.16155514818766 118.710 > 49 50 Sn 0.75000000000000 0.43974771208578 0.16155514818766 118.710 > 49 51 Sn 0.25000000000000 0.93974771208578 0.16155514818766 118.710 > 49 52 Sn 0.75000000000000 0.93974771208578 0.16155514818766 118.710 > 49 53 Sn 0.25000000000000 0.43974771208578 0.66155514818766 118.710 > 49 54 Sn 0.75000000000000 0.43974771208578 0.66155514818766 118.710 > 49 55 Sn 0.25000000000000 0.93974771208578 0.66155514818766 118.710 > 49 56 Sn 0.75000000000000 0.93974771208578 0.66155514818766 118.710 > 49 57 Sn 0.25000000000000 0.06025228791422 0.16155514818766 118.710 > 57 58 Sn 0.75000000000000 0.06025228791422 0.16155514818766 118.710 > 57 59 Sn 0.25000000000000 0.56025228791422 0.16155514818766 118.710 > 57 60 Sn 0.75000000000000 0.56025228791422 0.16155514818766 118.710 > 57 61 Sn 0.25000000000000 0.06025228791422 0.66155514818766 118.710 > 57 62 Sn 0.75000000000000 0.06025228791422 0.66155514818766 118.710 > 57 63 Sn 0.25000000000000 0.56025228791422 0.66155514818766 118.710 > 57 64 Sn 0.75000000000000 0.56025228791422 0.66155514818766 118.710 > 57 65 Sn 0.12663380551730 0.00000000000000 0.01572367391983 118.710 > 65 66 Sn 0.62663380551730 0.00000000000000 0.01572367391983 118.710 > 65 67 Sn 0.12663380551730 0.50000000000000 0.01572367391983 118.710 > 65 68 Sn 0.62663380551730 0.50000000000000 0.01572367391983 118.710 > 65 69 Sn 0.12663380551730 0.00000000000000 0.51572367391983 118.710 > 65 70 Sn 0.62663380551730 0.00000000000000 0.51572367391983 118.710 > 65 71 Sn 0.12663380551730 0.50000000000000 0.51572367391983 118.710 > 65 72 Sn 0.62663380551730 0.50000000000000 0.51572367391983 118.710 > 65 73 Sn 0.37336619448270 0.00000000000000 0.01572367391983 118.710 > 73 74 Sn 0.87336619448270 0.00000000000000 0.01572367391983 118.710 > 73 75 Sn 0.37336619448270 0.50000000000000 0.01572367391983 118.710 > 73 76 Sn 0.87336619448270 0.50000000000000 0.01572367391983 118.710 > 73 77 Sn 0.37336619448270 0.00000000000000 0.51572367391983 118.710 > 73 78 Sn 0.87336619448270 0.00000000000000 0.51572367391983 118.710 > 73 79 Sn 0.37336619448270 0.50000000000000 0.51572367391983 118.710 > 73 80 Sn 0.87336619448270 0.50000000000000 0.51572367391983 118.710 > 73 81 Sn 0.37663380551730 0.25000000000000 0.48427632608017 118.710 > 81 82 Sn 0.87663380551730 0.25000000000000 0.48427632608017 118.710 > 81 83 Sn 0.37663380551730 0.75000000000000 0.48427632608017 118.710 > 81 84 Sn 0.87663380551730 0.75000000000000 0.48427632608017 118.710 > 81 85 Sn 0.37663380551730 0.25000000000000 0.98427632608017 118.710 > 81 86 Sn 0.87663380551730 0.25000000000000 0.98427632608017 118.710 > 81 87 Sn 0.37663380551730 0.75000000000000 0.98427632608017 118.710 > 81 88 Sn 0.87663380551730 0.75000000000000 0.98427632608017 118.710 > 81 89 Sn 0.12336619448270 0.25000000000000 0.48427632608017 118.710 > 89 90 Sn 0.62336619448270 0.25000000000000 0.48427632608017 118.710 > 89 91 Sn 0.12336619448270 0.75000000000000 0.48427632608017 118.710 > 89 92 Sn 0.62336619448270 0.75000000000000 0.48427632608017 118.710 > 89 93 Sn 0.12336619448270 0.25000000000000 0.98427632608017 118.710 > 89 94 Sn 0.62336619448270 0.25000000000000 0.98427632608017 118.710 > 89 95 Sn 0.12336619448270 0.75000000000000 0.98427632608017 118.710 > 89 96 Sn 0.62336619448270 0.75000000000000 0.98427632608017 118.710 > 89 97 Sn 0.00000000000000 0.18974771208578 0.33844485181234 118.710 > 97 98 Sn 0.50000000000000 0.18974771208578 0.33844485181234 118.710 > 97 99 Sn 0.00000000000000 0.68974771208578 0.33844485181234 118.710 > 97 100 Sn 0.50000000000000 0.68974771208578 0.33844485181234 118.710 > 97 101 Sn 0.00000000000000 0.18974771208578 0.83844485181234 118.710 > 97 102 Sn 0.50000000000000 0.18974771208578 0.83844485181234 118.710 > 97 103 Sn 0.00000000000000 0.68974771208578 0.83844485181234 118.710 > 97 104 Sn 0.50000000000000 0.68974771208578 0.83844485181234 118.710 > 97 105 Sn 0.00000000000000 0.31025228791422 0.33844485181234 118.710 > 105 106 Sn 0.50000000000000 0.31025228791422 0.33844485181234 118.710 > 105 107 Sn 0.00000000000000 0.81025228791422 0.33844485181234 118.710 > 105 108 Sn 0.50000000000000 0.81025228791422 0.33844485181234 118.710 > 105 109 Sn 0.00000000000000 0.31025228791422 0.83844485181234 118.710 > 105 110 Sn 0.50000000000000 0.31025228791422 0.83844485181234 118.710 > 105 111 Sn 0.00000000000000 0.81025228791422 0.83844485181234 118.710 > 105 112 Sn 0.50000000000000 0.81025228791422 0.83844485181234 118.710 > 105 113 Au 0.25000000000000 0.00000000000000 0.34119764002548 196.967 > 113 114 Au 0.75000000000000 0.00000000000000 0.34119764002548 196.967 > 113 115 Au 0.25000000000000 0.50000000000000 0.34119764002548 196.967 > 113 116 Au 0.75000000000000 0.50000000000000 0.34119764002548 196.967 > 113 117 Au 0.25000000000000 0.00000000000000 0.84119764002548 196.967 > 113 118 Au 0.75000000000000 0.00000000000000 0.84119764002548 196.967 > 113 119 Au 0.25000000000000 0.50000000000000 0.84119764002548 196.967 > 113 120 Au 0.75000000000000 0.50000000000000 0.84119764002548 196.967 > 113 121 Au 0.00000000000000 0.25000000000000 0.15880235997452 196.967 > 121 122 Au 0.50000000000000 0.25000000000000 0.15880235997452 196.967 > 121 123 Au 0.00000000000000 0.75000000000000 0.15880235997452 196.967 > 121 124 Au 0.50000000000000 0.75000000000000 0.15880235997452 196.967 > 121 125 Au 0.00000000000000 0.25000000000000 0.65880235997452 196.967 > 121 126 Au 0.50000000000000 0.25000000000000 0.65880235997452 196.967 > 121 127 Au 0.00000000000000 0.75000000000000 0.65880235997452 196.967 > 121 128 Au 0.50000000000000 0.75000000000000 0.65880235997452 196.967 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3979926 0.0000000 0.0000000 0.0000000 8.0964208 0.0000000 0.0000000 0.0000000 30.5236197 -------------------------- Born effective charges -------------------------- 1 K 1.0663959 0.0000000 0.0000000 0.0000000 0.8478854 0.0000000 0.0000000 0.0000000 1.4673240 2 K 1.0663959 0.0000000 0.0000000 0.0000000 0.8478854 0.0000000 0.0000000 0.0000000 1.4673240 3 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 0.0944556 0.0000000 0.3442715 0.8965421 4 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 -0.0944556 0.0000000 -0.3442715 0.8965421 5 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 0.0944556 0.0000000 0.3442715 0.8965421 6 K 0.3241013 0.0000000 0.0000000 0.0000000 1.4804740 -0.0944556 0.0000000 -0.3442715 0.8965421 7 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 -0.2574984 0.0000000 0.3697862 -0.5192284 8 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 0.2574984 0.0000000 -0.3697862 -0.5192284 9 Sn 1.2120332 0.0000000 -0.7651952 0.0000000 -0.5909591 0.0000000 -1.6062339 0.0000000 -2.5073278 10 Sn 1.2120332 0.0000000 0.7651952 0.0000000 -0.5909591 0.0000000 1.6062339 0.0000000 -2.5073278 11 Sn 1.2120332 0.0000000 0.7651952 0.0000000 -0.5909591 0.0000000 1.6062339 0.0000000 -2.5073278 12 Sn 1.2120332 0.0000000 -0.7651952 0.0000000 -0.5909591 0.0000000 -1.6062339 0.0000000 -2.5073278 13 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 0.2574984 0.0000000 -0.3697862 -0.5192284 14 Sn -1.4957432 0.0000000 0.0000000 0.0000000 -0.8890182 -0.2574984 0.0000000 0.3697862 -0.5192284 15 Au -1.1471788 0.0000000 0.0000000 0.0000000 -0.8488788 0.0000000 0.0000000 0.0000000 2.7927041 16 Au -1.1471788 0.0000000 0.0000000 0.0000000 -0.8488788 0.0000000 0.0000000 0.0000000 2.7927041 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000032 (xxz) 0.00000032 (xxz) 0.00000032 (xzx) 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 ... [ 8 4 8 ] 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: 0.51, Number of G-points: 305, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.513 ( 0.000 0.000 0.000) 0.000 0.525 ( 0.000 0.000 0.000) 0.000 0.702 ( 0.000 0.000 0.000) 0.000 0.869 ( 0.000 0.000 0.000) 0.000 0.984 ( 0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.173 ( 13.631 0.000 0.000) 13.631 0.192 ( 9.719 0.000 0.000) 9.719 0.511 ( 23.058 0.000 0.000) 23.058 0.640 ( 4.806 0.000 0.000) 4.806 0.726 ( 16.956 0.000 0.000) 16.956 0.912 ( 15.452 0.000 0.000) 15.452 0.993 ( 0.067 0.000 0.000) 0.067 0.999 ( 11.993 0.000 0.000) 11.993 1.059 ( -1.928 0.000 0.000) 1.928 1.124 ( -1.043 0.000 0.000) 1.043 1.231 ( 1.028 0.000 0.000) 1.028 1.328 ( -2.187 0.000 0.000) 2.187 1.614 ( -1.596 0.000 0.000) 1.596 1.750 ( -1.999 0.000 0.000) 1.999 2.101 ( 4.800 0.000 0.000) 4.800 2.168 ( 0.344 0.000 0.000) 0.344 2.176 ( 0.631 0.000 0.000) 0.631 2.380 ( -0.589 0.000 0.000) 0.589 2.419 ( -0.136 0.000 0.000) 0.136 2.474 ( 1.558 0.000 0.000) 1.558 2.513 ( 5.990 0.000 0.000) 5.990 2.523 ( 0.333 0.000 0.000) 0.333 2.656 ( 4.248 0.000 0.000) 4.248 2.739 ( 2.962 0.000 0.000) 2.962 2.757 ( 1.565 0.000 0.000) 1.565 2.885 ( -0.880 0.000 0.000) 0.880 2.914 ( 1.185 0.000 0.000) 1.185 2.925 ( -0.542 0.000 0.000) 0.542 3.186 ( -4.244 0.000 0.000) 4.244 3.283 ( -2.568 0.000 0.000) 2.568 3.292 ( -1.517 0.000 0.000) 1.517 3.429 ( -0.757 0.000 0.000) 0.757 3.537 ( -4.748 0.000 0.000) 4.748 3.682 ( -2.168 0.000 0.000) 2.168 3.768 ( 3.190 0.000 0.000) 3.190 3.793 ( -1.814 0.000 0.000) 1.814 3.937 ( 2.096 0.000 0.000) 2.096 3.999 ( -0.710 0.000 0.000) 0.710 4.016 ( 0.083 0.000 0.000) 0.083 4.073 ( 3.784 0.000 0.000) 3.784 4.126 ( 3.939 0.000 0.000) 3.939 4.266 ( -1.253 0.000 0.000) 1.253 4.279 ( -1.218 0.000 0.000) 1.218 4.292 ( 0.563 0.000 0.000) 0.563 4.387 ( -0.425 0.000 0.000) 0.425 4.410 ( -0.291 0.000 0.000) 0.291 5.280 ( -0.336 0.000 0.000) 0.336 5.386 ( -1.262 0.000 0.000) 1.262 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 8.377 0.000 0.000) 8.377 0.426 ( 12.217 0.000 0.000) 12.217 0.680 ( 4.222 0.000 0.000) 4.222 0.935 ( -5.750 0.000 0.000) 5.750 0.974 ( 19.053 0.000 0.000) 19.053 1.040 ( 14.853 0.000 0.000) 14.853 1.054 ( 0.802 0.000 0.000) 0.802 1.100 ( -1.293 0.000 0.000) 1.293 1.215 ( 15.239 0.000 0.000) 15.239 1.251 ( 13.077 0.000 0.000) 13.077 1.256 ( 1.494 0.000 0.000) 1.494 1.290 ( -1.198 0.000 0.000) 1.198 1.589 ( -0.814 0.000 0.000) 0.814 1.703 ( -2.825 0.000 0.000) 2.825 2.172 ( 0.247 0.000 0.000) 0.247 2.193 ( 1.139 0.000 0.000) 1.139 2.197 ( 4.427 0.000 0.000) 4.427 2.354 ( -2.051 0.000 0.000) 2.051 2.422 ( 0.758 0.000 0.000) 0.758 2.526 ( -0.133 0.000 0.000) 0.133 2.527 ( 3.844 0.000 0.000) 3.844 2.639 ( 5.604 0.000 0.000) 5.604 2.710 ( 1.686 0.000 0.000) 1.686 2.812 ( 3.836 0.000 0.000) 3.836 2.849 ( 7.087 0.000 0.000) 7.087 2.869 ( -0.331 0.000 0.000) 0.331 2.918 ( 0.004 0.000 0.000) 0.004 2.945 ( 1.985 0.000 0.000) 1.985 3.099 ( -3.747 0.000 0.000) 3.747 3.219 ( -3.002 0.000 0.000) 3.002 3.257 ( -1.969 0.000 0.000) 1.969 3.423 ( -6.788 0.000 0.000) 6.788 3.444 ( 2.354 0.000 0.000) 2.354 3.632 ( -2.877 0.000 0.000) 2.877 3.734 ( -4.226 0.000 0.000) 4.226 3.845 ( 4.621 0.000 0.000) 4.621 3.939 ( -4.755 0.000 0.000) 4.755 3.980 ( 2.260 0.000 0.000) 2.260 4.041 ( 1.785 0.000 0.000) 1.785 4.153 ( 3.560 0.000 0.000) 3.560 4.223 ( 5.560 0.000 0.000) 5.560 4.233 ( -2.166 0.000 0.000) 2.166 4.247 ( -2.039 0.000 0.000) 2.039 4.305 ( 1.004 0.000 0.000) 1.004 4.380 ( -0.226 0.000 0.000) 0.226 4.403 ( -0.353 0.000 0.000) 0.353 5.273 ( -0.382 0.000 0.000) 0.382 5.354 ( -2.051 0.000 0.000) 2.051 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 7.441 0.000 0.000) 7.441 0.620 ( 7.989 0.000 0.000) 7.989 0.738 ( 1.465 0.000 0.000) 1.465 0.803 ( -7.768 0.000 0.000) 7.768 1.065 ( 0.360 0.000 0.000) 0.360 1.080 ( -0.743 0.000 0.000) 0.743 1.248 ( 9.556 0.000 0.000) 9.556 1.262 ( 8.134 0.000 0.000) 8.134 1.282 ( 1.116 0.000 0.000) 1.116 1.287 ( 0.495 0.000 0.000) 0.495 1.455 ( 9.240 0.000 0.000) 9.240 1.459 ( 8.191 0.000 0.000) 8.191 1.586 ( 0.484 0.000 0.000) 0.484 1.650 ( -2.613 0.000 0.000) 2.613 2.187 ( 1.604 0.000 0.000) 1.604 2.217 ( 1.364 0.000 0.000) 1.364 2.247 ( 0.804 0.000 0.000) 0.804 2.303 ( -3.296 0.000 0.000) 3.296 2.453 ( 2.260 0.000 0.000) 2.260 2.516 ( -0.839 0.000 0.000) 0.839 2.614 ( 5.260 0.000 0.000) 5.260 2.708 ( 2.240 0.000 0.000) 2.240 2.734 ( 0.780 0.000 0.000) 0.780 2.819 ( -2.991 0.000 0.000) 2.991 2.876 ( -0.410 0.000 0.000) 0.410 2.922 ( -0.187 0.000 0.000) 0.187 2.935 ( 1.832 0.000 0.000) 1.832 2.979 ( 1.220 0.000 0.000) 1.220 3.121 ( 6.165 0.000 0.000) 6.165 3.215 ( 2.245 0.000 0.000) 2.245 3.224 ( -1.356 0.000 0.000) 1.356 3.297 ( -5.983 0.000 0.000) 5.983 3.521 ( 6.062 0.000 0.000) 6.062 3.583 ( -1.919 0.000 0.000) 1.919 3.645 ( -4.698 0.000 0.000) 4.698 3.825 ( -7.319 0.000 0.000) 7.319 3.933 ( 4.420 0.000 0.000) 4.420 4.014 ( 0.947 0.000 0.000) 0.947 4.080 ( 2.343 0.000 0.000) 2.343 4.174 ( -1.265 0.000 0.000) 1.265 4.191 ( -1.897 0.000 0.000) 1.897 4.206 ( -2.089 0.000 0.000) 2.089 4.316 ( 3.723 0.000 0.000) 3.723 4.338 ( 2.051 0.000 0.000) 2.051 4.381 ( 0.390 0.000 0.000) 0.390 4.398 ( -0.244 0.000 0.000) 0.244 5.270 ( 0.142 0.000 0.000) 0.142 5.313 ( -2.035 0.000 0.000) 2.035 ======================= Grid point 4 (5/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -7.681 0.000 0.000) 7.681 0.654 ( 7.681 0.000 0.000) 7.681 0.725 ( -3.040 0.000 0.000) 3.040 0.725 ( 3.040 0.000 0.000) 3.040 1.071 ( -0.321 0.000 0.000) 0.321 1.071 ( 0.321 0.000 0.000) 0.321 1.294 ( -0.078 0.000 0.000) 0.078 1.294 ( 0.078 0.000 0.000) 0.078 1.339 ( -0.205 0.000 0.000) 0.205 1.339 ( 0.205 0.000 0.000) 0.205 1.542 ( -0.169 0.000 0.000) 0.169 1.542 ( 0.169 0.000 0.000) 0.169 1.607 ( -1.754 0.000 0.000) 1.754 1.607 ( 1.754 0.000 0.000) 1.754 2.237 ( -3.392 0.000 0.000) 3.392 2.237 ( 3.392 0.000 0.000) 3.392 2.241 ( -1.032 0.000 0.000) 1.032 2.241 ( 1.032 0.000 0.000) 1.032 2.493 ( -1.680 0.000 0.000) 1.680 2.493 ( 1.680 0.000 0.000) 1.680 2.721 ( -5.282 0.000 0.000) 5.282 2.721 ( 5.283 0.000 0.000) 5.283 2.738 ( -0.095 0.000 0.000) 0.095 2.738 ( 0.095 0.000 0.000) 0.095 2.889 ( -1.908 0.000 0.000) 1.908 2.889 ( 1.908 0.000 0.000) 1.908 2.975 ( -1.728 0.000 0.000) 1.728 2.975 ( 1.728 0.000 0.000) 1.728 3.221 ( -1.653 0.000 0.000) 1.653 3.221 ( 1.653 0.000 0.000) 1.653 3.225 ( -2.744 0.000 0.000) 2.744 3.225 ( 2.744 0.000 0.000) 2.744 3.577 ( -1.747 0.000 0.000) 1.747 3.577 ( 1.747 0.000 0.000) 1.747 3.668 ( -8.681 0.000 0.000) 8.681 3.668 ( 8.681 0.000 0.000) 8.681 4.002 ( -2.382 0.000 0.000) 2.382 4.002 ( 2.382 0.000 0.000) 2.382 4.130 ( -2.829 0.000 0.000) 2.829 4.130 ( 2.829 0.000 0.000) 2.829 4.177 ( -0.623 0.000 0.000) 0.623 4.177 ( 0.623 0.000 0.000) 0.623 4.356 ( -0.507 0.000 0.000) 0.507 4.356 ( 0.507 0.000 0.000) 0.507 4.392 ( -0.484 0.000 0.000) 0.484 4.392 ( 0.484 0.000 0.000) 0.484 5.282 ( -1.187 0.000 0.000) 1.187 5.282 ( 1.187 0.000 0.000) 1.187 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.199 ( 0.000 10.585 0.000) 10.585 0.228 ( 0.000 10.038 0.000) 10.038 0.422 ( 0.000 20.310 0.000) 20.310 0.477 ( 0.000 -3.465 0.000) 3.465 0.561 ( 0.000 3.928 0.000) 3.928 0.620 ( 0.000 -6.962 0.000) 6.962 0.806 ( 0.000 -5.507 0.000) 5.507 1.021 ( 0.000 2.854 0.000) 2.854 1.050 ( 0.000 -5.497 0.000) 5.497 1.120 ( 0.000 -1.500 0.000) 1.500 1.339 ( 0.000 0.105 0.000) 0.105 1.418 ( 0.000 -0.357 0.000) 0.357 1.649 ( 0.000 1.602 0.000) 1.602 1.751 ( 0.000 -2.635 0.000) 2.635 2.050 ( 0.000 0.127 0.000) 0.127 2.068 ( 0.000 -0.841 0.000) 0.841 2.189 ( 0.000 -0.108 0.000) 0.108 2.313 ( 0.000 -6.024 0.000) 6.024 2.382 ( 0.000 0.231 0.000) 0.231 2.419 ( 0.000 -1.479 0.000) 1.479 2.542 ( 0.000 4.024 0.000) 4.024 2.583 ( 0.000 5.488 0.000) 5.488 2.608 ( 0.000 0.205 0.000) 0.205 2.734 ( 0.000 1.599 0.000) 1.599 2.759 ( 0.000 1.284 0.000) 1.284 2.834 ( 0.000 -5.417 0.000) 5.417 2.901 ( 0.000 -2.359 0.000) 2.359 2.915 ( 0.000 -1.794 0.000) 1.794 3.255 ( 0.000 2.004 0.000) 2.004 3.309 ( 0.000 0.040 0.000) 0.040 3.358 ( 0.000 4.445 0.000) 4.445 3.464 ( 0.000 2.277 0.000) 2.277 3.546 ( 0.000 -3.643 0.000) 3.643 3.671 ( 0.000 -5.690 0.000) 5.690 3.686 ( 0.000 0.651 0.000) 0.651 3.702 ( 0.000 -0.196 0.000) 0.196 3.989 ( 0.000 -0.227 0.000) 0.227 4.014 ( 0.000 0.056 0.000) 0.056 4.019 ( 0.000 -0.120 0.000) 0.120 4.046 ( 0.000 -1.376 0.000) 1.376 4.134 ( 0.000 3.843 0.000) 3.843 4.275 ( 0.000 -1.274 0.000) 1.274 4.290 ( 0.000 -0.020 0.000) 0.020 4.351 ( 0.000 -4.038 0.000) 4.038 4.393 ( 0.000 -0.162 0.000) 0.162 4.407 ( 0.000 -0.515 0.000) 0.515 5.301 ( 0.000 1.639 0.000) 1.639 5.382 ( 0.000 -1.617 0.000) 1.617 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.227 ( 8.249 5.131 0.000) 9.715 0.308 ( 6.136 9.342 0.000) 11.176 0.525 ( 2.989 -2.970 0.000) 4.214 0.661 ( 18.628 7.787 0.000) 20.190 0.690 ( 15.202 -3.575 0.000) 15.616 0.892 ( 17.680 -0.734 0.000) 17.695 0.917 ( 7.767 -4.876 0.000) 9.171 1.044 ( 2.308 2.125 0.000) 3.137 1.057 ( 3.261 -2.004 0.000) 3.827 1.124 ( 0.079 -1.010 0.000) 1.013 1.317 ( -1.816 -0.024 0.000) 1.817 1.317 ( -4.370 4.415 0.000) 6.212 1.630 ( -1.588 1.626 0.000) 2.273 1.725 ( -2.180 -2.344 0.000) 3.201 2.095 ( 3.952 -0.584 0.000) 3.995 2.106 ( 1.523 -2.297 0.000) 2.756 2.214 ( 1.955 0.887 0.000) 2.147 2.310 ( 0.112 -4.544 0.000) 4.545 2.432 ( 3.533 0.412 0.000) 3.557 2.457 ( 3.245 -1.053 0.000) 3.412 2.556 ( 2.257 2.843 0.000) 3.630 2.558 ( -0.961 2.825 0.000) 2.984 2.672 ( 4.660 1.660 0.000) 4.946 2.742 ( 1.692 1.009 0.000) 1.970 2.768 ( 1.269 0.720 0.000) 1.459 2.837 ( 0.291 -4.003 0.000) 4.014 2.896 ( -0.382 -2.436 0.000) 2.465 2.909 ( 0.350 -1.100 0.000) 1.154 3.204 ( -4.687 1.744 0.000) 5.001 3.274 ( -3.469 -0.987 0.000) 3.607 3.335 ( -2.369 3.544 0.000) 4.263 3.438 ( -2.601 0.402 0.000) 2.632 3.523 ( -1.475 -0.206 0.000) 1.489 3.684 ( -1.145 -0.348 0.000) 1.197 3.703 ( 2.535 -4.986 0.000) 5.594 3.721 ( 1.651 -2.434 0.000) 2.941 3.994 ( -0.203 -0.140 0.000) 0.247 4.005 ( -1.214 1.751 0.000) 2.130 4.036 ( 1.291 1.146 0.000) 1.726 4.070 ( 3.268 -0.516 0.000) 3.309 4.151 ( 2.558 2.546 0.000) 3.609 4.261 ( -1.402 -1.429 0.000) 2.002 4.279 ( -1.176 0.010 0.000) 1.176 4.297 ( -1.688 -0.352 0.000) 1.725 4.388 ( -0.341 0.132 0.000) 0.365 4.405 ( -0.253 -0.484 0.000) 0.546 5.295 ( -0.500 1.484 0.000) 1.566 5.370 ( -1.139 -1.509 0.000) 1.891 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 10.562 0.703 0.000) 10.585 0.428 ( 6.077 6.589 0.000) 8.963 0.605 ( 4.684 -5.639 0.000) 7.331 0.843 ( -1.140 -8.230 0.000) 8.309 1.014 ( 15.903 3.219 0.000) 16.225 1.064 ( 2.060 0.719 0.000) 2.182 1.075 ( 10.523 1.875 0.000) 10.689 1.113 ( 0.449 0.291 0.000) 0.535 1.202 ( 12.021 -0.065 0.000) 12.022 1.253 ( 12.090 -0.343 0.000) 12.095 1.295 ( 0.317 1.143 0.000) 1.186 1.309 ( 3.743 3.316 0.000) 5.001 1.603 ( -0.979 1.354 0.000) 1.671 1.678 ( -2.537 -2.103 0.000) 3.295 2.124 ( 0.761 -1.925 0.000) 2.070 2.165 ( 2.637 -2.767 0.000) 3.823 2.247 ( 1.490 2.698 0.000) 3.082 2.324 ( 1.292 -1.874 0.000) 2.276 2.461 ( 0.021 2.385 0.000) 2.385 2.511 ( 1.543 -0.628 0.000) 1.666 2.561 ( 1.908 2.422 0.000) 3.084 2.635 ( 4.418 -0.535 0.000) 4.450 2.729 ( 1.516 2.000 0.000) 2.509 2.825 ( 4.632 0.899 0.000) 4.719 2.837 ( 6.903 -0.866 0.000) 6.957 2.846 ( 0.642 -1.656 0.000) 1.776 2.891 ( -0.092 -2.468 0.000) 2.470 2.932 ( 1.786 -1.430 0.000) 2.288 3.111 ( -3.728 1.616 0.000) 4.063 3.203 ( -2.766 -1.699 0.000) 3.246 3.278 ( -3.260 1.593 0.000) 3.628 3.358 ( -5.556 -3.212 0.000) 6.418 3.525 ( 1.642 5.158 0.000) 5.413 3.650 ( -1.990 1.721 0.000) 2.630 3.716 ( -2.179 -1.360 0.000) 2.568 3.768 ( 3.647 -6.068 0.000) 7.079 3.955 ( -3.538 0.965 0.000) 3.667 3.992 ( -0.040 0.435 0.000) 0.437 4.067 ( 1.929 1.886 0.000) 2.698 4.134 ( 2.304 -1.699 0.000) 2.863 4.232 ( 4.956 0.960 0.000) 5.048 4.238 ( -1.038 0.401 0.000) 1.113 4.249 ( -1.749 0.075 0.000) 1.750 4.294 ( 1.161 -1.183 0.000) 1.658 4.382 ( -0.199 0.265 0.000) 0.331 4.399 ( -0.297 -0.400 0.000) 0.498 5.284 ( -0.616 1.108 0.000) 1.268 5.341 ( -1.803 -1.167 0.000) 2.148 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 5.216 2.715 0.000) 5.880 0.591 ( 6.377 -1.633 0.000) 6.583 0.677 ( 2.400 -4.775 0.000) 5.344 0.763 ( -5.637 -4.662 0.000) 7.316 1.079 ( 0.756 1.164 0.000) 1.388 1.095 ( -0.146 0.852 0.000) 0.865 1.263 ( 7.714 1.447 0.000) 7.849 1.265 ( 6.460 1.123 0.000) 6.557 1.303 ( 2.548 1.424 0.000) 2.918 1.311 ( 2.242 1.336 0.000) 2.610 1.454 ( 7.589 -0.282 0.000) 7.595 1.466 ( 7.782 0.572 0.000) 7.803 1.599 ( 0.574 1.115 0.000) 1.254 1.637 ( -1.625 -1.014 0.000) 1.915 2.142 ( 1.212 -1.922 0.000) 2.273 2.186 ( -0.172 -3.693 0.000) 3.697 2.275 ( 1.615 3.309 0.000) 3.682 2.338 ( -0.466 1.045 0.000) 1.145 2.467 ( 1.012 1.368 0.000) 1.702 2.513 ( -0.723 -0.385 0.000) 0.819 2.630 ( 4.807 1.494 0.000) 5.034 2.697 ( 2.514 -1.147 0.000) 2.763 2.748 ( 0.365 1.547 0.000) 1.590 2.837 ( -3.892 1.031 0.000) 4.027 2.859 ( 0.670 -1.067 0.000) 1.260 2.916 ( 0.149 -0.590 0.000) 0.608 2.920 ( 2.490 -1.007 0.000) 2.686 2.956 ( 0.808 -2.186 0.000) 2.330 3.128 ( 4.815 1.174 0.000) 4.956 3.218 ( 3.173 0.096 0.000) 3.174 3.229 ( -1.052 0.239 0.000) 1.079 3.252 ( -4.302 -3.538 0.000) 5.570 3.578 ( 3.848 4.672 0.000) 6.053 3.613 ( -1.760 2.397 0.000) 2.974 3.656 ( -3.400 1.055 0.000) 3.560 3.798 ( -2.778 -3.046 0.000) 4.122 3.904 ( 0.497 -1.172 0.000) 1.273 3.989 ( -0.771 -2.545 0.000) 2.660 4.107 ( 2.269 1.765 0.000) 2.875 4.148 ( 0.000 -1.292 0.000) 1.292 4.207 ( -2.141 0.174 0.000) 2.148 4.210 ( -2.056 0.697 0.000) 2.171 4.321 ( 3.634 0.477 0.000) 3.665 4.337 ( 2.519 -0.168 0.000) 2.525 4.382 ( 0.213 0.136 0.000) 0.253 4.394 ( -0.202 -0.309 0.000) 0.369 5.276 ( -0.164 0.603 0.000) 0.625 5.307 ( -1.705 -0.633 0.000) 1.819 ======================= Grid point 13 (10/75) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -4.057 -1.528 0.000) 4.335 0.629 ( 4.057 -1.528 0.000) 4.336 0.692 ( -0.105 -3.020 0.000) 3.021 0.692 ( 0.105 -3.020 0.000) 3.022 1.091 ( -0.387 1.367 0.000) 1.421 1.091 ( 0.387 1.367 0.000) 1.421 1.309 ( -0.133 1.778 0.000) 1.783 1.309 ( 0.133 1.778 0.000) 1.783 1.354 ( -0.161 0.793 0.000) 0.809 1.354 ( 0.161 0.793 0.000) 0.809 1.531 ( -0.643 -0.987 0.000) 1.178 1.531 ( 0.643 -0.988 0.000) 1.178 1.618 ( -0.855 0.808 0.000) 1.177 1.618 ( 0.856 0.808 0.000) 1.177 2.169 ( -1.387 -2.780 0.000) 3.107 2.169 ( 1.387 -2.780 0.000) 3.107 2.310 ( -1.974 2.870 0.000) 3.483 2.310 ( 1.974 2.870 0.000) 3.483 2.493 ( -1.374 -0.001 0.000) 1.374 2.493 ( 1.374 -0.001 0.000) 1.374 2.730 ( -3.133 -0.308 0.000) 3.148 2.730 ( 3.133 -0.308 0.000) 3.148 2.742 ( -1.283 1.389 0.000) 1.891 2.742 ( 1.283 1.389 0.000) 1.891 2.883 ( -1.905 -0.595 0.000) 1.995 2.883 ( 1.905 -0.595 0.000) 1.995 2.960 ( -1.158 -1.284 0.000) 1.729 2.960 ( 1.158 -1.284 0.000) 1.729 3.177 ( -1.727 -1.681 0.000) 2.410 3.177 ( 1.727 -1.682 0.000) 2.410 3.264 ( -1.595 1.345 0.000) 2.087 3.264 ( 1.596 1.345 0.000) 2.087 3.598 ( -0.628 1.093 0.000) 1.260 3.598 ( 0.628 1.093 0.000) 1.260 3.691 ( -6.430 2.824 0.000) 7.022 3.691 ( 6.430 2.824 0.000) 7.022 3.952 ( -2.915 -4.146 0.000) 5.069 3.952 ( 2.915 -4.146 0.000) 5.069 4.147 ( -1.212 1.111 0.000) 1.644 4.147 ( 1.212 1.111 0.000) 1.644 4.178 ( -0.071 0.054 0.000) 0.089 4.178 ( 0.071 0.054 0.000) 0.089 4.360 ( -0.395 0.341 0.000) 0.521 4.360 ( 0.395 0.341 0.000) 0.521 4.390 ( -0.384 -0.208 0.000) 0.437 4.390 ( 0.384 -0.208 0.000) 0.437 5.282 ( -0.840 -0.005 0.000) 0.840 5.282 ( 0.840 -0.005 0.000) 0.840 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 0.000 -6.078 0.000) 6.078 0.383 ( 0.000 6.078 0.000) 6.078 0.414 ( 0.000 -10.813 0.000) 10.813 0.414 ( 0.000 10.813 0.000) 10.813 0.676 ( 0.000 -7.059 0.000) 7.059 0.676 ( 0.000 7.059 0.000) 7.059 0.822 ( 0.000 -16.792 0.000) 16.792 0.822 ( 0.000 16.792 0.000) 16.792 1.078 ( 0.000 -2.657 0.000) 2.657 1.078 ( 0.000 2.657 0.000) 2.657 1.381 ( 0.000 -3.126 0.000) 3.126 1.381 ( 0.000 3.126 0.000) 3.126 1.694 ( 0.000 -2.820 0.000) 2.820 1.694 ( 0.000 2.820 0.000) 2.820 2.055 ( 0.000 -0.413 0.000) 0.413 2.055 ( 0.000 0.413 0.000) 0.413 2.217 ( 0.000 -3.276 0.000) 3.276 2.217 ( 0.000 3.276 0.000) 3.276 2.394 ( 0.000 -0.969 0.000) 0.969 2.394 ( 0.000 0.969 0.000) 0.969 2.597 ( 0.000 -1.592 0.000) 1.592 2.597 ( 0.000 1.592 0.000) 1.592 2.709 ( 0.000 -6.828 0.000) 6.828 2.709 ( 0.000 6.828 0.000) 6.828 2.766 ( 0.000 -1.063 0.000) 1.063 2.766 ( 0.000 1.063 0.000) 1.063 2.880 ( 0.000 -0.929 0.000) 0.929 2.880 ( 0.000 0.929 0.000) 0.929 3.293 ( 0.000 -1.620 0.000) 1.620 3.293 ( 0.000 1.620 0.000) 1.620 3.457 ( 0.000 -5.134 0.000) 5.134 3.457 ( 0.000 5.134 0.000) 5.134 3.548 ( 0.000 -5.969 0.000) 5.969 3.548 ( 0.000 5.969 0.000) 5.969 3.697 ( 0.000 -0.412 0.000) 0.412 3.697 ( 0.000 0.412 0.000) 0.412 4.006 ( 0.000 -2.045 0.000) 2.045 4.006 ( 0.000 2.046 0.000) 2.046 4.016 ( 0.000 -0.114 0.000) 0.114 4.016 ( 0.000 0.114 0.000) 0.114 4.219 ( 0.000 -4.299 0.000) 4.299 4.219 ( 0.000 4.299 0.000) 4.299 4.296 ( 0.000 -0.987 0.000) 0.987 4.296 ( 0.000 0.987 0.000) 0.987 4.396 ( 0.000 -0.475 0.000) 0.475 4.396 ( 0.000 0.475 0.000) 0.475 5.341 ( 0.000 -2.259 0.000) 2.259 5.341 ( 0.000 2.259 0.000) 2.259 ======================= Grid point 20 (12/75) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 3.820 -5.619 0.000) 6.795 0.345 ( 3.820 5.619 0.000) 6.795 0.579 ( 7.226 -7.573 0.000) 10.467 0.579 ( 7.225 7.573 0.000) 10.467 0.813 ( 11.467 -5.864 0.000) 12.879 0.813 ( 11.467 5.865 0.000) 12.879 0.948 ( 13.177 -6.760 0.000) 14.810 0.948 ( 13.177 6.760 0.000) 14.810 1.091 ( 1.222 -2.205 0.000) 2.521 1.091 ( 1.222 2.205 0.000) 2.521 1.342 ( -2.669 -1.323 0.000) 2.978 1.342 ( -2.669 1.323 0.000) 2.978 1.673 ( -1.872 -2.592 0.000) 3.197 1.673 ( -1.872 2.592 0.000) 3.197 2.086 ( 2.212 -0.021 0.000) 2.212 2.086 ( 2.212 0.021 0.000) 2.212 2.239 ( 2.244 -2.307 0.000) 3.218 2.239 ( 2.244 2.307 0.000) 3.218 2.441 ( 4.097 -0.610 0.000) 4.142 2.441 ( 4.097 0.610 0.000) 4.142 2.591 ( -0.202 -0.204 0.000) 0.287 2.591 ( -0.202 0.204 0.000) 0.287 2.731 ( 2.528 -4.188 0.000) 4.892 2.731 ( 2.528 4.188 0.000) 4.892 2.776 ( 1.049 -2.081 0.000) 2.330 2.776 ( 1.049 2.081 0.000) 2.330 2.879 ( 0.094 -1.183 0.000) 1.187 2.879 ( 0.094 1.183 0.000) 1.187 3.244 ( -4.553 -2.000 0.000) 4.973 3.244 ( -4.553 2.000 0.000) 4.973 3.406 ( -4.459 -3.252 0.000) 5.519 3.406 ( -4.459 3.252 0.000) 5.519 3.582 ( 2.830 -5.532 0.000) 6.214 3.582 ( 2.830 5.532 0.000) 6.214 3.697 ( -0.107 -0.665 0.000) 0.674 3.697 ( -0.107 0.665 0.000) 0.674 4.005 ( -0.213 -1.009 0.000) 1.032 4.005 ( -0.213 1.010 0.000) 1.032 4.053 ( 2.843 -0.848 0.000) 2.966 4.053 ( 2.843 0.848 0.000) 2.966 4.212 ( 0.183 -3.219 0.000) 3.224 4.212 ( 0.183 3.219 0.000) 3.224 4.283 ( -1.187 -0.541 0.000) 1.304 4.283 ( -1.187 0.541 0.000) 1.304 4.394 ( -0.208 -0.480 0.000) 0.523 4.394 ( -0.208 0.480 0.000) 0.523 5.333 ( -0.843 -2.109 0.000) 2.271 5.333 ( -0.843 2.109 0.000) 2.271 ======================= Grid point 22 (13/75) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 7.538 -3.699 0.000) 8.396 0.472 ( 7.537 3.699 0.000) 8.396 0.644 ( 0.912 -10.666 0.000) 10.705 0.644 ( 0.912 10.667 0.000) 10.706 1.062 ( 10.076 -1.259 0.000) 10.154 1.062 ( 10.076 1.259 0.000) 10.155 1.102 ( 4.281 -1.125 0.000) 4.426 1.102 ( 4.281 1.125 0.000) 4.426 1.224 ( 11.120 -1.945 0.000) 11.289 1.224 ( 11.120 1.945 0.000) 11.289 1.332 ( 2.850 -1.220 0.000) 3.100 1.332 ( 2.850 1.220 0.000) 3.100 1.637 ( -1.690 -1.923 0.000) 2.560 1.637 ( -1.690 1.923 0.000) 2.560 2.118 ( 1.179 -1.340 0.000) 1.784 2.118 ( 1.179 1.340 0.000) 1.784 2.289 ( 2.614 -1.780 0.000) 3.162 2.289 ( 2.614 1.780 0.000) 3.162 2.495 ( 0.972 -1.127 0.000) 1.489 2.495 ( 0.972 1.127 0.000) 1.489 2.610 ( 2.279 -2.131 0.000) 3.120 2.610 ( 2.279 2.131 0.000) 3.120 2.788 ( 1.417 -3.611 0.000) 3.879 2.788 ( 1.417 3.611 0.000) 3.879 2.829 ( 5.632 -0.230 0.000) 5.637 2.829 ( 5.632 0.230 0.000) 5.637 2.892 ( 1.238 -2.258 0.000) 2.575 2.892 ( 1.238 2.258 0.000) 2.575 3.157 ( -3.240 -2.668 0.000) 4.197 3.157 ( -3.240 2.668 0.000) 4.197 3.310 ( -5.257 -1.785 0.000) 5.552 3.310 ( -5.257 1.785 0.000) 5.552 3.640 ( 3.049 -6.468 0.000) 7.150 3.640 ( 3.049 6.468 0.000) 7.150 3.687 ( -0.916 -1.660 0.000) 1.896 3.687 ( -0.916 1.660 0.000) 1.896 3.980 ( -2.357 -1.406 0.000) 2.745 3.980 ( -2.357 1.406 0.000) 2.745 4.100 ( 1.843 -1.598 0.000) 2.439 4.100 ( 1.843 1.598 0.000) 2.439 4.245 ( 0.648 -0.172 0.000) 0.671 4.245 ( 0.648 0.172 0.000) 0.671 4.263 ( 1.415 -1.712 0.000) 2.221 4.263 ( 1.415 1.712 0.000) 2.221 4.390 ( -0.202 -0.471 0.000) 0.513 4.390 ( -0.202 0.471 0.000) 0.513 5.312 ( -1.208 -1.616 0.000) 2.018 5.312 ( -1.208 1.616 0.000) 2.018 ======================= Grid point 24 (14/75) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 4.222 -1.090 0.000) 4.360 0.590 ( 4.221 1.090 0.000) 4.360 0.642 ( -0.521 -5.624 0.000) 5.648 0.642 ( -0.521 5.624 0.000) 5.648 1.098 ( 0.613 -0.539 0.000) 0.816 1.098 ( 0.612 0.540 0.000) 0.816 1.283 ( 7.498 -0.003 0.000) 7.498 1.283 ( 7.498 0.003 0.000) 7.498 1.323 ( 2.094 -0.395 0.000) 2.131 1.323 ( 2.094 0.395 0.000) 2.131 1.460 ( 6.410 -0.875 0.000) 6.470 1.460 ( 6.410 0.875 0.000) 6.470 1.619 ( 0.067 -0.842 0.000) 0.845 1.619 ( 0.067 0.842 0.000) 0.845 2.134 ( 0.599 -1.228 0.000) 1.366 2.134 ( 0.599 1.228 0.000) 1.366 2.328 ( 1.318 -1.832 0.000) 2.257 2.328 ( 1.318 1.832 0.000) 2.257 2.497 ( -0.306 -1.331 0.000) 1.366 2.497 ( -0.306 1.331 0.000) 1.366 2.665 ( 3.470 -1.907 0.000) 3.959 2.665 ( 3.470 1.907 0.000) 3.959 2.795 ( -0.718 -3.071 0.000) 3.153 2.795 ( -0.718 3.071 0.000) 3.153 2.896 ( -1.529 -2.420 0.000) 2.862 2.896 ( -1.529 2.419 0.000) 2.862 2.913 ( 2.817 -0.698 0.000) 2.902 2.913 ( 2.817 0.698 0.000) 2.902 3.173 ( 2.839 -3.277 0.000) 4.335 3.173 ( 2.838 3.277 0.000) 4.335 3.229 ( -1.184 -0.179 0.000) 1.198 3.229 ( -1.185 0.179 0.000) 1.198 3.641 ( -2.527 -0.351 0.000) 2.551 3.641 ( -2.527 0.351 0.000) 2.551 3.710 ( 2.893 -4.944 0.000) 5.728 3.710 ( 2.893 4.944 0.000) 5.728 3.926 ( -3.015 -3.038 0.000) 4.281 3.926 ( -3.016 3.038 0.000) 4.281 4.131 ( 1.648 -0.758 0.000) 1.814 4.131 ( 1.648 0.758 0.000) 1.814 4.213 ( -2.186 -0.253 0.000) 2.200 4.213 ( -2.186 0.253 0.000) 2.200 4.331 ( 3.283 -0.450 0.000) 3.314 4.331 ( 3.283 0.450 0.000) 3.314 4.387 ( -0.069 -0.341 0.000) 0.348 4.387 ( -0.069 0.341 0.000) 0.348 5.291 ( -0.923 -0.875 0.000) 1.272 5.291 ( -0.923 0.875 0.000) 1.272 ======================= Grid point 26 (15/75) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.000 0.000 0.000) 0.000 0.619 ( 0.000 0.000 0.000) 0.000 0.645 ( -0.000 -0.000 0.000) 0.000 0.645 ( 0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 -0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 -0.000 0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.493 ( -0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.763 ( -0.000 0.000 0.000) 0.000 2.763 ( -0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 -0.000 0.000) 0.000 3.277 ( 0.000 -0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.178 ( -0.000 -0.000 0.000) 0.000 4.178 ( 0.000 -0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.128 ( 0.000 0.000 6.118) 6.118 0.141 ( 0.000 0.000 7.761) 7.761 0.429 ( 0.000 0.000 3.301) 3.301 0.660 ( 0.000 0.000 33.795) 33.795 0.756 ( 0.000 0.000 11.598) 11.598 0.909 ( 0.000 0.000 4.826) 4.826 0.926 ( 0.000 0.000 19.927) 19.927 0.998 ( 0.000 0.000 1.339) 1.339 1.016 ( 0.000 0.000 -4.723) 4.723 1.138 ( 0.000 0.000 0.307) 0.307 1.242 ( 0.000 0.000 0.426) 0.426 1.321 ( 0.000 0.000 -1.459) 1.459 1.589 ( 0.000 0.000 -4.502) 4.502 1.745 ( 0.000 0.000 -2.683) 2.683 2.054 ( 0.000 0.000 0.485) 0.485 2.109 ( 0.000 0.000 2.855) 2.855 2.240 ( 0.000 0.000 6.680) 6.680 2.406 ( 0.000 0.000 2.875) 2.875 2.413 ( 0.000 0.000 -3.994) 3.994 2.450 ( 0.000 0.000 2.854) 2.854 2.481 ( 0.000 0.000 3.548) 3.548 2.502 ( 0.000 0.000 -8.460) 8.460 2.521 ( 0.000 0.000 0.286) 0.286 2.699 ( 0.000 0.000 -1.704) 1.704 2.893 ( 0.000 0.000 4.396) 4.396 2.897 ( 0.000 0.000 0.326) 0.326 2.900 ( 0.000 0.000 -0.123) 0.123 2.937 ( 0.000 0.000 0.282) 0.282 3.238 ( 0.000 0.000 -2.811) 2.811 3.317 ( 0.000 0.000 0.977) 0.977 3.359 ( 0.000 0.000 -0.633) 0.633 3.459 ( 0.000 0.000 1.691) 1.691 3.586 ( 0.000 0.000 0.054) 0.054 3.638 ( 0.000 0.000 -3.553) 3.553 3.663 ( 0.000 0.000 -3.751) 3.751 3.719 ( 0.000 0.000 -1.610) 1.610 3.898 ( 0.000 0.000 -1.552) 1.552 3.930 ( 0.000 0.000 -6.650) 6.650 4.016 ( 0.000 0.000 -7.168) 7.168 4.053 ( 0.000 0.000 3.502) 3.502 4.059 ( 0.000 0.000 3.508) 3.508 4.227 ( 0.000 0.000 -2.765) 2.765 4.252 ( 0.000 0.000 -4.309) 4.309 4.338 ( 0.000 0.000 2.335) 2.335 4.405 ( 0.000 0.000 1.865) 1.865 4.442 ( 0.000 0.000 1.656) 1.656 5.274 ( 0.000 0.000 -1.275) 1.275 5.396 ( 0.000 0.000 -2.776) 2.776 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( 7.332 0.000 3.992) 8.349 0.466 ( 17.249 0.000 5.777) 18.191 0.628 ( 14.784 0.000 7.531) 16.592 0.684 ( 10.350 0.000 15.557) 18.686 0.847 ( 2.763 0.000 14.077) 14.345 0.975 ( -2.264 0.000 -2.429) 3.321 0.995 ( 14.324 0.000 9.940) 17.435 1.032 ( 1.251 0.000 -0.534) 1.360 1.097 ( 11.777 0.000 10.392) 15.706 1.128 ( -0.943 0.000 0.306) 0.991 1.252 ( 1.002 0.000 0.822) 1.296 1.304 ( -1.470 0.000 -0.911) 1.729 1.570 ( -1.593 0.000 -4.412) 4.691 1.723 ( -2.123 0.000 -2.786) 3.502 2.081 ( 2.536 0.000 -0.820) 2.665 2.133 ( 1.869 0.000 0.783) 2.027 2.257 ( 1.577 0.000 6.650) 6.834 2.370 ( -1.693 0.000 -1.605) 2.333 2.438 ( 0.822 0.000 -1.786) 1.966 2.446 ( -0.246 0.000 2.671) 2.683 2.526 ( 6.427 0.000 -0.638) 6.459 2.526 ( 0.380 0.000 0.417) 0.564 2.572 ( 3.866 0.000 -2.585) 4.651 2.697 ( 1.084 0.000 -2.781) 2.985 2.889 ( 0.612 0.000 3.006) 3.068 2.907 ( 0.534 0.000 -0.203) 0.571 2.919 ( 1.202 0.000 3.608) 3.803 2.939 ( 0.424 0.000 0.679) 0.800 3.199 ( -3.704 0.000 -0.733) 3.776 3.301 ( -1.576 0.000 0.917) 1.823 3.309 ( -4.305 0.000 0.300) 4.316 3.452 ( -0.133 0.000 2.300) 2.304 3.537 ( -4.725 0.000 -0.055) 4.725 3.643 ( -0.452 0.000 -5.118) 5.138 3.665 ( 0.075 0.000 -3.389) 3.389 3.754 ( 3.240 0.000 -1.407) 3.532 3.916 ( -1.214 0.000 -7.189) 7.291 3.922 ( 2.168 0.000 -1.494) 2.633 3.997 ( -0.258 0.000 -3.154) 3.165 4.099 ( 3.771 0.000 2.844) 4.723 4.124 ( 4.957 0.000 -0.300) 4.966 4.217 ( -1.067 0.000 -2.643) 2.850 4.251 ( -0.041 0.000 -4.311) 4.311 4.325 ( -1.284 0.000 2.330) 2.660 4.406 ( 0.033 0.000 2.084) 2.084 4.439 ( -0.313 0.000 1.706) 1.734 5.271 ( -0.273 0.000 -1.137) 1.169 5.380 ( -1.549 0.000 -2.039) 2.560 ======================= Grid point 47 (18/75) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 7.436 0.000 1.304) 7.549 0.674 ( 8.590 0.000 18.238) 20.160 0.865 ( 4.502 0.000 16.298) 16.909 0.907 ( -5.127 0.000 -2.319) 5.627 0.959 ( 17.239 0.000 0.587) 17.249 1.011 ( 13.729 0.000 -1.608) 13.823 1.053 ( 0.813 0.000 0.124) 0.823 1.108 ( -1.034 0.000 0.663) 1.228 1.275 ( 1.168 0.000 1.407) 1.829 1.278 ( 13.912 0.000 6.920) 15.537 1.283 ( -0.243 0.000 -0.100) 0.263 1.322 ( 11.065 0.000 6.215) 12.691 1.544 ( -0.830 0.000 -4.412) 4.489 1.672 ( -3.042 0.000 -3.057) 4.313 2.136 ( 2.968 0.000 -2.082) 3.626 2.162 ( 1.084 0.000 -0.234) 1.109 2.285 ( 0.874 0.000 4.878) 4.956 2.339 ( -1.782 0.000 -1.432) 2.286 2.450 ( 0.862 0.000 2.768) 2.899 2.477 ( 3.189 0.000 -4.685) 5.667 2.530 ( -0.106 0.000 0.558) 0.568 2.594 ( -0.200 0.000 -4.192) 4.196 2.671 ( 7.306 0.000 1.217) 7.406 2.771 ( 4.744 0.000 -4.152) 6.304 2.917 ( 1.099 0.000 0.635) 1.269 2.917 ( 2.212 0.000 1.908) 2.921 2.947 ( 1.689 0.000 5.564) 5.815 2.962 ( 1.843 0.000 1.125) 2.159 3.127 ( -2.694 0.000 2.571) 3.724 3.229 ( -3.372 0.000 0.733) 3.451 3.265 ( -2.002 0.000 0.837) 2.170 3.426 ( -6.568 0.000 0.223) 6.571 3.467 ( 1.759 0.000 2.004) 2.666 3.613 ( -2.237 0.000 -3.220) 3.921 3.653 ( -1.553 0.000 -3.525) 3.853 3.829 ( 4.360 0.000 -1.601) 4.644 3.880 ( -2.861 0.000 -5.581) 6.271 3.966 ( 2.255 0.000 -1.428) 2.669 4.010 ( 1.517 0.000 -2.779) 3.166 4.166 ( 2.030 0.000 0.667) 2.137 4.191 ( -1.487 0.000 -2.106) 2.578 4.220 ( 4.950 0.000 -0.441) 4.969 4.263 ( 2.056 0.000 -3.578) 4.126 4.291 ( -2.309 0.000 2.277) 3.243 4.406 ( -0.079 0.000 2.222) 2.224 4.430 ( -0.634 0.000 1.638) 1.756 5.266 ( -0.215 0.000 -0.808) 0.836 5.345 ( -2.017 0.000 -1.278) 2.388 ======================= Grid point 48 (19/75) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 6.942 0.000 -0.039) 6.942 0.785 ( -7.300 0.000 -1.455) 7.443 0.821 ( 6.568 0.000 17.421) 18.618 0.921 ( 1.417 0.000 16.651) 16.711 1.065 ( 0.630 0.000 0.282) 0.691 1.090 ( -0.792 0.000 0.934) 1.225 1.216 ( 9.337 0.000 -2.230) 9.600 1.228 ( 8.194 0.000 -2.854) 8.677 1.291 ( 0.874 0.000 0.797) 1.183 1.296 ( 0.790 0.000 0.870) 1.175 1.488 ( 7.666 0.000 3.247) 8.326 1.493 ( 6.634 0.000 3.144) 7.341 1.542 ( 0.622 0.000 -4.272) 4.317 1.615 ( -2.880 0.000 -3.452) 4.496 2.185 ( 1.682 0.000 -0.178) 1.691 2.191 ( 2.838 0.000 -1.544) 3.231 2.279 ( -1.354 0.000 1.975) 2.395 2.294 ( -3.036 0.000 -0.891) 3.164 2.477 ( 1.692 0.000 2.384) 2.924 2.522 ( -0.682 0.000 0.774) 1.031 2.547 ( 3.660 0.000 -7.154) 8.036 2.594 ( 0.324 0.000 -5.963) 5.971 2.761 ( 2.145 0.000 3.106) 3.774 2.826 ( 0.772 0.000 -1.576) 1.755 2.937 ( -0.493 0.000 4.735) 4.761 2.948 ( 2.414 0.000 1.336) 2.759 2.979 ( 0.567 0.000 2.626) 2.687 2.996 ( 1.349 0.000 1.397) 1.942 3.144 ( 4.278 0.000 2.777) 5.100 3.212 ( 1.481 0.000 -0.145) 1.488 3.231 ( -1.387 0.000 0.779) 1.591 3.303 ( -5.833 0.000 0.643) 5.869 3.508 ( 1.725 0.000 -0.825) 1.912 3.573 ( -1.981 0.000 -3.879) 4.355 3.623 ( -0.016 0.000 1.264) 1.264 3.804 ( -5.192 0.000 -2.139) 5.615 3.910 ( 4.012 0.000 -2.173) 4.563 3.995 ( 0.394 0.000 -1.920) 1.960 4.050 ( 2.605 0.000 -2.569) 3.658 4.159 ( -2.095 0.000 -1.671) 2.680 4.171 ( -0.167 0.000 -0.593) 0.616 4.241 ( -2.785 0.000 2.036) 3.450 4.305 ( 3.904 0.000 -0.573) 3.946 4.326 ( 3.539 0.000 -1.380) 3.799 4.400 ( -0.653 0.000 1.562) 1.693 4.415 ( -0.936 0.000 1.052) 1.408 5.266 ( 0.271 0.000 -0.444) 0.521 5.307 ( -1.845 0.000 -0.708) 1.976 ======================= Grid point 49 (20/75) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -7.327 0.000 -0.797) 7.371 0.644 ( 7.327 0.000 -0.797) 7.371 0.910 ( -2.634 0.000 16.809) 17.014 0.910 ( 2.634 0.000 16.809) 17.014 1.077 ( -0.631 0.000 0.715) 0.953 1.077 ( 0.631 0.000 0.715) 0.954 1.302 ( -0.171 0.000 0.789) 0.807 1.302 ( 0.171 0.000 0.789) 0.807 1.306 ( -0.193 0.000 -2.863) 2.869 1.306 ( 0.193 0.000 -2.863) 2.869 1.560 ( -0.139 0.000 1.757) 1.762 1.560 ( 0.140 0.000 1.757) 1.762 1.567 ( -2.005 0.000 -3.898) 4.383 1.567 ( 2.005 0.000 -3.898) 4.383 2.232 ( -3.175 0.000 -0.462) 3.208 2.232 ( 3.175 0.000 -0.462) 3.208 2.242 ( -2.441 0.000 -0.061) 2.442 2.242 ( 2.441 0.000 -0.061) 2.442 2.505 ( -1.168 0.000 1.346) 1.782 2.505 ( 1.168 0.000 1.346) 1.782 2.594 ( -0.969 0.000 -8.082) 8.140 2.594 ( 0.969 0.000 -8.082) 8.140 2.797 ( -2.387 0.000 3.363) 4.124 2.797 ( 2.387 0.000 3.363) 4.124 2.956 ( -1.979 0.000 4.046) 4.504 2.956 ( 1.979 0.000 4.046) 4.504 2.994 ( -1.743 0.000 1.720) 2.448 2.994 ( 1.743 0.000 1.720) 2.448 3.221 ( -2.047 0.000 -0.221) 2.059 3.221 ( 2.047 0.000 -0.221) 2.059 3.228 ( -1.652 0.000 0.755) 1.816 3.228 ( 1.652 0.000 0.755) 1.816 3.531 ( -1.753 0.000 -3.304) 3.740 3.531 ( 1.753 0.000 -3.304) 3.740 3.692 ( -5.939 0.000 1.464) 6.117 3.692 ( 5.940 0.000 1.464) 6.117 3.974 ( -2.498 0.000 -2.530) 3.555 3.974 ( 2.498 0.000 -2.530) 3.555 4.106 ( -3.120 0.000 -2.125) 3.775 4.106 ( 3.120 0.000 -2.125) 3.775 4.192 ( -2.145 0.000 1.242) 2.479 4.192 ( 2.145 0.000 1.242) 2.479 4.359 ( -1.295 0.000 -0.035) 1.295 4.359 ( 1.295 0.000 -0.035) 1.295 4.394 ( -1.080 0.000 0.180) 1.095 4.394 ( 1.080 0.000 0.180) 1.095 5.278 ( -1.119 0.000 -0.363) 1.177 5.278 ( 1.119 0.000 -0.363) 1.177 ======================= Grid point 54 (21/75) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( 0.000 8.054 1.860) 8.266 0.411 ( 0.000 16.058 5.521) 16.980 0.418 ( 0.000 -1.194 2.670) 2.925 0.689 ( 0.000 3.551 27.099) 27.331 0.757 ( 0.000 0.388 11.437) 11.444 0.818 ( 0.000 -6.389 14.956) 16.264 0.862 ( 0.000 -3.810 5.874) 7.001 1.034 ( 0.000 2.680 1.300) 2.978 1.061 ( 0.000 -0.818 4.658) 4.729 1.124 ( 0.000 -1.377 0.439) 1.445 1.272 ( 0.000 1.636 -2.442) 2.939 1.287 ( 0.000 -1.709 -2.852) 3.325 1.605 ( 0.000 1.841 -4.453) 4.818 1.718 ( 0.000 -2.515 -3.032) 3.939 2.057 ( 0.000 0.359 0.704) 0.790 2.093 ( 0.000 -1.347 2.335) 2.696 2.238 ( 0.000 0.166 5.467) 5.470 2.340 ( 0.000 -4.672 1.664) 4.959 2.411 ( 0.000 0.572 3.120) 3.172 2.457 ( 0.000 -1.490 3.480) 3.786 2.491 ( 0.000 1.985 -3.831) 4.315 2.512 ( 0.000 0.697 -7.707) 7.738 2.588 ( 0.000 5.415 0.419) 5.432 2.738 ( 0.000 3.240 -0.089) 3.241 2.837 ( 0.000 -5.426 0.308) 5.435 2.875 ( 0.000 -1.315 4.822) 4.998 2.886 ( 0.000 -2.158 -0.795) 2.300 2.916 ( 0.000 -0.958 0.708) 1.191 3.269 ( 0.000 2.501 -0.769) 2.617 3.345 ( 0.000 -1.319 1.201) 1.784 3.366 ( 0.000 4.307 0.834) 4.387 3.465 ( 0.000 1.569 0.639) 1.694 3.546 ( 0.000 -3.509 -0.038) 3.509 3.649 ( 0.000 0.652 -3.310) 3.373 3.659 ( 0.000 -5.429 -1.342) 5.592 3.662 ( 0.000 -0.117 -3.669) 3.671 3.895 ( 0.000 -0.221 -6.755) 6.759 3.922 ( 0.000 -0.769 -5.628) 5.680 4.053 ( 0.000 0.057 3.501) 3.502 4.057 ( 0.000 -0.123 3.507) 3.510 4.066 ( 0.000 4.120 -5.516) 6.885 4.208 ( 0.000 -2.048 -4.122) 4.603 4.262 ( 0.000 1.042 -2.635) 2.833 4.324 ( 0.000 -1.318 0.648) 1.469 4.413 ( 0.000 0.546 2.022) 2.094 4.437 ( 0.000 -0.483 2.006) 2.063 5.291 ( 0.000 1.662 -1.354) 2.144 5.377 ( 0.000 -1.838 -2.230) 2.890 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 5.085 10.457 5.977) 13.074 0.551 ( 10.772 6.676 9.061) 15.579 0.607 ( 14.762 -1.928 4.536) 15.563 0.693 ( 8.707 2.044 13.344) 16.065 0.786 ( 3.141 -5.230 12.049) 13.505 0.920 ( 1.939 -4.739 0.762) 5.177 0.987 ( 13.487 0.492 8.852) 16.140 1.051 ( 1.068 1.377 0.644) 1.858 1.128 ( 1.068 -0.446 1.202) 1.669 1.135 ( 8.318 0.765 8.730) 12.083 1.275 ( -0.029 -0.344 -1.160) 1.211 1.285 ( 0.729 1.118 -0.986) 1.660 1.588 ( -1.546 1.863 -4.315) 4.948 1.696 ( -2.123 -2.505 -2.970) 4.427 2.078 ( 1.776 -0.130 -0.380) 1.821 2.115 ( 1.979 -1.573 0.981) 2.712 2.259 ( 1.803 0.359 4.878) 5.213 2.333 ( -0.194 -3.061 1.785) 3.549 2.438 ( 1.498 0.274 -0.109) 1.527 2.449 ( 0.089 0.094 -0.868) 0.878 2.539 ( 4.875 1.121 -1.852) 5.334 2.549 ( 2.520 1.284 -0.083) 2.830 2.600 ( 1.831 3.129 -2.403) 4.349 2.716 ( -1.068 1.052 -1.854) 2.384 2.847 ( 1.004 -2.994 1.416) 3.461 2.894 ( 1.096 -3.420 1.075) 3.749 2.902 ( 1.986 -0.601 3.493) 4.063 2.920 ( 0.767 -0.120 1.575) 1.756 3.228 ( -3.906 2.234 0.822) 4.574 3.299 ( -4.047 -1.076 1.564) 4.470 3.337 ( -2.749 3.210 0.211) 4.232 3.445 ( -2.612 -0.785 0.612) 2.795 3.528 ( -0.852 0.163 0.528) 1.016 3.650 ( -0.274 0.260 -4.049) 4.066 3.665 ( 0.159 -0.052 -3.235) 3.239 3.694 ( 3.126 -4.890 -0.999) 5.889 3.893 ( -0.086 -0.579 -6.246) 6.273 3.926 ( 0.598 -0.809 -5.194) 5.290 4.044 ( 0.035 3.314 -1.327) 3.570 4.096 ( 3.479 -0.258 2.753) 4.444 4.128 ( 4.604 0.653 -1.009) 4.758 4.205 ( -0.172 -1.465 -3.516) 3.813 4.255 ( -0.574 0.742 -2.806) 2.959 4.312 ( -1.254 -1.294 1.006) 2.064 4.412 ( -0.091 0.502 2.187) 2.245 4.434 ( -0.273 -0.453 2.004) 2.073 5.287 ( -0.440 1.504 -1.197) 1.972 5.363 ( -1.304 -1.590 -1.787) 2.724 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 4.663 8.338 3.738) 10.259 0.683 ( 6.441 0.439 19.546) 20.585 0.785 ( 2.359 -4.842 11.363) 12.575 0.864 ( 2.370 -5.361 6.311) 8.613 0.983 ( 13.035 1.351 -1.142) 13.155 1.017 ( 12.745 0.883 -3.697) 13.300 1.066 ( 0.949 1.076 0.222) 1.452 1.107 ( 0.954 -0.416 0.133) 1.049 1.242 ( 6.800 -0.519 2.045) 7.119 1.275 ( 1.568 -0.734 -0.134) 1.736 1.336 ( 9.790 1.525 6.349) 11.767 1.349 ( 7.299 3.132 4.828) 9.295 1.561 ( -0.941 1.629 -4.198) 4.600 1.648 ( -2.673 -2.147 -3.076) 4.606 2.110 ( 1.504 -1.140 -0.803) 2.050 2.156 ( 2.120 -1.814 -0.473) 2.830 2.280 ( 0.132 0.868 2.604) 2.748 2.344 ( 0.957 -0.607 1.949) 2.254 2.454 ( 0.724 0.625 -0.603) 1.131 2.474 ( 2.339 -0.233 -3.772) 4.444 2.558 ( -0.161 2.590 -0.029) 2.595 2.616 ( -0.774 1.468 -2.912) 3.352 2.672 ( 7.028 0.335 0.391) 7.047 2.755 ( 4.289 -1.762 -4.016) 6.134 2.878 ( 2.384 -1.507 1.303) 3.107 2.915 ( 1.299 -2.968 1.158) 3.440 2.946 ( 2.168 0.487 3.789) 4.393 2.957 ( 3.068 0.456 3.541) 4.707 3.150 ( -3.193 1.757 3.357) 4.955 3.223 ( -2.988 -0.800 1.800) 3.579 3.277 ( -3.338 1.145 0.030) 3.529 3.363 ( -5.431 -3.449 0.432) 6.449 3.535 ( 1.280 4.395 0.822) 4.651 3.633 ( -1.270 1.707 -3.019) 3.693 3.655 ( -1.351 0.094 -3.106) 3.389 3.762 ( 3.626 -5.199 -0.832) 6.393 3.883 ( -1.219 0.239 -5.322) 5.465 3.944 ( 1.083 -1.810 -3.824) 4.367 4.056 ( 1.263 3.138 -1.373) 3.651 4.146 ( 0.763 -1.509 0.199) 1.703 4.207 ( 0.331 1.048 -1.070) 1.534 4.223 ( 4.563 0.339 -0.844) 4.652 4.258 ( 1.953 -0.434 -3.044) 3.643 4.279 ( -1.982 -1.039 1.384) 2.631 4.410 ( -0.208 0.362 2.219) 2.258 4.426 ( -0.550 -0.339 1.838) 1.948 5.277 ( -0.474 1.106 -0.847) 1.472 5.333 ( -1.740 -1.131 -1.184) 2.389 ======================= Grid point 57 (24/75) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 4.548 4.256 2.098) 6.572 0.738 ( -3.542 -3.341 3.592) 6.051 0.817 ( 3.985 -1.186 15.801) 16.339 0.880 ( 0.876 -3.942 15.878) 16.384 1.078 ( 1.229 1.209 0.138) 1.730 1.101 ( 0.310 0.705 0.935) 1.211 1.222 ( 7.787 0.698 -2.996) 8.372 1.226 ( 7.612 0.521 -3.183) 8.267 1.304 ( 2.050 0.716 -0.316) 2.194 1.312 ( 2.016 0.984 0.497) 2.297 1.487 ( 5.178 -0.205 2.242) 5.646 1.500 ( 5.846 0.551 3.229) 6.702 1.562 ( 1.297 1.547 -3.203) 3.786 1.604 ( -1.603 -0.776 -3.168) 3.634 2.139 ( 1.593 -1.709 -0.254) 2.350 2.183 ( 0.389 -3.048 -0.332) 3.091 2.281 ( 0.475 2.815 0.515) 2.901 2.342 ( -1.334 1.457 0.233) 1.990 2.478 ( 1.608 0.312 1.052) 1.947 2.512 ( 0.724 -0.773 -0.724) 1.283 2.567 ( 1.662 1.653 -5.772) 6.230 2.605 ( -0.166 0.629 -5.609) 5.647 2.761 ( 2.309 0.151 2.666) 3.530 2.811 ( 0.984 -1.456 -1.155) 2.103 2.927 ( 1.954 -0.498 2.388) 3.126 2.941 ( 1.731 -1.041 1.899) 2.772 2.971 ( 0.489 0.159 3.964) 3.997 3.000 ( 0.335 -0.152 3.098) 3.120 3.147 ( 2.594 0.565 2.253) 3.482 3.218 ( -0.433 0.628 -0.381) 0.853 3.226 ( 0.722 -1.042 0.592) 1.399 3.265 ( -3.752 -2.483 1.004) 4.610 3.555 ( 0.098 3.477 -1.504) 3.790 3.602 ( -2.531 1.727 -4.330) 5.305 3.640 ( 1.627 2.476 1.850) 3.493 3.792 ( -2.238 -1.603 -0.969) 2.919 3.874 ( 1.940 -2.061 -2.407) 3.715 3.955 ( -0.255 -3.215 -2.976) 4.389 4.088 ( 1.946 2.379 -1.739) 3.531 4.142 ( -0.451 -0.924 -0.933) 1.388 4.189 ( -1.263 1.080 -0.783) 1.837 4.233 ( -2.488 -0.832 1.291) 2.924 4.309 ( 3.891 0.379 -0.723) 3.976 4.325 ( 3.614 -0.198 -1.282) 3.840 4.402 ( -0.721 0.216 1.528) 1.704 4.413 ( -0.906 -0.221 1.171) 1.497 5.272 ( -0.033 0.587 -0.469) 0.752 5.301 ( -1.529 -0.591 -0.658) 1.766 ======================= Grid point 58 (25/75) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -5.187 0.193 1.330) 5.358 0.644 ( 5.187 0.193 1.330) 5.358 0.876 ( -1.645 -2.871 16.516) 16.845 0.876 ( 1.645 -2.871 16.517) 16.845 1.098 ( -0.644 1.424 1.043) 1.878 1.098 ( 0.644 1.424 1.043) 1.879 1.291 ( -0.106 0.669 -2.292) 2.390 1.291 ( 0.106 0.669 -2.292) 2.390 1.336 ( -0.307 0.919 -0.839) 1.282 1.336 ( 0.307 0.919 -0.840) 1.282 1.537 ( -0.935 -1.157 -0.663) 1.629 1.537 ( 0.935 -1.157 -0.663) 1.629 1.593 ( -0.733 1.256 -1.331) 1.972 1.593 ( 0.733 1.256 -1.331) 1.972 2.170 ( -1.498 -2.675 0.060) 3.067 2.170 ( 1.498 -2.676 0.060) 3.067 2.306 ( -1.974 2.890 -0.430) 3.526 2.306 ( 1.974 2.890 -0.430) 3.526 2.504 ( -1.042 -0.011 1.264) 1.639 2.504 ( 1.042 -0.011 1.264) 1.639 2.599 ( -0.948 0.385 -8.311) 8.374 2.599 ( 0.948 0.385 -8.311) 8.374 2.794 ( -1.768 -0.288 3.140) 3.615 2.794 ( 1.768 -0.288 3.140) 3.615 2.955 ( -1.471 0.110 3.774) 4.052 2.955 ( 1.471 0.110 3.774) 4.052 2.987 ( -1.595 -0.797 2.877) 3.385 2.987 ( 1.595 -0.797 2.877) 3.385 3.177 ( -1.436 -1.966 0.060) 2.435 3.177 ( 1.436 -1.966 0.060) 2.435 3.259 ( -0.861 1.081 -0.342) 1.424 3.259 ( 0.861 1.081 -0.342) 1.424 3.558 ( -1.294 1.878 -2.873) 3.668 3.558 ( 1.294 1.878 -2.873) 3.668 3.712 ( -4.907 2.260 1.262) 5.548 3.712 ( 4.907 2.260 1.262) 5.548 3.927 ( -2.581 -4.009 -2.260) 5.277 3.927 ( 2.581 -4.009 -2.260) 5.277 4.124 ( -1.664 1.249 -1.978) 2.871 4.124 ( 1.664 1.249 -1.978) 2.871 4.190 ( -1.625 -0.195 0.939) 1.887 4.190 ( 1.625 -0.195 0.939) 1.887 4.362 ( -1.042 0.236 -0.130) 1.077 4.362 ( 1.042 0.236 -0.130) 1.077 4.392 ( -0.882 -0.146 0.248) 0.927 4.392 ( 0.882 -0.146 0.248) 0.927 5.278 ( -0.791 0.003 -0.355) 0.867 5.278 ( 0.791 0.003 -0.355) 0.867 ======================= Grid point 63 (26/75) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 -4.057 1.171) 4.223 0.371 ( 0.000 4.057 1.171) 4.223 0.637 ( 0.000 -7.903 13.564) 15.699 0.637 ( 0.000 7.903 13.565) 15.699 0.788 ( 0.000 -3.009 9.228) 9.707 0.788 ( 0.000 3.010 9.228) 9.707 0.911 ( 0.000 -12.141 11.813) 16.940 0.911 ( 0.000 12.141 11.813) 16.940 1.086 ( 0.000 -2.437 0.829) 2.575 1.086 ( 0.000 2.437 0.829) 2.575 1.286 ( 0.000 -0.892 -3.864) 3.966 1.286 ( 0.000 0.892 -3.864) 3.966 1.658 ( 0.000 -3.234 -3.775) 4.971 1.658 ( 0.000 3.234 -3.775) 4.971 2.069 ( 0.000 -0.914 1.395) 1.668 2.069 ( 0.000 0.914 1.395) 1.668 2.264 ( 0.000 -2.677 3.778) 4.630 2.264 ( 0.000 2.677 3.778) 4.630 2.429 ( 0.000 -1.239 3.475) 3.690 2.429 ( 0.000 1.239 3.475) 3.690 2.516 ( 0.000 -0.527 -6.219) 6.241 2.516 ( 0.000 0.527 -6.219) 6.241 2.712 ( 0.000 -6.797 0.306) 6.804 2.712 ( 0.000 6.797 0.306) 6.804 2.808 ( 0.000 -3.752 0.949) 3.870 2.808 ( 0.000 3.752 0.949) 3.870 2.893 ( 0.000 -1.313 1.794) 2.223 2.893 ( 0.000 1.313 1.794) 2.223 3.313 ( 0.000 -1.865 1.548) 2.424 3.313 ( 0.000 1.865 1.548) 2.424 3.461 ( 0.000 -4.891 0.428) 4.909 3.461 ( 0.000 4.891 0.428) 4.909 3.540 ( 0.000 -5.748 -1.094) 5.852 3.540 ( 0.000 5.748 -1.094) 5.852 3.658 ( 0.000 -0.309 -3.472) 3.485 3.658 ( 0.000 0.309 -3.472) 3.485 3.902 ( 0.000 -0.997 -6.859) 6.931 3.902 ( 0.000 0.997 -6.859) 6.931 4.055 ( 0.000 -0.118 3.504) 3.506 4.055 ( 0.000 0.118 3.504) 3.506 4.149 ( 0.000 -3.858 -4.807) 6.163 4.149 ( 0.000 3.858 -4.807) 6.163 4.291 ( 0.000 -1.786 -0.959) 2.027 4.291 ( 0.000 1.786 -0.959) 2.027 4.425 ( 0.000 -0.665 2.320) 2.413 4.425 ( 0.000 0.665 2.320) 2.413 5.333 ( 0.000 -2.387 -1.625) 2.888 5.333 ( 0.000 2.387 -1.625) 2.888 ======================= Grid point 65 (27/75) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 9.945 -5.253 6.666) 13.075 0.538 ( 9.946 5.253 6.666) 13.075 0.672 ( 4.717 -5.615 12.990) 14.917 0.672 ( 4.717 5.615 12.990) 14.917 0.801 ( 4.824 -7.102 2.999) 9.093 0.801 ( 4.824 7.102 2.998) 9.094 1.038 ( 7.395 -3.900 5.517) 10.016 1.038 ( 7.395 3.900 5.517) 10.017 1.112 ( 4.576 -0.385 3.572) 5.818 1.112 ( 4.576 0.385 3.572) 5.818 1.293 ( 1.276 -1.191 -1.177) 2.105 1.293 ( 1.276 1.191 -1.177) 2.105 1.638 ( -1.831 -3.050 -3.636) 5.087 1.638 ( -1.831 3.050 -3.636) 5.087 2.086 ( 1.456 -1.041 0.459) 1.848 2.086 ( 1.456 1.041 0.459) 1.848 2.280 ( 1.588 -1.949 3.481) 4.294 2.280 ( 1.588 1.949 3.481) 4.294 2.446 ( 1.183 -0.365 -0.356) 1.288 2.446 ( 1.183 0.365 -0.356) 1.288 2.556 ( 4.301 -0.398 -2.040) 4.777 2.556 ( 4.301 0.398 -2.040) 4.777 2.685 ( -1.885 -4.334 -1.717) 5.028 2.685 ( -1.885 4.334 -1.717) 5.028 2.831 ( 1.849 -2.039 1.391) 3.084 2.831 ( 1.849 2.039 1.391) 3.084 2.908 ( 1.722 -0.895 2.796) 3.404 2.908 ( 1.722 0.895 2.796) 3.404 3.269 ( -4.083 -1.853 2.176) 4.984 3.269 ( -4.083 1.853 2.176) 4.984 3.405 ( -4.586 -3.169 -0.138) 5.576 3.405 ( -4.586 3.169 -0.138) 5.576 3.579 ( 2.902 -4.822 -0.536) 5.653 3.579 ( 2.902 4.822 -0.536) 5.653 3.664 ( 0.402 -0.284 -2.979) 3.020 3.664 ( 0.402 0.284 -2.979) 3.020 3.901 ( 0.130 -1.231 -6.355) 6.474 3.901 ( 0.130 1.231 -6.355) 6.474 4.087 ( 2.186 -0.945 1.994) 3.106 4.087 ( 2.186 0.945 1.994) 3.106 4.161 ( 1.886 -2.557 -3.656) 4.844 4.161 ( 1.886 2.557 -3.656) 4.844 4.281 ( -1.055 -1.640 -0.733) 2.084 4.281 ( -1.055 1.640 -0.733) 2.084 4.423 ( -0.170 -0.607 2.315) 2.399 4.423 ( -0.170 0.607 2.315) 2.399 5.324 ( -0.839 -2.147 -1.415) 2.705 5.324 ( -0.839 2.147 -1.415) 2.705 ======================= Grid point 67 (28/75) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 2.583 -7.119 7.284) 10.508 0.642 ( 2.583 7.120 7.284) 10.508 0.748 ( 3.261 -3.333 15.687) 16.365 0.748 ( 3.261 3.333 15.687) 16.366 1.014 ( 13.105 -1.293 -3.340) 13.586 1.014 ( 13.105 1.293 -3.340) 13.586 1.090 ( 1.689 -1.195 -0.114) 2.072 1.090 ( 1.689 1.195 -0.113) 2.072 1.251 ( 5.334 -1.256 0.550) 5.507 1.251 ( 5.334 1.256 0.550) 5.507 1.370 ( 7.313 -1.003 5.179) 9.017 1.370 ( 7.313 1.003 5.179) 9.017 1.602 ( -1.679 -2.346 -3.550) 4.574 1.602 ( -1.679 2.346 -3.550) 4.574 2.114 ( 1.320 -1.598 -0.161) 2.079 2.114 ( 1.320 1.598 -0.161) 2.079 2.314 ( 1.676 -2.013 2.315) 3.496 2.314 ( 1.676 2.013 2.315) 3.496 2.467 ( 1.250 -0.514 -2.819) 3.126 2.467 ( 1.250 0.514 -2.819) 3.126 2.611 ( -0.423 -2.103 -0.152) 2.150 2.611 ( -0.423 2.103 -0.152) 2.150 2.705 ( 4.883 -2.802 -3.194) 6.473 2.705 ( 4.883 2.803 -3.194) 6.473 2.871 ( 2.481 -1.001 1.447) 3.042 2.871 ( 2.481 1.001 1.447) 3.042 2.956 ( 2.959 -0.577 3.856) 4.895 2.956 ( 2.959 0.577 3.856) 4.895 3.190 ( -3.225 -2.207 3.241) 5.077 3.190 ( -3.225 2.207 3.241) 5.077 3.310 ( -5.114 -2.117 -0.059) 5.535 3.310 ( -5.114 2.117 -0.059) 5.535 3.624 ( 0.916 -3.906 -2.209) 4.580 3.624 ( 0.916 3.906 -2.209) 4.580 3.674 ( 1.370 -2.489 -0.649) 2.914 3.674 ( 1.370 2.490 -0.649) 2.915 3.903 ( -0.180 -1.878 -5.113) 5.450 3.903 ( -0.180 1.879 -5.113) 5.450 4.110 ( 0.603 -2.214 -0.321) 2.317 4.110 ( 0.603 2.214 -0.321) 2.317 4.224 ( 3.208 -0.548 -1.115) 3.440 4.224 ( 3.208 0.548 -1.115) 3.440 4.258 ( -0.377 -0.762 -0.768) 1.146 4.258 ( -0.377 0.762 -0.768) 1.146 4.418 ( -0.375 -0.468 2.129) 2.212 4.418 ( -0.375 0.468 2.129) 2.212 5.305 ( -1.099 -1.575 -0.990) 2.160 5.305 ( -1.099 1.575 -0.990) 2.160 ======================= Grid point 69 (29/75) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.397 -5.324 3.541) 6.406 0.657 ( -0.397 5.325 3.541) 6.407 0.810 ( 2.764 -1.658 17.134) 17.434 0.810 ( 2.764 1.658 17.134) 17.434 1.101 ( 1.139 -0.752 0.615) 1.497 1.101 ( 1.139 0.752 0.615) 1.497 1.236 ( 7.771 -0.193 -3.711) 8.614 1.236 ( 7.771 0.193 -3.711) 8.614 1.317 ( 2.254 -0.472 -0.438) 2.344 1.317 ( 2.254 0.472 -0.438) 2.344 1.494 ( 4.005 -0.825 2.446) 4.764 1.494 ( 4.005 0.825 2.446) 4.764 1.589 ( 0.687 -1.022 -2.712) 2.979 1.589 ( 0.687 1.022 -2.712) 2.979 2.134 ( 0.783 -1.344 0.023) 1.555 2.134 ( 0.783 1.344 0.023) 1.555 2.334 ( 0.451 -1.983 0.556) 2.109 2.334 ( 0.451 1.983 0.556) 2.109 2.493 ( 1.196 -1.055 -0.737) 1.757 2.493 ( 1.196 1.055 -0.737) 1.757 2.600 ( -0.089 -1.282 -5.351) 5.503 2.600 ( -0.089 1.282 -5.351) 5.503 2.777 ( 1.913 -1.549 0.711) 2.562 2.777 ( 1.913 1.549 0.711) 2.562 2.925 ( 2.910 -0.400 1.694) 3.391 2.925 ( 2.910 0.400 1.694) 3.391 2.985 ( -0.401 -1.080 4.572) 4.715 2.985 ( -0.401 1.080 4.572) 4.715 3.178 ( 0.223 -2.566 0.693) 2.667 3.178 ( 0.223 2.566 0.693) 2.667 3.237 ( -0.541 -0.950 0.831) 1.373 3.237 ( -0.542 0.950 0.831) 1.373 3.605 ( -2.093 -1.306 -2.921) 3.824 3.605 ( -2.093 1.306 -2.921) 3.824 3.722 ( 2.948 -4.799 0.704) 5.676 3.722 ( 2.948 4.799 0.704) 5.676 3.887 ( -1.541 -2.998 -3.084) 4.568 3.887 ( -1.541 2.998 -3.084) 4.568 4.123 ( 0.959 -1.194 -1.068) 1.867 4.123 ( 0.959 1.194 -1.068) 1.867 4.211 ( -1.884 -1.205 0.041) 2.237 4.211 ( -1.884 1.205 0.041) 2.237 4.318 ( 3.777 -0.445 -1.047) 3.944 4.318 ( 3.777 0.445 -1.047) 3.944 4.407 ( -0.827 -0.315 1.393) 1.650 4.407 ( -0.827 0.315 1.393) 1.650 5.286 ( -0.775 -0.831 -0.551) 1.263 5.286 ( -0.775 0.831 -0.551) 1.263 ======================= Grid point 71 (30/75) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 0.000 3.071) 3.071 0.649 ( 0.000 0.000 3.072) 3.072 0.838 ( 0.000 -0.000 16.673) 16.673 0.838 ( 0.000 0.000 16.673) 16.673 1.113 ( 0.000 0.000 1.171) 1.171 1.113 ( 0.000 0.000 1.171) 1.171 1.310 ( 0.000 -0.000 -3.868) 3.868 1.310 ( 0.000 0.000 -3.868) 3.868 1.339 ( 0.000 -0.000 -0.232) 0.232 1.339 ( 0.000 0.000 -0.232) 0.232 1.523 ( 0.000 0.000 -0.546) 0.546 1.523 ( 0.000 0.000 -0.546) 0.546 1.606 ( 0.000 -0.000 -1.261) 1.261 1.606 ( 0.000 0.000 -1.261) 1.261 2.142 ( 0.000 0.000 0.179) 0.179 2.142 ( 0.000 0.000 0.179) 0.179 2.337 ( 0.000 -0.000 -0.341) 0.341 2.337 ( 0.000 0.000 -0.341) 0.341 2.504 ( -0.000 0.000 1.222) 1.222 2.504 ( 0.000 0.000 1.222) 1.222 2.603 ( 0.000 0.000 -8.603) 8.603 2.603 ( 0.000 0.000 -8.603) 8.603 2.790 ( 0.000 -0.000 2.849) 2.849 2.790 ( 0.000 0.000 2.849) 2.849 2.965 ( 0.000 -0.000 1.898) 1.898 2.965 ( 0.000 0.000 1.898) 1.898 2.968 ( 0.000 0.000 5.639) 5.639 2.968 ( -0.000 0.000 5.639) 5.639 3.157 ( 0.000 0.000 -0.367) 0.367 3.157 ( 0.000 0.000 -0.367) 0.367 3.269 ( 0.000 -0.000 -0.558) 0.558 3.269 ( 0.000 0.000 -0.558) 0.558 3.577 ( 0.000 -0.000 -2.258) 2.258 3.577 ( 0.000 0.000 -2.258) 2.258 3.759 ( 0.000 -0.000 0.865) 0.865 3.759 ( 0.000 0.000 0.865) 0.865 3.863 ( 0.000 0.000 -2.160) 2.160 3.863 ( -0.000 0.000 -2.160) 2.160 4.139 ( 0.000 0.000 -1.769) 1.769 4.139 ( 0.000 0.000 -1.769) 1.769 4.187 ( 0.000 -0.000 0.617) 0.617 4.187 ( 0.000 0.000 0.617) 0.617 4.365 ( 0.000 -0.000 -0.271) 0.271 4.365 ( 0.000 0.000 -0.271) 0.271 4.390 ( -0.000 0.000 0.356) 0.356 4.390 ( 0.000 0.000 0.356) 0.356 5.278 ( 0.000 0.000 -0.347) 0.347 5.278 ( 0.000 0.000 -0.347) 0.347 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 0.000 0.000 10.917) 10.917 0.308 ( 0.000 0.000 9.585) 9.585 0.546 ( 0.000 0.000 6.517) 6.517 0.922 ( 0.000 0.000 6.475) 6.475 0.953 ( 0.000 0.000 -1.349) 1.349 1.031 ( 0.000 0.000 1.925) 1.925 1.060 ( 0.000 0.000 9.302) 9.302 1.144 ( 0.000 0.000 0.288) 0.288 1.235 ( 0.000 0.000 -0.591) 0.591 1.273 ( 0.000 0.000 29.558) 29.558 1.325 ( 0.000 0.000 1.296) 1.296 1.348 ( 0.000 0.000 22.472) 22.472 1.474 ( 0.000 0.000 -7.006) 7.006 1.675 ( 0.000 0.000 -4.244) 4.244 2.066 ( 0.000 0.000 0.699) 0.699 2.171 ( 0.000 0.000 3.269) 3.269 2.324 ( 0.000 0.000 -6.670) 6.670 2.338 ( 0.000 0.000 -6.417) 6.417 2.396 ( 0.000 0.000 8.988) 8.988 2.488 ( 0.000 0.000 5.136) 5.136 2.523 ( 0.000 0.000 4.640) 4.640 2.528 ( 0.000 0.000 0.393) 0.393 2.555 ( 0.000 0.000 3.747) 3.747 2.631 ( 0.000 0.000 -5.128) 5.128 2.891 ( 0.000 0.000 -1.327) 1.327 2.907 ( 0.000 0.000 0.710) 0.710 2.917 ( 0.000 0.000 -1.797) 1.797 2.933 ( 0.000 0.000 -0.767) 0.767 3.229 ( 0.000 0.000 0.463) 0.463 3.325 ( 0.000 0.000 -1.294) 1.294 3.342 ( 0.000 0.000 1.417) 1.417 3.464 ( 0.000 0.000 -3.380) 3.380 3.562 ( 0.000 0.000 -3.876) 3.876 3.583 ( 0.000 0.000 -4.168) 4.168 3.588 ( 0.000 0.000 0.086) 0.086 3.680 ( 0.000 0.000 -2.352) 2.352 3.798 ( 0.000 0.000 -5.001) 5.001 3.862 ( 0.000 0.000 -1.885) 1.885 3.892 ( 0.000 0.000 -5.375) 5.375 4.126 ( 0.000 0.000 3.772) 3.772 4.132 ( 0.000 0.000 3.711) 3.711 4.156 ( 0.000 0.000 -4.965) 4.965 4.182 ( 0.000 0.000 -1.865) 1.865 4.372 ( 0.000 0.000 1.286) 1.286 4.436 ( 0.000 0.000 1.076) 1.076 4.467 ( 0.000 0.000 0.758) 0.758 5.234 ( 0.000 0.000 -2.659) 2.659 5.326 ( 0.000 0.000 -4.236) 4.236 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 3.466 0.000 7.570) 8.325 0.537 ( 17.935 0.000 4.841) 18.577 0.705 ( 13.844 0.000 3.553) 14.293 0.934 ( -1.940 0.000 -0.844) 2.115 0.984 ( 6.126 0.000 9.467) 11.276 1.047 ( 1.284 0.000 1.517) 1.987 1.110 ( 4.750 0.000 11.445) 12.391 1.135 ( -0.737 0.000 0.470) 0.874 1.250 ( 1.413 0.000 -0.574) 1.525 1.319 ( -0.639 0.000 1.612) 1.734 1.338 ( 6.165 0.000 23.766) 24.553 1.386 ( 3.781 0.000 18.681) 19.060 1.457 ( -1.414 0.000 -6.893) 7.036 1.652 ( -2.254 0.000 -4.233) 4.795 2.077 ( 1.196 0.000 0.213) 1.214 2.171 ( -0.004 0.000 2.515) 2.515 2.319 ( -0.666 0.000 -3.473) 3.536 2.332 ( 0.224 0.000 -7.695) 7.699 2.393 ( -0.636 0.000 6.782) 6.812 2.513 ( -0.024 0.000 4.129) 4.129 2.535 ( 2.938 0.000 1.907) 3.503 2.545 ( 0.827 0.000 1.939) 2.108 2.597 ( 3.012 0.000 1.322) 3.289 2.631 ( 2.654 0.000 -2.147) 3.414 2.901 ( 0.963 0.000 -0.874) 1.301 2.918 ( 1.154 0.000 1.054) 1.563 2.935 ( 1.618 0.000 -2.163) 2.702 2.941 ( 0.964 0.000 -0.553) 1.111 3.213 ( -1.551 0.000 0.868) 1.778 3.299 ( -2.325 0.000 0.220) 2.336 3.324 ( -1.664 0.000 1.374) 2.157 3.461 ( 0.020 0.000 -3.270) 3.270 3.535 ( -4.629 0.000 -0.167) 4.632 3.566 ( 0.115 0.000 -2.711) 2.713 3.601 ( 1.472 0.000 -3.293) 3.606 3.720 ( 3.370 0.000 -1.906) 3.872 3.790 ( -0.703 0.000 -4.658) 4.711 3.887 ( 2.237 0.000 -1.887) 2.927 3.905 ( 1.395 0.000 -4.961) 5.154 4.141 ( 0.794 0.000 -0.993) 1.272 4.157 ( 2.598 0.000 2.904) 3.896 4.167 ( 1.726 0.000 -1.367) 2.202 4.175 ( -0.723 0.000 -1.691) 1.839 4.360 ( -1.270 0.000 1.305) 1.822 4.437 ( 0.049 0.000 0.993) 0.994 4.464 ( -0.365 0.000 0.701) 0.791 5.236 ( 0.199 0.000 -2.336) 2.345 5.320 ( -0.592 0.000 -3.742) 3.788 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 4.821 0.000 4.115) 6.338 0.860 ( 14.971 0.000 2.639) 15.202 0.876 ( -4.408 0.000 -0.301) 4.419 0.977 ( 13.307 0.000 0.041) 13.307 1.066 ( 0.717 0.000 1.203) 1.401 1.124 ( -0.448 0.000 1.011) 1.106 1.128 ( 8.182 0.000 12.807) 15.197 1.214 ( 5.482 0.000 16.086) 16.994 1.279 ( 1.489 0.000 -0.467) 1.560 1.308 ( -0.253 0.000 1.499) 1.520 1.436 ( -0.522 0.000 -6.378) 6.399 1.463 ( 5.693 0.000 11.199) 12.563 1.481 ( 6.030 0.000 12.288) 13.688 1.597 ( -3.299 0.000 -4.256) 5.385 2.111 ( 2.434 0.000 -0.573) 2.500 2.172 ( 0.192 0.000 1.105) 1.121 2.302 ( -1.127 0.000 -2.731) 2.954 2.355 ( 1.903 0.000 -7.172) 7.420 2.363 ( -2.434 0.000 2.977) 3.846 2.519 ( -2.632 0.000 -4.610) 5.308 2.523 ( 0.802 0.000 4.686) 4.754 2.555 ( 0.235 0.000 2.295) 2.307 2.708 ( 7.619 0.000 2.183) 7.926 2.733 ( 6.037 0.000 0.555) 6.062 2.927 ( 1.922 0.000 0.277) 1.942 2.944 ( 1.378 0.000 0.648) 1.523 2.970 ( 1.814 0.000 -1.756) 2.524 2.973 ( 2.325 0.000 -0.048) 2.326 3.186 ( -0.732 0.000 1.710) 1.860 3.254 ( -2.013 0.000 2.671) 3.345 3.287 ( -2.088 0.000 1.277) 2.447 3.432 ( -5.928 0.000 0.395) 5.941 3.469 ( 0.692 0.000 -3.265) 3.337 3.558 ( -1.163 0.000 -0.554) 1.288 3.625 ( 1.039 0.000 -0.806) 1.315 3.777 ( -0.697 0.000 -4.221) 4.278 3.791 ( 3.894 0.000 -2.106) 4.426 3.931 ( 2.045 0.000 -1.975) 2.843 3.943 ( 2.600 0.000 -3.596) 4.437 4.142 ( -0.574 0.000 -3.262) 3.312 4.161 ( -0.443 0.000 -1.018) 1.110 4.221 ( 3.757 0.000 0.629) 3.809 4.224 ( 3.837 0.000 -0.110) 3.839 4.325 ( -2.343 0.000 1.341) 2.699 4.435 ( -0.365 0.000 0.752) 0.835 4.452 ( -0.943 0.000 0.527) 1.081 5.242 ( 0.448 0.000 -1.571) 1.634 5.305 ( -0.943 0.000 -2.573) 2.741 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 5.547 0.000 1.677) 5.795 0.768 ( -6.651 0.000 0.110) 6.652 1.080 ( 0.873 0.000 1.151) 1.445 1.091 ( 9.393 0.000 4.226) 10.300 1.114 ( -0.664 0.000 1.524) 1.662 1.176 ( 7.053 0.000 -1.677) 7.250 1.261 ( 4.951 0.000 14.009) 14.858 1.294 ( 2.733 0.000 17.763) 17.972 1.302 ( 0.855 0.000 -0.388) 0.938 1.311 ( 0.332 0.000 0.359) 0.489 1.442 ( 1.186 0.000 -5.367) 5.496 1.534 ( -3.251 0.000 -4.360) 5.439 1.553 ( 3.840 0.000 3.334) 5.085 1.576 ( 3.235 0.000 5.495) 6.377 2.168 ( 3.412 0.000 -0.839) 3.514 2.184 ( 1.242 0.000 0.138) 1.249 2.270 ( -2.327 0.000 -1.783) 2.931 2.306 ( -3.447 0.000 0.801) 3.539 2.396 ( 2.259 0.000 -7.896) 8.213 2.473 ( -2.080 0.000 -7.070) 7.370 2.536 ( 0.532 0.000 3.453) 3.494 2.554 ( -0.312 0.000 2.665) 2.684 2.829 ( 3.725 0.000 2.328) 4.393 2.836 ( 4.966 0.000 3.493) 6.071 2.965 ( 0.885 0.000 -0.657) 1.102 2.976 ( 3.132 0.000 1.263) 3.378 2.996 ( 0.787 0.000 -0.684) 1.043 3.017 ( 1.870 0.000 0.537) 1.945 3.197 ( 1.676 0.000 0.832) 1.871 3.230 ( -0.456 0.000 2.865) 2.901 3.251 ( -1.413 0.000 1.225) 1.870 3.321 ( -5.342 0.000 1.189) 5.472 3.479 ( 0.285 0.000 -2.843) 2.857 3.523 ( -2.218 0.000 0.577) 2.292 3.653 ( 2.257 0.000 1.001) 2.469 3.755 ( -1.799 0.000 -2.562) 3.131 3.862 ( 3.506 0.000 -2.521) 4.318 3.950 ( -0.349 0.000 -2.472) 2.496 4.001 ( 3.383 0.000 -2.144) 4.005 4.118 ( -2.045 0.000 -2.346) 3.112 4.170 ( 1.522 0.000 0.215) 1.537 4.274 ( -3.024 0.000 1.314) 3.297 4.292 ( 3.551 0.000 -0.942) 3.674 4.298 ( 3.609 0.000 -1.535) 3.922 4.420 ( -1.204 0.000 0.562) 1.329 4.427 ( -1.563 0.000 0.318) 1.595 5.253 ( 0.697 0.000 -0.850) 1.100 5.286 ( -1.024 0.000 -1.365) 1.706 ======================= Grid point 94 (35/75) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -6.619 0.000 0.558) 6.643 0.639 ( 6.619 0.000 0.558) 6.643 1.098 ( -0.948 0.000 1.406) 1.695 1.098 ( 0.948 0.000 1.406) 1.696 1.213 ( -3.057 0.000 3.508) 4.652 1.213 ( 3.057 0.000 3.507) 4.652 1.312 ( -0.234 0.000 -0.306) 0.385 1.312 ( 0.234 0.000 -0.306) 0.385 1.314 ( -1.034 0.000 13.933) 13.972 1.314 ( 1.034 0.000 13.934) 13.972 1.478 ( -2.511 0.000 -4.636) 5.272 1.478 ( 2.511 0.000 -4.636) 5.272 1.599 ( -0.733 0.000 2.001) 2.131 1.599 ( 0.733 0.000 2.001) 2.131 2.221 ( -2.512 0.000 -0.676) 2.601 2.221 ( 2.512 0.000 -0.676) 2.601 2.237 ( -3.756 0.000 -0.369) 3.774 2.237 ( 3.756 0.000 -0.369) 3.774 2.436 ( -1.935 0.000 -8.350) 8.572 2.436 ( 1.935 0.000 -8.350) 8.572 2.546 ( -0.488 0.000 2.795) 2.837 2.546 ( 0.488 0.000 2.795) 2.837 2.873 ( -0.781 0.000 4.227) 4.299 2.873 ( 0.781 0.000 4.227) 4.299 2.990 ( -1.414 0.000 -0.493) 1.497 2.990 ( 1.414 0.000 -0.493) 1.497 3.026 ( -1.353 0.000 1.158) 1.780 3.026 ( 1.353 0.000 1.158) 1.780 3.225 ( -0.724 0.000 0.525) 0.894 3.225 ( 0.724 0.000 0.525) 0.894 3.249 ( -1.742 0.000 1.410) 2.242 3.249 ( 1.742 0.000 1.410) 2.242 3.489 ( -1.085 0.000 -0.570) 1.225 3.489 ( 1.085 0.000 -0.570) 1.226 3.707 ( -3.054 0.000 -0.084) 3.055 3.707 ( 3.054 0.000 -0.084) 3.056 3.920 ( -2.491 0.000 -2.723) 3.690 3.920 ( 2.491 0.000 -2.723) 3.690 4.066 ( -3.259 0.000 -1.728) 3.689 4.066 ( 3.259 0.000 -1.728) 3.689 4.215 ( -2.977 0.000 1.052) 3.157 4.215 ( 2.977 0.000 1.052) 3.157 4.339 ( -0.379 0.000 -2.204) 2.237 4.339 ( 0.379 0.000 -2.204) 2.237 4.402 ( -0.312 0.000 0.776) 0.837 4.402 ( 0.312 0.000 0.776) 0.837 5.268 ( -0.908 0.000 -0.703) 1.148 5.268 ( 0.908 0.000 -0.703) 1.148 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 0.000 4.613 8.636) 9.791 0.523 ( 0.000 -2.407 6.249) 6.696 0.528 ( 0.000 16.157 7.196) 17.687 0.923 ( 0.000 -3.211 2.647) 4.162 0.931 ( 0.000 0.977 7.127) 7.194 1.003 ( 0.000 -2.082 6.282) 6.618 1.081 ( 0.000 1.473 4.566) 4.798 1.135 ( 0.000 -0.923 0.634) 1.120 1.153 ( 0.000 -3.301 9.308) 9.876 1.274 ( 0.000 -5.356 2.531) 5.924 1.352 ( 0.000 3.426 18.911) 19.219 1.370 ( 0.000 1.777 19.159) 19.241 1.487 ( 0.000 2.117 -7.554) 7.845 1.639 ( 0.000 -3.363 -4.796) 5.857 2.075 ( 0.000 0.922 1.036) 1.387 2.145 ( 0.000 -2.213 2.787) 3.558 2.320 ( 0.000 0.050 -2.015) 2.015 2.357 ( 0.000 1.742 -6.612) 6.838 2.396 ( 0.000 -0.805 6.135) 6.188 2.444 ( 0.000 -4.487 0.353) 4.501 2.492 ( 0.000 0.641 4.727) 4.771 2.533 ( 0.000 -0.752 4.257) 4.323 2.598 ( 0.000 5.040 0.602) 5.076 2.712 ( 0.000 5.154 -2.164) 5.590 2.847 ( 0.000 -5.489 0.653) 5.528 2.864 ( 0.000 -2.593 -1.771) 3.140 2.914 ( 0.000 -0.494 -0.852) 0.985 2.922 ( 0.000 -0.493 -0.122) 0.508 3.278 ( 0.000 4.142 0.177) 4.146 3.333 ( 0.000 0.746 -0.456) 0.874 3.386 ( 0.000 3.897 1.139) 4.060 3.457 ( 0.000 -0.117 -3.493) 3.495 3.536 ( 0.000 -2.523 -1.577) 2.975 3.584 ( 0.000 0.128 -3.978) 3.980 3.589 ( 0.000 0.007 -2.007) 2.007 3.625 ( 0.000 -5.882 -1.409) 6.048 3.774 ( 0.000 0.375 -5.183) 5.196 3.843 ( 0.000 -1.451 -2.707) 3.072 3.969 ( 0.000 4.925 -4.111) 6.415 4.123 ( 0.000 -2.551 -4.397) 5.084 4.127 ( 0.000 0.050 3.764) 3.764 4.131 ( 0.000 -0.114 3.723) 3.725 4.219 ( 0.000 2.783 -1.542) 3.181 4.342 ( 0.000 -2.656 0.987) 2.833 4.446 ( 0.000 0.737 1.131) 1.350 4.467 ( 0.000 -0.106 0.938) 0.944 5.248 ( 0.000 1.347 -2.871) 3.171 5.313 ( 0.000 -1.280 -3.981) 4.182 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 4.209 10.618 7.935) 13.908 0.586 ( 13.942 5.941 3.350) 15.520 0.691 ( 13.900 -0.952 3.021) 14.257 0.909 ( -1.245 -2.687 2.556) 3.912 0.993 ( 5.986 0.891 9.775) 11.497 1.041 ( 2.771 -0.925 5.239) 5.998 1.101 ( 1.704 -0.401 7.162) 7.373 1.119 ( 0.306 -1.289 3.412) 3.660 1.197 ( 3.066 -2.405 3.133) 5.000 1.273 ( 0.026 -4.516 1.766) 4.850 1.400 ( 4.729 3.220 17.065) 17.999 1.406 ( 3.586 1.670 17.016) 17.470 1.473 ( -1.261 2.140 -7.426) 7.830 1.618 ( -2.075 -3.193 -4.706) 6.054 2.082 ( 0.773 0.620 0.627) 1.172 2.147 ( 0.296 -2.110 2.088) 2.983 2.322 ( 0.184 0.579 -1.225) 1.367 2.349 ( -0.352 1.616 -6.506) 6.713 2.397 ( -0.138 -0.190 4.937) 4.942 2.440 ( 0.001 -4.632 1.061) 4.751 2.551 ( 4.854 1.080 2.754) 5.685 2.577 ( 1.499 2.598 2.281) 3.769 2.602 ( 3.115 0.296 1.720) 3.571 2.675 ( -2.482 2.551 -1.863) 4.017 2.865 ( 1.493 -2.840 0.459) 3.241 2.885 ( 1.750 -2.756 -1.171) 3.468 2.930 ( 1.778 0.090 -0.187) 1.790 2.944 ( 2.129 -0.259 -0.399) 2.182 3.258 ( -1.858 3.752 0.674) 4.241 3.300 ( -2.954 0.605 0.349) 3.035 3.358 ( -2.625 2.348 1.611) 3.873 3.436 ( -2.538 -1.972 -2.612) 4.142 3.533 ( -0.214 -0.040 -0.778) 0.808 3.578 ( -0.656 0.458 -2.801) 2.913 3.601 ( 1.474 0.020 -3.146) 3.474 3.665 ( 3.398 -4.682 -1.745) 6.043 3.787 ( 0.952 0.525 -4.110) 4.251 3.850 ( 0.853 -1.777 -2.872) 3.484 3.981 ( 1.220 4.518 -3.699) 5.966 4.118 ( -0.045 -2.094 -3.389) 3.984 4.156 ( 2.660 -0.105 2.708) 3.797 4.158 ( 2.552 -0.200 1.840) 3.152 4.212 ( -0.659 2.703 -1.447) 3.136 4.332 ( -1.059 -2.531 1.015) 2.925 4.445 ( -0.114 0.632 1.042) 1.224 4.463 ( -0.384 -0.106 0.858) 0.946 5.248 ( 0.074 1.233 -2.525) 2.811 5.308 ( -0.480 -1.175 -3.516) 3.739 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 2.388 10.875 5.812) 12.560 0.853 ( 0.560 -2.070 2.769) 3.502 0.894 ( 11.072 2.425 1.742) 11.467 0.968 ( 12.651 -0.800 -0.703) 12.696 1.066 ( 0.545 -0.226 2.861) 2.922 1.108 ( 0.099 -1.329 2.679) 2.993 1.132 ( 7.349 0.397 12.979) 14.921 1.186 ( 4.383 -2.214 13.101) 13.991 1.254 ( 2.768 -1.571 -0.015) 3.183 1.290 ( 2.149 -1.716 1.853) 3.316 1.446 ( -0.801 1.565 -5.133) 5.426 1.490 ( 4.381 1.766 8.154) 9.424 1.508 ( 5.518 1.849 11.095) 12.529 1.569 ( -2.844 -2.620 -4.663) 6.058 2.104 ( 1.534 -0.192 0.153) 1.553 2.158 ( 0.843 -1.741 0.562) 2.014 2.314 ( -1.138 1.776 -0.007) 2.109 2.363 ( 1.680 0.802 -6.924) 7.170 2.379 ( -1.540 0.737 1.101) 2.031 2.448 ( 0.524 -3.712 -0.231) 3.756 2.562 ( -0.951 1.593 0.853) 2.042 2.585 ( -2.008 1.984 -0.008) 2.823 2.708 ( 7.231 -0.060 2.540) 7.664 2.723 ( 6.182 -0.960 1.096) 6.352 2.902 ( 2.545 -1.283 1.071) 3.044 2.921 ( 2.034 -2.128 -0.635) 3.012 2.973 ( 2.337 1.038 0.394) 2.587 2.991 ( 2.577 0.271 -0.627) 2.666 3.223 ( -1.294 3.097 1.804) 3.810 3.242 ( -2.777 -0.058 1.584) 3.197 3.301 ( -3.081 0.262 2.349) 3.884 3.364 ( -4.604 -3.755 -0.646) 5.976 3.530 ( -0.073 3.195 -2.236) 3.900 3.567 ( -0.803 0.735 -1.564) 1.905 3.630 ( 1.537 0.615 -0.785) 1.832 3.732 ( 3.247 -3.512 -2.250) 5.286 3.802 ( 0.791 0.758 -2.548) 2.773 3.875 ( 1.527 -2.722 -3.172) 4.450 4.013 ( 2.002 3.699 -2.644) 4.968 4.118 ( -0.073 -1.699 -2.808) 3.283 4.193 ( -0.734 2.248 -0.800) 2.497 4.220 ( 3.789 -0.070 0.564) 3.832 4.224 ( 3.657 0.085 -0.051) 3.658 4.302 ( -2.007 -2.152 1.057) 3.127 4.439 ( -0.544 0.386 0.781) 1.027 4.451 ( -0.940 -0.082 0.623) 1.131 5.251 ( 0.235 0.922 -1.706) 1.953 5.296 ( -0.743 -0.885 -2.414) 2.676 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 3.125 7.413 3.889) 8.935 0.779 ( -5.099 0.498 2.601) 5.746 1.076 ( 0.912 -0.516 2.478) 2.690 1.098 ( 2.945 -0.728 2.921) 4.211 1.115 ( 5.566 1.105 3.274) 6.551 1.168 ( 7.302 -0.916 -1.767) 7.568 1.236 ( 2.798 -1.651 9.155) 9.714 1.241 ( 1.356 -2.375 9.779) 10.155 1.312 ( 3.438 0.941 3.442) 4.955 1.343 ( 2.402 0.874 6.616) 7.092 1.443 ( 0.610 0.337 -5.797) 5.839 1.512 ( -2.618 -1.973 -4.269) 5.382 1.567 ( 3.218 1.203 3.074) 4.610 1.589 ( 2.592 0.776 4.315) 5.093 2.138 ( 1.935 -1.180 0.252) 2.280 2.176 ( 0.810 -2.044 -0.338) 2.225 2.288 ( -1.142 2.668 -0.123) 2.904 2.338 ( -2.567 1.579 -0.803) 3.119 2.403 ( 2.107 0.672 -7.773) 8.081 2.451 ( -0.266 -1.705 -5.621) 5.880 2.546 ( -0.619 0.425 1.946) 2.086 2.555 ( -1.011 0.216 1.474) 1.800 2.825 ( 4.050 -0.267 2.864) 4.967 2.832 ( 4.754 -0.450 3.755) 6.075 2.956 ( 2.386 -0.410 0.387) 2.452 2.963 ( 2.968 -0.812 0.811) 3.183 3.009 ( 1.314 1.129 0.205) 1.744 3.029 ( 1.142 0.439 -0.198) 1.239 3.200 ( -1.686 -1.448 1.345) 2.597 3.215 ( -0.411 1.272 1.432) 1.959 3.253 ( -1.367 -1.215 1.768) 2.544 3.284 ( -3.007 -1.845 0.857) 3.631 3.524 ( -0.562 2.946 -2.399) 3.840 3.543 ( -1.575 1.413 -0.365) 2.148 3.668 ( 2.648 1.755 0.755) 3.265 3.760 ( -0.646 0.269 -2.135) 2.247 3.834 ( 2.646 -2.250 -1.618) 3.832 3.895 ( 0.331 -3.477 -2.949) 4.572 4.051 ( 1.972 2.950 -1.771) 3.966 4.113 ( -0.641 -0.491 -1.867) 2.034 4.182 ( 0.137 1.206 -0.021) 1.214 4.255 ( -2.434 -1.692 0.924) 3.105 4.294 ( 3.453 0.129 -0.874) 3.564 4.298 ( 3.602 -0.028 -1.464) 3.888 4.422 ( -1.325 0.149 0.544) 1.440 4.427 ( -1.581 -0.052 0.362) 1.623 5.258 ( 0.442 0.492 -0.919) 1.132 5.282 ( -0.772 -0.466 -1.282) 1.567 ======================= Grid point 103 (40/75) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -4.596 3.684 2.872) 6.554 0.684 ( 4.597 3.684 2.872) 6.554 1.093 ( -0.773 -0.672 2.611) 2.805 1.093 ( 0.773 -0.672 2.611) 2.805 1.222 ( -2.833 0.531 3.739) 4.721 1.222 ( 2.833 0.530 3.739) 4.721 1.252 ( -1.053 -2.541 4.625) 5.382 1.252 ( 1.053 -2.542 4.625) 5.381 1.357 ( -0.930 1.552 6.990) 7.220 1.357 ( 0.930 1.552 6.990) 7.220 1.468 ( -1.927 -0.878 -4.920) 5.356 1.468 ( 1.927 -0.878 -4.920) 5.356 1.606 ( -0.681 0.547 1.575) 1.802 1.606 ( 0.681 0.547 1.575) 1.802 2.172 ( -1.338 -2.213 0.216) 2.595 2.172 ( 1.338 -2.213 0.216) 2.595 2.292 ( -1.758 2.778 -1.071) 3.458 2.292 ( 1.758 2.778 -1.071) 3.458 2.436 ( -1.303 0.031 -8.440) 8.541 2.436 ( 1.303 0.031 -8.440) 8.541 2.543 ( -0.278 -0.282 2.468) 2.499 2.543 ( 0.278 -0.282 2.468) 2.499 2.870 ( -0.502 -0.209 4.550) 4.582 2.870 ( 0.502 -0.209 4.550) 4.582 2.993 ( -1.048 0.368 0.542) 1.236 2.993 ( 1.048 0.368 0.542) 1.236 3.029 ( -1.161 0.202 0.583) 1.315 3.029 ( 1.161 0.202 0.583) 1.315 3.187 ( -0.830 -2.604 1.164) 2.971 3.187 ( 0.830 -2.604 1.164) 2.971 3.258 ( -0.715 0.456 0.227) 0.878 3.258 ( 0.715 0.456 0.227) 0.878 3.520 ( -0.478 2.186 -0.739) 2.356 3.520 ( 0.478 2.185 -0.739) 2.356 3.723 ( -2.814 1.788 -0.194) 3.340 3.723 ( 2.815 1.788 -0.194) 3.340 3.881 ( -1.828 -3.405 -2.324) 4.510 3.881 ( 1.828 -3.406 -2.324) 4.510 4.088 ( -1.819 1.615 -1.518) 2.867 4.088 ( 1.820 1.615 -1.518) 2.867 4.207 ( -2.261 -0.709 0.780) 2.494 4.207 ( 2.261 -0.709 0.780) 2.494 4.340 ( -0.271 0.132 -2.197) 2.217 4.340 ( 0.271 0.132 -2.197) 2.217 4.402 ( -0.230 -0.048 0.796) 0.830 4.402 ( 0.230 -0.048 0.796) 0.831 5.268 ( -0.641 0.013 -0.699) 0.948 5.268 ( 0.641 0.013 -0.699) 0.948 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 0.000 -4.512 6.407) 7.836 0.453 ( 0.000 4.512 6.407) 7.836 0.802 ( 0.000 -10.109 6.506) 12.021 0.802 ( 0.000 10.109 6.506) 12.021 0.961 ( 0.000 -2.015 7.749) 8.007 0.961 ( 0.000 2.015 7.749) 8.007 1.111 ( 0.000 -1.457 1.876) 2.375 1.111 ( 0.000 1.457 1.876) 2.375 1.158 ( 0.000 -4.253 5.715) 7.124 1.158 ( 0.000 4.253 5.715) 7.124 1.389 ( 0.000 -0.397 17.344) 17.348 1.389 ( 0.000 0.397 17.344) 17.348 1.558 ( 0.000 -4.448 -6.133) 7.576 1.558 ( 0.000 4.448 -6.133) 7.576 2.102 ( 0.000 -1.858 1.873) 2.638 2.102 ( 0.000 1.858 1.873) 2.638 2.344 ( 0.000 -2.586 1.913) 3.217 2.344 ( 0.000 2.586 1.913) 3.217 2.396 ( 0.000 -1.752 -3.188) 3.638 2.396 ( 0.000 1.753 -3.188) 3.638 2.512 ( 0.000 -1.208 4.661) 4.815 2.512 ( 0.000 1.208 4.661) 4.815 2.720 ( 0.000 -6.808 0.549) 6.830 2.720 ( 0.000 6.808 0.549) 6.830 2.800 ( 0.000 -3.771 -1.406) 4.025 2.800 ( 0.000 3.771 -1.406) 4.025 2.912 ( 0.000 -0.402 -0.201) 0.450 2.912 ( 0.000 0.402 -0.201) 0.450 3.339 ( 0.000 -0.989 0.143) 1.000 3.339 ( 0.000 0.989 0.143) 1.000 3.469 ( 0.000 -4.070 0.216) 4.076 3.469 ( 0.000 4.070 0.216) 4.076 3.500 ( 0.000 -5.222 -2.624) 5.844 3.500 ( 0.000 5.222 -2.624) 5.844 3.587 ( 0.000 -0.151 -3.366) 3.370 3.587 ( 0.000 0.151 -3.366) 3.370 3.805 ( 0.000 -2.138 -3.210) 3.857 3.805 ( 0.000 2.138 -3.210) 3.857 4.058 ( 0.000 -3.972 -4.147) 5.742 4.058 ( 0.000 3.972 -4.147) 5.742 4.128 ( 0.000 -0.111 3.745) 3.747 4.128 ( 0.000 0.111 3.745) 3.747 4.281 ( 0.000 -3.306 -0.050) 3.306 4.281 ( 0.000 3.306 -0.050) 3.306 4.460 ( 0.000 -0.610 1.158) 1.309 4.460 ( 0.000 0.610 1.158) 1.309 5.281 ( 0.000 -1.833 -3.404) 3.866 5.281 ( 0.000 1.833 -3.404) 3.866 ======================= Grid point 110 (42/75) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 13.546 -3.257 4.392) 14.608 0.622 ( 13.546 3.257 4.392) 14.608 0.805 ( 1.064 -8.572 4.959) 9.960 0.805 ( 1.064 8.572 4.959) 9.960 1.016 ( 4.880 -1.290 10.196) 11.377 1.016 ( 4.880 1.290 10.196) 11.377 1.103 ( -0.218 -0.432 3.758) 3.789 1.103 ( -0.218 0.433 3.758) 3.789 1.189 ( 2.683 -2.173 1.751) 3.871 1.189 ( 2.683 2.173 1.751) 3.871 1.429 ( 3.946 -0.250 15.265) 15.769 1.429 ( 3.947 0.250 15.265) 15.769 1.541 ( -1.593 -4.214 -5.917) 7.437 1.541 ( -1.593 4.214 -5.917) 7.437 2.105 ( 0.395 -1.780 1.422) 2.312 2.105 ( 0.395 1.780 1.422) 2.312 2.353 ( 0.896 -2.622 0.688) 2.855 2.353 ( 0.896 2.622 0.688) 2.855 2.387 ( -0.534 -1.525 -1.492) 2.199 2.387 ( -0.534 1.524 -1.492) 2.199 2.574 ( 5.688 -1.203 3.026) 6.554 2.574 ( 5.688 1.203 3.026) 6.554 2.667 ( -3.787 -3.499 -0.342) 5.167 2.667 ( -3.787 3.499 -0.342) 5.167 2.841 ( 2.750 -1.104 -0.181) 2.969 2.841 ( 2.750 1.104 -0.181) 2.969 2.936 ( 2.312 -0.473 -0.114) 2.363 2.936 ( 2.312 0.473 -0.114) 2.363 3.310 ( -2.626 -0.533 0.987) 2.856 3.310 ( -2.626 0.533 0.987) 2.856 3.399 ( -4.704 -1.891 -0.278) 5.077 3.399 ( -4.704 1.891 -0.278) 5.077 3.550 ( 2.338 -2.320 -2.265) 3.997 3.550 ( 2.338 2.320 -2.265) 3.997 3.608 ( 2.127 -0.811 -2.526) 3.400 3.608 ( 2.127 0.811 -2.526) 3.400 3.813 ( 0.707 -1.842 -2.918) 3.522 3.813 ( 0.707 1.842 -2.918) 3.523 4.062 ( 0.462 -3.571 -3.726) 5.182 4.062 ( 0.462 3.571 -3.726) 5.182 4.156 ( 2.662 -0.068 2.527) 3.671 4.156 ( 2.662 0.068 2.527) 3.671 4.273 ( -0.853 -3.236 0.010) 3.346 4.273 ( -0.853 3.236 0.010) 3.346 4.457 ( -0.300 -0.531 1.055) 1.219 4.457 ( -0.300 0.531 1.055) 1.219 5.279 ( -0.208 -1.683 -3.002) 3.448 5.279 ( -0.208 1.683 -3.002) 3.448 ======================= Grid point 112 (43/75) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.491 -7.908 6.562) 10.288 0.758 ( 0.491 7.909 6.562) 10.288 0.943 ( 12.065 -1.963 0.049) 12.224 0.943 ( 12.065 1.963 0.049) 12.224 1.074 ( 0.598 -1.606 4.928) 5.218 1.074 ( 0.599 1.606 4.929) 5.218 1.149 ( 4.886 -1.384 10.810) 11.943 1.149 ( 4.886 1.384 10.810) 11.944 1.252 ( 4.124 -1.469 0.552) 4.413 1.252 ( 4.124 1.469 0.552) 4.413 1.496 ( -0.619 -2.685 -1.064) 2.954 1.496 ( -0.619 2.685 -1.064) 2.954 1.526 ( 3.173 -0.662 4.776) 5.772 1.526 ( 3.174 0.662 4.777) 5.773 2.118 ( 0.948 -1.666 0.660) 2.028 2.118 ( 0.948 1.666 0.660) 2.028 2.362 ( -0.645 -2.272 0.368) 2.390 2.362 ( -0.645 2.272 0.368) 2.390 2.390 ( 1.305 -1.632 -3.132) 3.766 2.390 ( 1.305 1.632 -3.133) 3.766 2.596 ( -2.892 -1.113 -0.691) 3.175 2.596 ( -2.892 1.113 -0.691) 3.175 2.707 ( 7.130 -0.266 2.591) 7.591 2.707 ( 7.130 0.266 2.591) 7.591 2.893 ( 2.936 -0.497 0.674) 3.053 2.893 ( 2.936 0.497 0.674) 3.053 2.988 ( 2.785 -0.524 -0.144) 2.838 2.988 ( 2.785 0.524 -0.144) 2.838 3.258 ( -2.533 -1.021 2.556) 3.740 3.258 ( -2.533 1.021 2.556) 3.740 3.307 ( -4.593 -2.015 0.134) 5.017 3.307 ( -4.593 2.015 0.134) 5.017 3.571 ( -0.065 -0.792 -2.532) 2.654 3.571 ( -0.065 0.792 -2.532) 2.654 3.663 ( 3.376 -2.977 -0.936) 4.598 3.663 ( 3.376 2.977 -0.936) 4.598 3.828 ( 0.735 -1.934 -2.682) 3.388 3.828 ( 0.734 1.934 -2.682) 3.388 4.076 ( 0.932 -2.636 -2.674) 3.869 4.076 ( 0.932 2.636 -2.674) 3.869 4.218 ( 3.477 -0.143 0.424) 3.506 4.218 ( 3.477 0.143 0.424) 3.506 4.251 ( -1.128 -2.735 0.124) 2.961 4.251 ( -1.128 2.735 0.124) 2.961 4.447 ( -0.807 -0.340 0.763) 1.161 4.447 ( -0.807 0.340 0.763) 1.161 5.274 ( -0.259 -1.268 -2.047) 2.422 5.274 ( -0.259 1.268 -2.047) 2.422 ======================= Grid point 114 (44/75) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -1.152 -4.762 5.607) 7.446 0.745 ( -1.152 4.762 5.607) 7.446 1.073 ( 0.826 -0.784 4.671) 4.808 1.073 ( 0.827 0.784 4.672) 4.809 1.144 ( 7.036 -1.421 0.823) 7.225 1.144 ( 7.036 1.421 0.823) 7.225 1.219 ( 2.248 -0.135 5.742) 6.168 1.219 ( 2.248 0.135 5.742) 6.168 1.336 ( 3.881 -1.217 5.775) 7.064 1.336 ( 3.881 1.217 5.775) 7.064 1.468 ( -1.256 -2.151 -5.236) 5.798 1.468 ( -1.256 2.151 -5.236) 5.798 1.589 ( 2.423 -0.760 3.219) 4.100 1.589 ( 2.423 0.760 3.219) 4.100 2.138 ( 0.975 -1.208 0.447) 1.615 2.138 ( 0.975 1.208 0.447) 1.615 2.339 ( -1.394 -1.680 -0.531) 2.247 2.339 ( -1.394 1.680 -0.531) 2.247 2.421 ( 1.526 -1.170 -6.471) 6.750 2.421 ( 1.526 1.170 -6.471) 6.750 2.554 ( -1.548 -0.415 0.815) 1.798 2.554 ( -1.548 0.415 0.814) 1.798 2.823 ( 4.544 -0.205 3.716) 5.873 2.823 ( 4.544 0.205 3.716) 5.873 2.955 ( 3.395 -0.192 1.067) 3.564 2.955 ( 3.395 0.192 1.067) 3.564 3.027 ( 1.082 -0.560 -0.036) 1.219 3.027 ( 1.082 0.560 -0.036) 1.219 3.200 ( -3.669 -1.497 1.207) 4.143 3.200 ( -3.670 1.497 1.207) 4.143 3.258 ( -0.257 -1.410 1.228) 1.887 3.258 ( -0.258 1.410 1.228) 1.887 3.557 ( -1.073 -0.285 -1.624) 1.967 3.557 ( -1.073 0.285 -1.624) 1.967 3.726 ( 3.046 -3.570 -0.441) 4.714 3.726 ( 3.046 3.571 -0.441) 4.714 3.833 ( -0.283 -2.405 -2.289) 3.332 3.833 ( -0.283 2.406 -2.289) 3.332 4.095 ( 1.027 -1.450 -1.552) 2.359 4.095 ( 1.027 1.450 -1.552) 2.359 4.215 ( -1.574 -2.075 0.301) 2.622 4.215 ( -1.574 2.075 0.301) 2.622 4.297 ( 3.622 -0.106 -1.177) 3.810 4.297 ( 3.622 0.106 -1.177) 3.810 4.425 ( -1.516 -0.151 0.465) 1.593 4.425 ( -1.516 0.151 0.465) 1.593 5.270 ( -0.166 -0.674 -1.093) 1.295 5.270 ( -0.166 0.674 -1.093) 1.295 ======================= Grid point 116 (45/75) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.000 0.000 5.296) 5.296 0.731 ( 0.000 0.000 5.296) 5.296 1.080 ( 0.000 0.000 4.147) 4.147 1.080 ( -0.000 -0.000 4.147) 4.147 1.217 ( 0.000 -0.000 8.617) 8.617 1.217 ( 0.001 0.000 8.618) 8.618 1.238 ( -0.000 -0.000 -3.076) 3.076 1.238 ( -0.000 0.000 -3.076) 3.076 1.374 ( 0.000 0.000 8.085) 8.085 1.374 ( 0.000 -0.000 8.086) 8.086 1.456 ( 0.000 0.000 -5.882) 5.882 1.456 ( 0.000 0.000 -5.882) 5.882 1.613 ( 0.000 -0.000 1.205) 1.205 1.613 ( 0.000 0.000 1.205) 1.205 2.149 ( 0.000 0.000 0.611) 0.611 2.149 ( 0.000 0.000 0.611) 0.611 2.323 ( 0.000 -0.000 -1.275) 1.275 2.323 ( 0.000 0.000 -1.275) 1.275 2.437 ( 0.000 0.000 -8.606) 8.606 2.437 ( 0.000 0.000 -8.606) 8.606 2.538 ( 0.000 0.000 2.219) 2.219 2.538 ( -0.000 0.000 2.219) 2.219 2.868 ( 0.000 -0.000 4.920) 4.920 2.868 ( 0.000 0.000 4.920) 4.920 3.000 ( 0.000 -0.000 1.420) 1.420 3.000 ( 0.000 0.000 1.420) 1.420 3.030 ( -0.000 0.000 0.301) 0.301 3.030 ( -0.000 0.000 0.301) 0.301 3.156 ( 0.000 0.000 0.772) 0.772 3.156 ( 0.000 0.000 0.772) 0.772 3.263 ( 0.000 -0.000 -0.055) 0.055 3.263 ( 0.000 0.000 -0.055) 0.055 3.544 ( 0.000 -0.000 -0.854) 0.854 3.544 ( 0.000 0.000 -0.854) 0.854 3.762 ( 0.000 -0.000 -0.723) 0.723 3.762 ( 0.000 0.000 -0.723) 0.723 3.824 ( 0.000 0.000 -1.642) 1.642 3.824 ( 0.000 0.000 -1.642) 1.642 4.108 ( 0.000 0.000 -1.222) 1.222 4.108 ( 0.000 0.000 -1.221) 1.221 4.197 ( 0.000 -0.000 0.455) 0.455 4.197 ( 0.000 0.000 0.455) 0.455 4.342 ( -0.000 -0.000 -2.200) 2.200 4.342 ( 0.000 0.000 -2.200) 2.200 4.401 ( -0.000 0.000 0.820) 0.820 4.401 ( 0.000 0.000 0.820) 0.820 5.268 ( 0.000 0.000 -0.695) 0.695 5.268 ( 0.000 0.000 -0.695) 0.695 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 0.000 7.562) 7.562 0.491 ( 0.000 0.000 7.667) 7.667 0.641 ( 0.000 0.000 3.134) 3.134 0.977 ( 0.000 0.000 3.913) 3.913 1.024 ( 0.000 0.000 4.023) 4.023 1.065 ( 0.000 0.000 1.472) 1.472 1.147 ( 0.000 0.000 0.023) 0.023 1.207 ( 0.000 0.000 -3.007) 3.007 1.208 ( 0.000 0.000 5.533) 5.533 1.297 ( 0.000 0.000 -5.738) 5.738 1.394 ( 0.000 0.000 0.495) 0.495 1.604 ( 0.000 0.000 -2.580) 2.580 1.721 ( 0.000 0.000 16.478) 16.478 1.763 ( 0.000 0.000 18.888) 18.888 2.078 ( 0.000 0.000 0.506) 0.506 2.192 ( 0.000 0.000 -5.280) 5.280 2.226 ( 0.000 0.000 2.253) 2.253 2.246 ( 0.000 0.000 -4.676) 4.676 2.535 ( 0.000 0.000 0.262) 0.262 2.556 ( 0.000 0.000 -0.966) 0.966 2.564 ( 0.000 0.000 8.144) 8.144 2.569 ( 0.000 0.000 2.640) 2.640 2.619 ( 0.000 0.000 5.005) 5.005 2.620 ( 0.000 0.000 3.082) 3.082 2.839 ( 0.000 0.000 -4.047) 4.047 2.862 ( 0.000 0.000 -3.216) 3.216 2.906 ( 0.000 0.000 -2.033) 2.033 2.922 ( 0.000 0.000 0.709) 0.709 3.185 ( 0.000 0.000 -4.106) 4.106 3.301 ( 0.000 0.000 -10.336) 10.336 3.353 ( 0.000 0.000 1.645) 1.645 3.366 ( 0.000 0.000 1.031) 1.031 3.501 ( 0.000 0.000 -2.307) 2.307 3.516 ( 0.000 0.000 -2.625) 2.625 3.589 ( 0.000 0.000 0.063) 0.063 3.639 ( 0.000 0.000 -1.691) 1.691 3.753 ( 0.000 0.000 -1.579) 1.579 3.834 ( 0.000 0.000 -0.980) 0.980 3.841 ( 0.000 0.000 0.667) 0.667 4.079 ( 0.000 0.000 -2.986) 2.986 4.156 ( 0.000 0.000 -0.870) 0.870 4.186 ( 0.000 0.000 2.282) 2.282 4.190 ( 0.000 0.000 2.186) 2.186 4.389 ( 0.000 0.000 0.503) 0.503 4.448 ( 0.000 0.000 0.311) 0.311 4.469 ( 0.000 0.000 -0.442) 0.442 5.187 ( 0.000 0.000 -1.816) 1.816 5.250 ( 0.000 0.000 -3.365) 3.365 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.884 0.000 6.633) 6.691 0.641 ( 13.172 0.000 5.023) 14.097 0.760 ( 10.839 0.000 1.978) 11.018 0.964 ( -1.512 0.000 4.093) 4.363 1.076 ( 0.861 0.000 1.225) 1.497 1.111 ( 8.349 0.000 4.401) 9.438 1.144 ( -0.275 0.000 0.289) 0.399 1.214 ( 0.638 0.000 -4.021) 4.071 1.270 ( 6.094 0.000 5.462) 8.184 1.302 ( 0.615 0.000 -4.790) 4.829 1.375 ( -1.792 0.000 0.391) 1.835 1.584 ( -2.010 0.000 -2.342) 3.086 1.721 ( -0.030 0.000 15.717) 15.717 1.766 ( 0.223 0.000 17.565) 17.566 2.084 ( 0.710 0.000 0.387) 0.809 2.197 ( 0.380 0.000 -5.610) 5.623 2.216 ( -0.900 0.000 1.550) 1.792 2.241 ( -0.344 0.000 -4.771) 4.783 2.478 ( -3.919 0.000 1.931) 4.368 2.516 ( -3.544 0.000 -1.334) 3.787 2.601 ( 1.796 0.000 5.133) 5.438 2.616 ( -0.334 0.000 4.693) 4.704 2.620 ( 4.858 0.000 1.659) 5.133 2.665 ( 4.437 0.000 2.830) 5.263 2.862 ( 2.284 0.000 -3.071) 3.828 2.875 ( 1.387 0.000 -3.249) 3.533 2.918 ( 1.361 0.000 -1.737) 2.207 2.944 ( 1.974 0.000 1.813) 2.680 3.181 ( -0.281 0.000 -3.153) 3.166 3.320 ( 0.652 0.000 -9.004) 9.028 3.339 ( 0.029 0.000 1.567) 1.568 3.348 ( -1.745 0.000 0.993) 2.008 3.520 ( 1.368 0.000 -1.854) 2.304 3.531 ( -4.348 0.000 -0.176) 4.351 3.546 ( 3.027 0.000 -2.298) 3.800 3.689 ( 3.470 0.000 -1.242) 3.685 3.751 ( -0.308 0.000 -0.940) 0.989 3.855 ( 1.675 0.000 0.431) 1.729 3.858 ( 2.198 0.000 -1.023) 2.424 4.076 ( -0.114 0.000 -3.026) 3.028 4.152 ( -0.398 0.000 -0.757) 0.855 4.197 ( 1.120 0.000 1.581) 1.937 4.204 ( 1.352 0.000 1.737) 2.202 4.377 ( -1.231 0.000 0.521) 1.337 4.447 ( -0.132 0.000 0.228) 0.263 4.465 ( -0.417 0.000 -0.423) 0.594 5.195 ( 0.758 0.000 -1.595) 1.766 5.252 ( 0.259 0.000 -2.998) 3.009 ======================= Grid point 137 (48/75) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 1.951 0.000 4.528) 4.930 0.903 ( 13.102 0.000 2.136) 13.275 0.909 ( -4.507 0.000 3.733) 5.852 0.984 ( 11.317 0.000 0.481) 11.327 1.088 ( 0.472 0.000 0.808) 0.936 1.144 ( 0.273 0.000 0.682) 0.735 1.228 ( 0.786 0.000 -5.091) 5.151 1.300 ( 10.519 0.000 5.279) 11.769 1.315 ( -0.071 0.000 -1.806) 1.807 1.347 ( -0.025 0.000 -1.208) 1.208 1.412 ( 8.123 0.000 5.101) 9.592 1.535 ( -2.991 0.000 -1.814) 3.498 1.714 ( -0.832 0.000 14.369) 14.393 1.765 ( -0.604 0.000 14.361) 14.374 2.108 ( 1.951 0.000 0.101) 1.954 2.190 ( -0.911 0.000 -0.745) 1.176 2.209 ( 0.107 0.000 -4.993) 4.995 2.240 ( 0.352 0.000 -5.688) 5.698 2.399 ( -4.352 0.000 0.965) 4.458 2.434 ( -4.720 0.000 -3.162) 5.681 2.606 ( -0.532 0.000 3.566) 3.606 2.620 ( 0.127 0.000 3.845) 3.847 2.737 ( 6.785 0.000 0.680) 6.819 2.775 ( 6.802 0.000 2.780) 7.348 2.908 ( 1.754 0.000 -2.798) 3.302 2.918 ( 3.476 0.000 -1.072) 3.637 2.960 ( 2.854 0.000 -1.248) 3.115 2.984 ( 1.899 0.000 2.857) 3.431 3.181 ( 0.423 0.000 -1.338) 1.403 3.296 ( -1.713 0.000 -0.721) 1.858 3.309 ( -2.180 0.000 0.902) 2.360 3.385 ( 3.227 0.000 -3.337) 4.642 3.440 ( -5.091 0.000 0.426) 5.109 3.547 ( 1.252 0.000 -1.168) 1.712 3.605 ( 2.673 0.000 -0.997) 2.853 3.738 ( -0.991 0.000 -0.377) 1.060 3.756 ( 3.590 0.000 -1.376) 3.844 3.900 ( 1.770 0.000 -1.145) 2.108 3.907 ( 3.618 0.000 0.225) 3.625 4.078 ( 0.210 0.000 -3.000) 3.008 4.149 ( 0.375 0.000 -0.354) 0.516 4.227 ( 1.904 0.000 0.085) 1.906 4.235 ( 1.854 0.000 0.500) 1.921 4.343 ( -2.301 0.000 0.565) 2.369 4.441 ( -0.506 0.000 0.140) 0.525 4.453 ( -0.883 0.000 -0.259) 0.921 5.214 ( 1.203 0.000 -1.082) 1.618 5.258 ( 0.288 0.000 -2.098) 2.118 ======================= Grid point 138 (49/75) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 3.912 0.000 2.702) 4.755 0.796 ( -6.909 0.000 2.595) 7.381 1.102 ( 1.129 0.000 1.100) 1.576 1.109 ( 8.214 0.000 0.297) 8.219 1.144 ( -0.468 0.000 1.227) 1.313 1.155 ( 6.160 0.000 -0.482) 6.179 1.245 ( 1.120 0.000 -4.797) 4.926 1.295 ( -1.349 0.000 -2.163) 2.549 1.377 ( 2.310 0.000 -1.256) 2.629 1.477 ( -2.972 0.000 -1.246) 3.222 1.482 ( 8.213 0.000 6.197) 10.289 1.556 ( 6.568 0.000 3.896) 7.637 1.685 ( -2.264 0.000 14.197) 14.376 1.737 ( -2.374 0.000 11.614) 11.855 2.159 ( 3.333 0.000 -0.149) 3.337 2.182 ( 0.169 0.000 -1.459) 1.469 2.206 ( -0.388 0.000 -5.051) 5.066 2.254 ( 1.087 0.000 -6.755) 6.842 2.315 ( -4.471 0.000 0.216) 4.477 2.348 ( -4.140 0.000 -4.718) 6.277 2.598 ( -0.189 0.000 2.898) 2.904 2.613 ( -0.717 0.000 2.762) 2.854 2.853 ( 5.026 0.000 -0.052) 5.026 2.903 ( 6.017 0.000 2.213) 6.411 2.931 ( 0.498 0.000 -1.990) 2.051 2.987 ( 3.476 0.000 -0.087) 3.477 3.006 ( 0.274 0.000 2.658) 2.672 3.014 ( 2.406 0.000 -0.759) 2.523 3.199 ( 1.413 0.000 -0.220) 1.430 3.263 ( -1.696 0.000 -0.109) 1.700 3.273 ( -1.256 0.000 0.960) 1.581 3.345 ( -4.693 0.000 1.106) 4.821 3.449 ( 3.402 0.000 0.075) 3.403 3.554 ( -0.964 0.000 1.466) 1.754 3.645 ( 1.966 0.000 -1.346) 2.383 3.717 ( -1.277 0.000 -1.365) 1.869 3.822 ( 3.304 0.000 -1.519) 3.636 3.911 ( -0.710 0.000 -1.406) 1.575 3.982 ( 3.964 0.000 0.256) 3.972 4.076 ( -0.652 0.000 -1.927) 2.034 4.174 ( 2.336 0.000 0.216) 2.346 4.265 ( 1.887 0.000 -1.681) 2.528 4.270 ( 1.659 0.000 -1.376) 2.156 4.292 ( -3.065 0.000 0.592) 3.122 4.428 ( -0.770 0.000 0.427) 0.880 4.433 ( -1.069 0.000 0.285) 1.106 5.237 ( 1.134 0.000 -0.631) 1.298 5.261 ( -0.048 0.000 -1.145) 1.146 ======================= Grid point 139 (50/75) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -6.268 0.000 2.079) 6.604 0.667 ( 6.268 0.000 2.079) 6.604 1.126 ( -1.251 0.000 1.395) 1.873 1.126 ( 1.251 0.000 1.395) 1.874 1.202 ( -1.322 0.000 -0.730) 1.511 1.202 ( 1.323 0.000 -0.730) 1.511 1.269 ( -1.326 0.000 -3.812) 4.036 1.269 ( 1.326 0.000 -3.812) 4.036 1.424 ( -2.604 0.000 -0.924) 2.763 1.424 ( 2.604 0.000 -0.924) 2.763 1.602 ( -3.997 0.000 4.459) 5.988 1.602 ( 3.997 0.000 4.459) 5.989 1.677 ( -3.506 0.000 13.070) 13.532 1.677 ( 3.506 0.000 13.070) 13.532 2.194 ( -0.860 0.000 -3.333) 3.442 2.194 ( 0.860 0.000 -3.333) 3.442 2.231 ( -4.206 0.000 -0.143) 4.209 2.231 ( 4.206 0.000 -0.143) 4.209 2.285 ( -2.392 0.000 -6.239) 6.682 2.285 ( 2.392 0.000 -6.239) 6.682 2.600 ( -0.452 0.000 2.553) 2.593 2.600 ( 0.452 0.000 2.553) 2.593 2.919 ( -1.939 0.000 -0.811) 2.102 2.919 ( 1.939 0.000 -0.811) 2.102 2.986 ( -2.614 0.000 1.913) 3.240 2.986 ( 2.614 0.000 1.913) 3.240 3.032 ( -0.830 0.000 -0.326) 0.892 3.032 ( 0.830 0.000 -0.326) 0.892 3.230 ( -1.792 0.000 -0.028) 1.792 3.230 ( 1.792 0.000 -0.027) 1.792 3.277 ( -1.991 0.000 1.288) 2.372 3.277 ( 1.991 0.000 1.288) 2.372 3.511 ( -3.084 0.000 2.543) 3.997 3.511 ( 3.083 0.000 2.543) 3.997 3.686 ( -2.067 0.000 -2.082) 2.934 3.686 ( 2.067 0.000 -2.082) 2.934 3.879 ( -2.512 0.000 -1.536) 2.944 3.879 ( 2.512 0.000 -1.536) 2.944 4.046 ( -2.579 0.000 -0.406) 2.611 4.046 ( 2.579 0.000 -0.406) 2.611 4.230 ( -3.277 0.000 0.524) 3.318 4.230 ( 3.277 0.000 0.524) 3.318 4.287 ( -0.170 0.000 -2.679) 2.684 4.287 ( 0.170 0.000 -2.679) 2.684 4.420 ( -0.139 0.000 0.872) 0.883 4.420 ( 0.139 0.000 0.872) 0.883 5.254 ( -0.636 0.000 -0.599) 0.873 5.254 ( 0.636 0.000 -0.599) 0.873 ======================= Grid point 144 (51/75) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.000 2.342 6.744) 7.139 0.622 ( 0.000 -1.937 3.630) 4.115 0.668 ( 0.000 14.852 6.584) 16.246 0.995 ( 0.000 0.988 5.490) 5.578 1.036 ( 0.000 1.085 3.675) 3.831 1.065 ( 0.000 -0.042 1.600) 1.601 1.148 ( 0.000 0.163 0.748) 0.765 1.192 ( 0.000 -1.468 4.932) 5.146 1.196 ( 0.000 -1.511 -0.282) 1.537 1.319 ( 0.000 -5.065 2.000) 5.445 1.322 ( 0.000 1.776 -9.166) 9.336 1.546 ( 0.000 -5.333 -3.377) 6.313 1.735 ( 0.000 1.214 16.275) 16.320 1.768 ( 0.000 0.085 17.403) 17.404 2.093 ( 0.000 1.493 0.761) 1.676 2.191 ( 0.000 -2.877 1.902) 3.449 2.209 ( 0.000 1.589 -5.476) 5.702 2.256 ( 0.000 0.476 -5.383) 5.404 2.499 ( 0.000 -2.054 5.284) 5.669 2.549 ( 0.000 -2.261 8.163) 8.470 2.563 ( 0.000 1.370 2.501) 2.851 2.605 ( 0.000 2.239 0.323) 2.262 2.615 ( 0.000 1.728 3.451) 3.859 2.687 ( 0.000 4.377 -0.183) 4.381 2.808 ( 0.000 -2.107 -4.252) 4.745 2.860 ( 0.000 -5.587 0.661) 5.626 2.878 ( 0.000 0.813 -1.809) 1.983 2.904 ( 0.000 -0.285 -1.827) 1.849 3.212 ( 0.000 2.400 -5.308) 5.825 3.299 ( 0.000 -1.058 -9.982) 10.038 3.378 ( 0.000 3.549 2.170) 4.160 3.404 ( 0.000 3.167 0.624) 3.227 3.493 ( 0.000 -0.888 -2.063) 2.246 3.522 ( 0.000 0.697 -2.276) 2.380 3.576 ( 0.000 -1.311 -0.049) 1.311 3.625 ( 0.000 -5.830 0.777) 5.882 3.703 ( 0.000 2.226 -2.553) 3.387 3.826 ( 0.000 -1.602 0.695) 1.746 3.915 ( 0.000 4.912 -1.623) 5.173 4.056 ( 0.000 -2.007 -2.396) 3.126 4.186 ( 0.000 0.030 2.270) 2.270 4.189 ( 0.000 -0.087 2.203) 2.205 4.201 ( 0.000 3.886 -0.454) 3.912 4.358 ( 0.000 -2.826 0.677) 2.906 4.457 ( 0.000 0.710 0.177) 0.732 4.472 ( 0.000 0.140 -0.299) 0.330 5.197 ( 0.000 0.934 -2.039) 2.242 5.241 ( 0.000 -0.829 -3.129) 3.237 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 8.452 5.362 5.641) 11.490 0.674 ( 4.400 10.592 5.132) 12.565 0.745 ( 11.060 -1.430 2.233) 11.373 0.982 ( -1.191 0.934 5.580) 5.781 1.082 ( 1.198 0.718 1.171) 1.822 1.105 ( 4.556 -0.273 2.624) 5.265 1.165 ( 3.493 1.705 2.772) 4.774 1.206 ( 1.313 -1.532 -1.149) 2.322 1.249 ( 5.170 -1.800 4.896) 7.345 1.305 ( -1.168 -5.414 -2.606) 6.121 1.321 ( 0.282 2.090 -4.103) 4.613 1.529 ( -1.709 -5.097 -3.333) 6.325 1.734 ( -0.110 1.160 15.450) 15.494 1.769 ( 0.014 -0.051 16.310) 16.310 2.096 ( 0.380 1.236 0.668) 1.455 2.183 ( -0.724 -2.528 1.316) 2.941 2.213 ( 0.460 1.379 -5.703) 5.885 2.253 ( -0.178 0.633 -5.714) 5.752 2.472 ( -2.884 -0.730 3.825) 4.846 2.515 ( -2.935 -0.055 3.669) 4.699 2.600 ( 1.007 0.565 3.174) 3.378 2.620 ( 2.338 0.732 1.681) 2.971 2.651 ( 1.991 1.096 2.180) 3.149 2.668 ( 1.975 1.002 1.762) 2.830 2.835 ( 2.456 -1.359 -3.399) 4.408 2.871 ( 1.519 -2.191 -0.474) 2.707 2.916 ( 2.645 0.063 -1.012) 2.833 2.929 ( 2.690 -0.530 -0.107) 2.743 3.206 ( -0.505 2.278 -4.251) 4.849 3.297 ( -0.468 -1.789 -6.878) 7.123 3.366 ( -0.992 2.744 0.562) 2.972 3.383 ( -2.065 2.457 0.832) 3.315 3.506 ( 0.368 -0.659 -1.012) 1.262 3.535 ( 0.534 0.098 -2.042) 2.113 3.560 ( 0.669 0.689 -0.984) 1.375 3.652 ( 2.339 -5.203 0.214) 5.709 3.731 ( 2.278 1.777 -2.114) 3.580 3.832 ( 0.543 -1.641 0.953) 1.974 3.929 ( 1.597 4.388 -1.655) 4.954 4.056 ( 0.067 -1.808 -2.456) 3.051 4.192 ( -0.086 2.241 0.410) 2.280 4.201 ( 0.696 1.577 0.855) 1.925 4.202 ( 1.301 -0.114 1.718) 2.159 4.348 ( -1.038 -2.700 0.676) 2.970 4.454 ( -0.288 0.601 0.114) 0.676 4.467 ( -0.486 0.099 -0.311) 0.585 5.204 ( 0.675 0.859 -1.796) 2.102 5.244 ( 0.326 -0.767 -2.784) 2.906 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.436 12.637 5.132) 13.646 0.915 ( 12.022 1.189 2.199) 12.279 0.940 ( -2.865 1.990 4.930) 6.040 0.972 ( 11.415 -1.042 0.664) 11.482 1.093 ( 0.391 0.540 0.928) 1.143 1.145 ( 0.917 -0.319 1.665) 1.928 1.225 ( 0.936 -0.503 -3.463) 3.622 1.281 ( -0.424 -4.445 0.267) 4.473 1.310 ( 2.991 -0.571 -2.991) 4.268 1.324 ( 7.565 2.010 2.767) 8.302 1.403 ( 7.861 -1.085 4.899) 9.326 1.487 ( -2.372 -4.319 -2.982) 5.760 1.726 ( -0.912 1.052 13.873) 13.943 1.763 ( -0.793 -0.323 13.596) 13.623 2.111 ( 1.327 0.505 0.439) 1.486 2.170 ( -0.546 -1.828 0.237) 1.923 2.223 ( 0.442 1.245 -6.634) 6.764 2.253 ( 0.182 0.757 -6.433) 6.480 2.401 ( -4.196 0.432 1.421) 4.451 2.440 ( -4.592 0.276 -0.540) 4.631 2.605 ( -0.156 -0.899 2.898) 3.038 2.609 ( -1.162 0.016 2.021) 2.331 2.749 ( 6.925 1.003 1.710) 7.203 2.775 ( 6.936 -0.084 3.006) 7.559 2.890 ( 3.044 -0.618 -2.220) 3.818 2.915 ( 3.000 -1.055 0.247) 3.190 2.968 ( 2.761 0.695 -1.340) 3.147 2.983 ( 2.456 -0.121 1.506) 2.883 3.198 ( -0.222 1.668 -2.266) 2.823 3.278 ( -1.329 -0.960 -1.324) 2.107 3.328 ( -2.571 0.315 -0.552) 2.648 3.345 ( -2.566 -1.509 0.766) 3.073 3.493 ( -0.399 3.389 -0.777) 3.500 3.551 ( 0.975 0.234 -0.781) 1.271 3.608 ( 2.974 0.456 -1.265) 3.264 3.699 ( 2.218 -3.245 -0.902) 4.033 3.772 ( 2.015 1.188 -1.142) 2.603 3.844 ( 0.682 -2.462 0.194) 2.562 3.975 ( 2.990 3.430 -1.059) 4.672 4.064 ( 0.793 -1.217 -2.450) 2.848 4.183 ( -0.483 2.991 -0.181) 3.035 4.229 ( 1.884 0.240 0.215) 1.911 4.233 ( 1.873 -0.152 0.464) 1.935 4.319 ( -1.992 -2.322 0.678) 3.133 4.445 ( -0.688 0.350 0.057) 0.774 4.453 ( -0.954 0.019 -0.216) 0.978 5.221 ( 1.058 0.651 -1.227) 1.746 5.252 ( 0.414 -0.588 -1.943) 2.072 ======================= Grid point 147 (54/75) ======================= q-point: ( 0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 1.851 10.028 3.860) 10.903 0.847 ( -5.578 3.894 4.095) 7.941 1.102 ( 3.071 0.209 1.227) 3.314 1.122 ( 6.042 0.737 0.303) 6.094 1.146 ( 5.400 -0.658 0.098) 5.441 1.150 ( 0.450 -0.274 1.698) 1.778 1.240 ( 0.844 -0.318 -4.263) 4.357 1.273 ( -0.494 -1.466 -1.770) 2.351 1.341 ( 2.018 -2.675 -3.404) 4.777 1.428 ( -1.899 -4.088 -1.851) 4.873 1.502 ( 7.275 1.373 5.429) 9.181 1.551 ( 6.794 -0.603 4.593) 8.223 1.695 ( -2.376 0.952 13.198) 13.444 1.733 ( -2.452 -0.489 11.327) 11.600 2.146 ( 2.165 -0.555 0.420) 2.274 2.168 ( 0.407 -1.156 -0.833) 1.482 2.228 ( 0.189 1.368 -6.934) 7.070 2.259 ( 0.313 0.167 -7.214) 7.223 2.324 ( -3.611 1.058 -0.344) 3.779 2.355 ( -4.036 0.448 -2.709) 4.881 2.594 ( -0.442 -0.416 2.373) 2.449 2.598 ( -0.476 -1.058 2.357) 2.627 2.871 ( 5.319 1.419 1.265) 5.648 2.904 ( 5.931 -0.036 2.614) 6.481 2.938 ( 1.738 0.811 -1.383) 2.364 2.979 ( 3.397 -0.782 0.398) 3.509 3.008 ( 0.610 0.305 0.716) 0.989 3.017 ( 1.575 0.082 -0.395) 1.626 3.197 ( 0.122 -0.173 -0.489) 0.533 3.253 ( -1.212 0.435 1.090) 1.687 3.281 ( -3.286 -2.926 1.210) 4.563 3.288 ( -1.703 -1.176 -0.438) 2.115 3.504 ( 1.210 3.453 0.346) 3.676 3.556 ( -0.607 0.090 0.979) 1.155 3.660 ( 2.481 1.493 -1.387) 3.210 3.721 ( 0.005 0.181 -1.679) 1.689 3.811 ( 2.104 -0.927 -0.849) 2.451 3.855 ( 0.230 -3.604 -1.080) 3.769 4.031 ( 2.644 2.925 -0.225) 3.949 4.079 ( 0.455 0.115 -1.608) 1.675 4.184 ( 0.865 1.136 0.174) 1.438 4.260 ( -0.092 -1.068 -0.613) 1.235 4.268 ( 1.735 0.119 -1.515) 2.307 4.281 ( -0.721 -0.687 -0.141) 1.005 4.429 ( -0.903 0.104 0.373) 0.982 4.433 ( -1.113 -0.047 0.277) 1.147 5.241 ( 0.954 0.353 -0.704) 1.238 5.258 ( 0.121 -0.313 -1.067) 1.119 ======================= Grid point 148 (55/75) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -4.338 6.744 3.453) 8.730 0.748 ( 4.338 6.744 3.453) 8.730 1.132 ( -1.290 0.060 1.964) 2.350 1.132 ( 1.290 0.060 1.964) 2.350 1.200 ( -0.695 -0.127 -0.936) 1.173 1.200 ( 0.696 -0.127 -0.936) 1.173 1.259 ( -1.047 -0.536 -3.277) 3.482 1.259 ( 1.047 -0.536 -3.277) 3.482 1.384 ( -2.365 -3.524 -2.464) 4.907 1.384 ( 2.365 -3.524 -2.464) 4.907 1.615 ( -3.545 1.099 3.503) 5.104 1.615 ( 3.546 1.099 3.503) 5.104 1.672 ( -3.264 -0.471 13.748) 14.138 1.672 ( 3.264 -0.471 13.748) 14.138 2.175 ( -0.319 -1.118 -0.352) 1.215 2.175 ( 0.319 -1.118 -0.352) 1.215 2.243 ( -1.741 0.467 -5.985) 6.250 2.243 ( 1.741 0.467 -5.985) 6.250 2.299 ( -1.500 1.238 -3.472) 3.980 2.299 ( 1.501 1.238 -3.472) 3.980 2.591 ( -0.182 -0.722 2.266) 2.386 2.591 ( 0.182 -0.722 2.267) 2.386 2.938 ( -1.624 1.569 0.931) 2.443 2.938 ( 1.625 1.569 0.931) 2.443 2.989 ( -2.604 0.355 0.735) 2.729 2.989 ( 2.604 0.355 0.735) 2.729 3.026 ( -1.099 -0.557 -0.381) 1.289 3.026 ( 1.099 -0.557 -0.381) 1.289 3.213 ( -1.961 -2.014 1.066) 3.006 3.213 ( 1.961 -2.014 1.066) 3.006 3.264 ( -0.796 -0.345 0.435) 0.971 3.264 ( 0.796 -0.345 0.435) 0.971 3.532 ( -1.620 1.396 1.681) 2.720 3.532 ( 1.620 1.396 1.681) 2.720 3.702 ( -1.837 1.675 -1.863) 3.107 3.702 ( 1.837 1.675 -1.863) 3.107 3.845 ( -1.255 -2.785 -1.268) 3.308 3.845 ( 1.255 -2.786 -1.268) 3.308 4.070 ( -1.376 1.865 -0.377) 2.348 4.070 ( 1.376 1.865 -0.377) 2.348 4.218 ( -2.514 -0.993 0.400) 2.733 4.218 ( 2.514 -0.993 0.400) 2.733 4.290 ( -0.155 0.216 -2.552) 2.566 4.290 ( 0.155 0.216 -2.552) 2.566 4.419 ( -0.098 -0.049 0.862) 0.869 4.419 ( 0.098 -0.049 0.862) 0.869 5.255 ( -0.449 0.016 -0.597) 0.747 5.255 ( 0.449 0.016 -0.597) 0.747 ======================= Grid point 153 (56/75) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 -2.979 4.987) 5.809 0.571 ( 0.000 2.979 4.987) 5.809 0.932 ( 0.000 -9.462 6.925) 11.725 0.932 ( 0.000 9.462 6.925) 11.725 1.058 ( 0.000 -0.845 2.444) 2.586 1.058 ( 0.000 0.846 2.444) 2.586 1.161 ( 0.000 -1.309 2.986) 3.260 1.161 ( 0.000 1.309 2.986) 3.260 1.199 ( 0.000 -3.662 0.066) 3.663 1.199 ( 0.000 3.662 0.066) 3.663 1.424 ( 0.000 -6.375 -5.980) 8.741 1.424 ( 0.000 6.375 -5.980) 8.741 1.759 ( 0.000 -1.004 16.253) 16.284 1.759 ( 0.000 1.004 16.253) 16.284 2.134 ( 0.000 -2.636 1.325) 2.950 2.134 ( 0.000 2.636 1.325) 2.950 2.244 ( 0.000 -1.616 -5.964) 6.179 2.244 ( 0.000 1.616 -5.964) 6.179 2.501 ( 0.000 -1.951 8.064) 8.297 2.501 ( 0.000 1.951 8.064) 8.297 2.588 ( 0.000 -1.254 2.930) 3.187 2.588 ( 0.000 1.254 2.930) 3.187 2.732 ( 0.000 -6.885 0.618) 6.913 2.732 ( 0.000 6.885 0.618) 6.913 2.760 ( 0.000 -2.988 -2.763) 4.070 2.760 ( 0.000 2.988 -2.763) 4.070 2.893 ( 0.000 -0.751 -1.336) 1.533 2.893 ( 0.000 0.751 -1.336) 1.533 3.262 ( 0.000 -2.426 -7.374) 7.763 3.262 ( 0.000 2.426 -7.374) 7.763 3.463 ( 0.000 -2.324 -0.838) 2.470 3.463 ( 0.000 2.324 -0.838) 2.470 3.487 ( 0.000 -6.902 1.026) 6.978 3.487 ( 0.000 6.902 1.026) 6.978 3.545 ( 0.000 -1.553 -1.007) 1.851 3.545 ( 0.000 1.553 -1.007) 1.851 3.774 ( 0.000 -3.574 -0.418) 3.599 3.774 ( 0.000 3.574 -0.418) 3.599 4.001 ( 0.000 -3.641 -1.838) 4.079 4.001 ( 0.000 3.641 -1.838) 4.079 4.187 ( 0.000 -0.080 2.239) 2.240 4.187 ( 0.000 0.080 2.239) 2.240 4.286 ( 0.000 -4.293 0.450) 4.317 4.286 ( 0.000 4.293 0.450) 4.317 4.469 ( 0.000 -0.438 -0.025) 0.439 4.469 ( 0.000 0.438 -0.025) 0.439 5.220 ( 0.000 -1.230 -2.576) 2.854 5.220 ( 0.000 1.230 -2.576) 2.854 ======================= Grid point 155 (57/75) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 11.768 -2.383 3.463) 12.496 0.703 ( 11.768 2.383 3.463) 12.496 0.923 ( -0.681 -8.884 6.936) 11.292 0.923 ( -0.681 8.885 6.936) 11.292 1.099 ( 2.446 -0.572 1.499) 2.925 1.099 ( 2.447 0.572 1.499) 2.926 1.185 ( 1.584 -1.169 0.169) 1.976 1.185 ( 1.583 1.169 0.168) 1.975 1.219 ( 3.980 -2.068 3.541) 5.715 1.219 ( 3.981 2.068 3.542) 5.716 1.412 ( -1.102 -6.033 -5.851) 8.476 1.412 ( -1.102 6.033 -5.851) 8.476 1.758 ( -0.142 -1.029 15.300) 15.335 1.758 ( -0.142 1.029 15.300) 15.335 2.132 ( -0.156 -2.383 1.152) 2.651 2.132 ( -0.156 2.383 1.152) 2.651 2.245 ( 0.122 -1.416 -6.385) 6.541 2.245 ( 0.122 1.416 -6.385) 6.541 2.485 ( -1.897 -1.984 6.271) 6.845 2.485 ( -1.897 1.984 6.271) 6.845 2.623 ( 1.587 -0.865 1.362) 2.263 2.623 ( 1.587 0.865 1.362) 2.263 2.673 ( -0.391 -1.404 1.182) 1.876 2.673 ( -0.391 1.404 1.182) 1.876 2.826 ( 3.567 -0.991 -1.219) 3.898 2.826 ( 3.567 0.991 -1.219) 3.898 2.922 ( 2.750 -0.370 -0.661) 2.852 2.922 ( 2.750 0.370 -0.661) 2.852 3.255 ( -0.643 -2.442 -5.914) 6.430 3.255 ( -0.643 2.442 -5.914) 6.430 3.412 ( -3.858 -0.595 0.959) 4.019 3.412 ( -3.858 0.595 0.959) 4.019 3.518 ( 1.965 -2.124 -0.865) 3.021 3.518 ( 1.965 2.124 -0.865) 3.021 3.572 ( 2.503 -1.389 -1.084) 3.061 3.572 ( 2.503 1.389 -1.084) 3.061 3.785 ( 1.010 -2.986 -0.233) 3.160 3.785 ( 1.010 2.986 -0.233) 3.160 4.006 ( 0.680 -3.250 -1.893) 3.822 4.006 ( 0.680 3.250 -1.893) 3.822 4.199 ( 1.197 -0.146 1.696) 2.081 4.199 ( 1.197 0.146 1.696) 2.081 4.279 ( -0.775 -4.170 0.473) 4.268 4.279 ( -0.775 4.170 0.473) 4.268 4.465 ( -0.468 -0.376 -0.076) 0.605 4.465 ( -0.468 0.376 -0.076) 0.605 5.225 ( 0.492 -1.136 -2.283) 2.597 5.225 ( 0.492 1.136 -2.283) 2.597 ======================= Grid point 157 (58/75) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.042 -7.304 7.026) 10.134 0.893 ( -0.042 7.304 7.025) 10.135 0.952 ( 10.465 -1.686 0.991) 10.646 0.952 ( 10.465 1.686 0.991) 10.646 1.116 ( 0.035 -2.025 1.397) 2.461 1.116 ( 0.036 2.026 1.397) 2.461 1.214 ( 1.812 -0.833 -1.772) 2.667 1.214 ( 1.812 0.833 -1.771) 2.667 1.341 ( 4.772 -2.146 1.565) 5.461 1.341 ( 4.772 2.146 1.564) 5.461 1.402 ( 2.513 -3.039 -1.629) 4.267 1.402 ( 2.514 3.039 -1.629) 4.267 1.749 ( -0.954 -1.089 13.200) 13.279 1.749 ( -0.954 1.089 13.200) 13.279 2.133 ( 0.358 -1.647 0.632) 1.800 2.133 ( 0.358 1.647 0.632) 1.800 2.249 ( 0.224 -1.102 -7.335) 7.421 2.249 ( 0.224 1.102 -7.335) 7.421 2.426 ( -4.052 -1.663 1.972) 4.803 2.426 ( -4.052 1.663 1.972) 4.803 2.602 ( -1.260 -0.537 1.208) 1.826 2.602 ( -1.260 0.537 1.208) 1.826 2.768 ( 7.042 -0.729 3.005) 7.691 2.768 ( 7.042 0.729 3.005) 7.691 2.892 ( 3.565 -0.841 -0.622) 3.716 2.892 ( 3.565 0.841 -0.622) 3.716 2.978 ( 2.726 -0.348 -0.135) 2.752 2.978 ( 2.726 0.348 -0.135) 2.752 3.241 ( -0.847 -2.503 -3.163) 4.122 3.241 ( -0.847 2.503 -3.163) 4.122 3.333 ( -4.131 -0.686 1.398) 4.415 3.333 ( -4.131 0.686 1.398) 4.415 3.544 ( 0.737 -1.351 -0.333) 1.575 3.544 ( 0.737 1.351 -0.333) 1.575 3.635 ( 3.849 -2.572 -1.694) 4.929 3.635 ( 3.849 2.572 -1.694) 4.929 3.802 ( 0.585 -1.817 -0.161) 1.915 3.802 ( 0.585 1.817 -0.161) 1.915 4.031 ( 1.895 -2.190 -1.737) 3.376 4.031 ( 1.895 2.190 -1.737) 3.376 4.227 ( 1.436 -0.537 0.328) 1.568 4.227 ( 1.436 0.537 0.328) 1.568 4.259 ( -0.971 -3.361 0.539) 3.540 4.259 ( -0.971 3.361 0.539) 3.540 4.451 ( -0.928 -0.237 -0.089) 0.962 4.451 ( -0.928 0.237 -0.089) 0.962 5.237 ( 0.727 -0.868 -1.580) 1.944 5.237 ( 0.727 0.868 -1.580) 1.944 ======================= Grid point 159 (59/75) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -1.913 -4.737 5.991) 7.874 0.861 ( -1.913 4.738 5.991) 7.874 1.116 ( 1.191 -1.772 1.314) 2.507 1.116 ( 1.191 1.771 1.314) 2.507 1.135 ( 6.063 -0.596 -0.170) 6.095 1.135 ( 6.064 0.596 -0.170) 6.095 1.247 ( 1.411 -1.296 -1.127) 2.223 1.247 ( 1.411 1.296 -1.126) 2.223 1.343 ( -1.061 -3.412 -5.684) 6.714 1.343 ( -1.061 3.412 -5.684) 6.714 1.531 ( 7.251 -1.394 5.541) 9.232 1.531 ( 7.251 1.394 5.541) 9.232 1.717 ( -2.477 -1.093 11.696) 12.005 1.717 ( -2.477 1.093 11.696) 12.005 2.148 ( 1.123 -0.703 0.352) 1.371 2.148 ( 1.123 0.703 0.352) 1.371 2.251 ( -0.112 -0.894 -8.110) 8.160 2.251 ( -0.112 0.894 -8.110) 8.160 2.350 ( -3.374 -1.109 -0.936) 3.672 2.350 ( -3.374 1.109 -0.936) 3.672 2.587 ( -0.484 -0.041 1.991) 2.049 2.587 ( -0.484 0.041 1.991) 2.049 2.895 ( 5.713 -0.889 2.812) 6.429 2.895 ( 5.713 0.889 2.812) 6.429 2.960 ( 3.284 -1.140 -0.282) 3.488 2.960 ( 3.284 1.140 -0.282) 3.488 3.014 ( 0.912 -0.274 -0.360) 1.018 3.014 ( 0.912 0.274 -0.360) 1.018 3.214 ( -2.256 -2.310 0.167) 3.233 3.214 ( -2.255 2.311 0.167) 3.233 3.274 ( -1.541 -1.158 0.414) 1.972 3.274 ( -1.541 1.158 0.414) 1.972 3.549 ( -0.087 -1.069 0.530) 1.197 3.549 ( -0.087 1.069 0.530) 1.197 3.702 ( 2.920 -2.307 -1.848) 4.155 3.702 ( 2.920 2.307 -1.848) 4.156 3.806 ( -0.126 -1.014 -0.538) 1.154 3.806 ( -0.126 1.014 -0.538) 1.154 4.071 ( 2.027 -1.106 -0.902) 2.479 4.071 ( 2.027 1.106 -0.902) 2.479 4.221 ( -1.375 -2.394 0.288) 2.776 4.221 ( -1.375 2.394 0.288) 2.776 4.273 ( 1.681 -0.273 -1.213) 2.091 4.273 ( 1.681 0.273 -1.213) 2.091 4.431 ( -1.092 -0.105 0.297) 1.137 4.431 ( -1.092 0.105 0.297) 1.137 5.250 ( 0.532 -0.469 -0.883) 1.133 5.250 ( 0.532 0.469 -0.883) 1.133 ======================= Grid point 161 (60/75) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -0.000 -0.000 5.513) 5.513 0.840 ( 0.000 0.001 5.513) 5.513 1.122 ( -0.000 -0.000 1.431) 1.431 1.122 ( 0.000 0.000 1.431) 1.431 1.200 ( 0.000 -0.000 -1.023) 1.023 1.200 ( 0.000 0.000 -1.023) 1.023 1.262 ( -0.000 -0.000 -0.279) 0.279 1.262 ( -0.000 0.000 -0.280) 0.280 1.331 ( 0.000 0.000 -6.337) 6.337 1.331 ( 0.000 0.000 -6.337) 6.337 1.630 ( 0.000 -0.000 0.543) 0.543 1.630 ( 0.000 0.000 0.543) 0.543 1.664 ( -0.000 -0.000 16.537) 16.537 1.664 ( -0.000 0.000 16.537) 16.537 2.163 ( 0.000 0.000 0.751) 0.751 2.163 ( 0.000 0.000 0.751) 0.751 2.247 ( 0.000 0.000 -8.344) 8.344 2.247 ( 0.000 0.000 -8.344) 8.344 2.315 ( 0.000 -0.000 -2.362) 2.362 2.315 ( 0.000 0.000 -2.362) 2.362 2.582 ( -0.000 0.000 2.093) 2.093 2.582 ( 0.000 0.000 2.093) 2.093 2.958 ( 0.000 -0.000 3.777) 3.777 2.958 ( 0.000 0.000 3.777) 3.777 2.999 ( 0.000 -0.000 -2.366) 2.366 2.999 ( -0.000 0.000 -2.366) 2.366 3.015 ( -0.000 -0.000 0.408) 0.408 3.015 ( 0.000 0.000 0.408) 0.408 3.183 ( 0.000 0.000 1.441) 1.441 3.183 ( 0.000 0.000 1.440) 1.440 3.264 ( -0.000 -0.000 0.084) 0.084 3.264 ( -0.000 0.000 0.084) 0.084 3.547 ( 0.000 -0.000 0.977) 0.977 3.547 ( 0.000 0.000 0.977) 0.977 3.733 ( 0.000 -0.000 -2.063) 2.063 3.733 ( 0.000 0.000 -2.063) 2.063 3.803 ( 0.000 0.000 -0.638) 0.638 3.803 ( 0.000 0.000 -0.638) 0.638 4.094 ( -0.000 0.000 -0.322) 0.322 4.094 ( 0.000 0.000 -0.321) 0.321 4.205 ( 0.000 -0.000 0.334) 0.334 4.205 ( 0.000 0.000 0.334) 0.334 4.293 ( -0.000 0.000 -2.482) 2.482 4.293 ( 0.000 0.000 -2.482) 2.482 4.418 ( -0.000 0.000 0.851) 0.851 4.418 ( 0.000 0.000 0.851) 0.851 5.255 ( 0.000 0.000 -0.596) 0.596 5.255 ( 0.000 0.000 -0.596) 0.596 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 0.000 0.000) 0.000 0.571 ( 0.000 0.000 0.000) 0.000 0.668 ( 0.000 0.000 0.000) 0.000 1.064 ( 0.000 0.000 0.000) 0.000 1.080 ( 0.000 0.000 0.000) 0.000 1.080 ( 0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 -0.000) 0.000 1.147 ( 0.000 0.000 -0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 -0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 -0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 -0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 -0.000) 0.000 2.817 ( 0.000 0.000 -0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 -0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 -0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 -0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 -0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 -0.000) 0.000 5.171 ( 0.000 0.000 -0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 182 (62/75) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -0.005 0.000 0.000) 0.005 0.696 ( 11.313 0.000 -0.000) 11.313 0.777 ( 10.090 0.000 0.000) 10.090 1.071 ( -3.210 0.000 0.001) 3.210 1.083 ( 0.420 0.000 -0.002) 0.420 1.094 ( 0.755 0.000 0.001) 0.755 1.154 ( 8.605 0.000 0.000) 8.605 1.157 ( 0.979 0.000 -0.000) 0.979 1.253 ( 1.636 0.000 0.000) 1.636 1.322 ( 5.853 0.000 -0.000) 5.853 1.383 ( -2.097 0.000 -0.000) 2.097 1.565 ( -1.724 0.000 0.000) 1.724 1.901 ( 0.236 0.000 -0.000) 0.236 1.950 ( -0.251 0.000 0.000) 0.251 2.088 ( 0.614 0.000 0.000) 0.614 2.131 ( -0.760 0.000 0.000) 0.760 2.166 ( -1.564 0.000 0.000) 1.564 2.236 ( -1.275 0.000 0.000) 1.275 2.493 ( -3.980 0.000 0.000) 3.980 2.519 ( -5.486 0.000 0.000) 5.486 2.636 ( 4.412 0.000 0.000) 4.412 2.670 ( -0.320 0.000 -0.001) 0.320 2.671 ( -0.857 0.000 0.001) 0.857 2.697 ( 4.295 0.000 0.000) 4.295 2.816 ( 4.193 0.000 -0.000) 4.193 2.838 ( 2.004 0.000 -0.000) 2.004 2.893 ( 1.775 0.000 0.000) 1.775 2.975 ( 3.628 0.000 0.000) 3.628 3.141 ( 0.735 0.000 -0.000) 0.735 3.192 ( 2.608 0.000 0.000) 2.608 3.358 ( -1.793 0.000 0.000) 1.793 3.361 ( -0.818 0.000 0.000) 0.818 3.502 ( 1.212 0.000 -0.000) 1.212 3.524 ( 3.853 0.000 0.000) 3.853 3.529 ( -4.127 0.000 0.000) 4.127 3.676 ( 3.466 0.000 0.000) 3.466 3.738 ( 0.352 0.000 0.000) 0.352 3.848 ( 2.159 0.000 0.000) 2.159 3.876 ( 1.519 0.000 0.000) 1.519 4.043 ( -0.301 0.000 -0.000) 0.301 4.145 ( -0.273 0.000 0.000) 0.273 4.213 ( 0.462 0.000 -0.000) 0.462 4.220 ( 0.871 0.000 -0.000) 0.871 4.382 ( -1.212 0.000 0.000) 1.212 4.451 ( -0.213 0.000 0.000) 0.213 4.456 ( -0.325 0.000 -0.000) 0.325 5.180 ( 0.959 0.000 -0.000) 0.959 5.221 ( 0.653 0.000 0.000) 0.653 ======================= Grid point 184 (63/75) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 0.794 0.000 0.000) 0.794 0.928 ( 11.812 0.000 -0.000) 11.812 0.974 ( -6.645 0.000 0.000) 6.645 0.988 ( 10.794 0.000 0.000) 10.794 1.099 ( 1.212 0.000 -0.001) 1.212 1.115 ( 1.200 0.000 0.001) 1.200 1.178 ( 1.053 0.000 -0.000) 1.053 1.288 ( 1.108 0.000 0.000) 1.108 1.342 ( -1.178 0.000 0.000) 1.178 1.348 ( 10.808 0.000 0.000) 10.808 1.455 ( 7.407 0.000 -0.000) 7.407 1.522 ( -2.642 0.000 0.000) 2.642 1.902 ( -0.211 0.000 -0.000) 0.211 1.935 ( -1.460 0.000 0.000) 1.460 2.110 ( 1.802 0.000 0.000) 1.802 2.115 ( -0.774 0.000 0.000) 0.774 2.135 ( -1.493 0.000 0.000) 1.493 2.210 ( -1.040 0.000 -0.000) 1.040 2.407 ( -5.867 0.000 0.000) 5.867 2.407 ( -4.760 0.000 0.000) 4.760 2.651 ( -1.145 0.000 -0.000) 1.145 2.658 ( -0.927 0.000 0.000) 0.927 2.742 ( 6.125 0.000 0.000) 6.125 2.801 ( 6.046 0.000 0.000) 6.046 2.883 ( 2.584 0.000 -0.000) 2.584 2.904 ( 4.698 0.000 -0.000) 4.698 2.941 ( 3.169 0.000 0.000) 3.169 3.032 ( 2.000 0.000 0.000) 2.000 3.163 ( 1.515 0.000 -0.000) 1.515 3.243 ( 1.874 0.000 -0.000) 1.874 3.318 ( -2.210 0.000 0.000) 2.210 3.372 ( 2.653 0.000 0.000) 2.653 3.445 ( -4.685 0.000 -0.000) 4.685 3.530 ( 1.612 0.000 -0.000) 1.612 3.597 ( 3.288 0.000 0.000) 3.288 3.736 ( -0.865 0.000 0.000) 0.865 3.743 ( 3.496 0.000 0.000) 3.496 3.889 ( 1.652 0.000 0.000) 1.652 3.924 ( 3.411 0.000 0.000) 3.411 4.042 ( 0.296 0.000 -0.000) 0.296 4.146 ( 0.656 0.000 0.000) 0.656 4.226 ( 0.937 0.000 -0.000) 0.937 4.239 ( 0.983 0.000 -0.000) 0.983 4.348 ( -2.275 0.000 0.000) 2.275 4.444 ( -0.483 0.000 0.000) 0.483 4.447 ( -0.596 0.000 -0.000) 0.596 5.204 ( 1.465 0.000 -0.000) 1.465 5.236 ( 0.854 0.000 0.000) 0.854 ======================= Grid point 186 (64/75) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 3.251 0.000 0.000) 3.251 0.832 ( -7.872 0.000 0.000) 7.872 1.114 ( 7.375 0.000 -0.000) 7.375 1.126 ( 1.494 0.000 -0.002) 1.494 1.136 ( 0.894 0.000 0.002) 0.894 1.151 ( 5.810 0.000 0.000) 5.810 1.195 ( 0.865 0.000 -0.000) 0.865 1.263 ( -2.488 0.000 -0.000) 2.488 1.369 ( 2.638 0.000 0.000) 2.638 1.470 ( -2.727 0.000 0.000) 2.727 1.531 ( 7.801 0.000 0.000) 7.801 1.578 ( 4.996 0.000 -0.000) 4.996 1.891 ( -0.968 0.000 -0.000) 0.968 1.900 ( -1.929 0.000 -0.000) 1.929 2.104 ( -0.457 0.000 -0.000) 0.457 2.110 ( -1.036 0.000 0.000) 1.036 2.158 ( 3.245 0.000 0.000) 3.245 2.207 ( 0.788 0.000 -0.000) 0.788 2.307 ( -4.528 0.000 0.000) 4.528 2.317 ( -4.721 0.000 0.000) 4.721 2.633 ( -0.684 0.000 -0.000) 0.684 2.639 ( -0.909 0.000 0.000) 0.909 2.846 ( 4.393 0.000 0.000) 4.393 2.891 ( 2.393 0.000 -0.000) 2.393 2.943 ( 4.136 0.000 0.000) 4.136 2.984 ( 3.527 0.000 0.000) 3.527 3.002 ( 2.746 0.000 0.000) 2.746 3.047 ( -0.444 0.000 0.000) 0.444 3.196 ( 1.862 0.000 -0.000) 1.862 3.250 ( -0.674 0.000 0.000) 0.674 3.283 ( -1.105 0.000 0.000) 1.105 3.356 ( -4.412 0.000 -0.000) 4.412 3.460 ( 5.708 0.000 -0.000) 5.708 3.557 ( 1.044 0.000 -0.000) 1.044 3.637 ( 0.989 0.000 0.000) 0.989 3.701 ( -2.681 0.000 -0.000) 2.681 3.808 ( 3.275 0.000 0.000) 3.275 3.898 ( -0.824 0.000 0.000) 0.824 3.994 ( 3.541 0.000 0.000) 3.541 4.051 ( 0.424 0.000 -0.000) 0.424 4.177 ( 2.567 0.000 0.000) 2.567 4.245 ( 0.962 0.000 -0.000) 0.962 4.254 ( 0.530 0.000 0.000) 0.530 4.297 ( -3.062 0.000 0.000) 3.062 4.434 ( -0.505 0.000 0.000) 0.505 4.436 ( -0.576 0.000 -0.000) 0.576 5.231 ( 1.263 0.000 -0.000) 1.263 5.249 ( 0.402 0.000 0.000) 0.402 ======================= Grid point 188 (65/75) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -6.385 0.000 0.000) 6.385 0.693 ( 6.385 0.000 0.000) 6.385 1.144 ( -0.171 0.000 0.000) 0.171 1.144 ( 0.171 0.000 0.000) 0.171 1.196 ( -1.119 0.000 0.000) 1.119 1.196 ( 1.119 0.000 0.000) 1.119 1.219 ( -1.865 0.000 0.000) 1.865 1.219 ( 1.865 0.000 -0.000) 1.865 1.419 ( -2.642 0.000 0.000) 2.642 1.419 ( 2.642 0.000 0.000) 2.642 1.621 ( -1.152 0.000 0.000) 1.152 1.621 ( 1.152 0.000 0.000) 1.152 1.877 ( -0.086 0.000 -0.000) 0.086 1.877 ( 0.086 0.000 -0.000) 0.086 2.099 ( -0.107 0.000 0.000) 0.107 2.099 ( 0.107 0.000 0.000) 0.107 2.230 ( -4.271 0.000 0.000) 4.271 2.230 ( 4.271 0.000 0.000) 4.271 2.239 ( -2.593 0.000 -0.000) 2.593 2.239 ( 2.593 0.000 0.000) 2.593 2.628 ( -0.200 0.000 0.000) 0.200 2.628 ( 0.200 0.000 0.000) 0.200 2.899 ( -1.205 0.000 0.000) 1.205 2.899 ( 1.205 0.000 0.000) 1.205 3.015 ( -2.904 0.000 0.000) 2.904 3.015 ( 2.904 0.000 0.000) 2.904 3.026 ( -0.532 0.000 0.000) 0.532 3.026 ( 0.532 0.000 -0.000) 0.532 3.229 ( -1.506 0.000 0.000) 1.506 3.229 ( 1.506 0.000 0.000) 1.506 3.291 ( -2.103 0.000 0.000) 2.103 3.291 ( 2.103 0.000 0.000) 2.103 3.550 ( -2.711 0.000 0.000) 2.711 3.550 ( 2.711 0.000 0.000) 2.711 3.653 ( -1.545 0.000 0.000) 1.545 3.653 ( 1.545 0.000 0.000) 1.545 3.864 ( -2.542 0.000 0.000) 2.542 3.864 ( 2.542 0.000 0.000) 2.542 4.044 ( -1.495 0.000 0.000) 1.495 4.044 ( 1.495 0.000 0.000) 1.495 4.235 ( -3.351 0.000 0.000) 3.351 4.235 ( 3.351 0.000 0.000) 3.351 4.257 ( -0.232 0.000 0.000) 0.232 4.257 ( 0.232 0.000 -0.000) 0.232 4.429 ( -0.043 0.000 0.000) 0.043 4.429 ( 0.043 0.000 0.000) 0.043 5.248 ( -0.480 0.000 0.000) 0.480 5.248 ( 0.480 0.000 0.000) 0.480 ======================= Grid point 198 (66/75) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 1.463 -0.000) 1.463 0.655 ( 0.000 -1.279 0.000) 1.279 0.739 ( 0.000 14.661 0.000) 14.661 1.071 ( 0.000 0.485 0.000) 0.485 1.079 ( 0.000 -0.074 0.000) 0.074 1.110 ( 0.000 2.833 -0.000) 2.833 1.157 ( 0.000 1.166 -0.000) 1.166 1.163 ( 0.000 4.588 -0.000) 4.588 1.196 ( 0.000 -4.395 0.000) 4.395 1.241 ( 0.000 -1.979 -0.000) 1.979 1.338 ( 0.000 -5.051 -0.000) 5.051 1.512 ( 0.000 -6.513 0.000) 6.513 1.912 ( 0.000 1.139 -0.000) 1.139 1.947 ( 0.000 -0.454 -0.000) 0.454 2.101 ( 0.000 1.736 0.000) 1.736 2.150 ( 0.000 1.032 0.000) 1.032 2.186 ( 0.000 -0.020 0.000) 0.020 2.211 ( 0.000 -3.162 0.000) 3.162 2.593 ( 0.000 4.299 -0.000) 4.299 2.597 ( 0.000 1.326 -0.000) 1.326 2.599 ( 0.000 0.753 0.000) 0.753 2.653 ( 0.000 0.496 0.000) 0.496 2.665 ( 0.000 -1.459 0.000) 1.459 2.684 ( 0.000 0.854 -0.000) 0.854 2.723 ( 0.000 -2.322 -0.000) 2.322 2.858 ( 0.000 2.068 -0.000) 2.068 2.867 ( 0.000 -5.627 0.000) 5.627 2.878 ( 0.000 0.198 0.000) 0.198 3.146 ( 0.000 0.992 -0.000) 0.992 3.170 ( 0.000 0.196 0.000) 0.196 3.404 ( 0.000 3.140 0.000) 3.140 3.410 ( 0.000 2.576 -0.000) 2.576 3.472 ( 0.000 -0.679 0.000) 0.679 3.501 ( 0.000 1.230 -0.000) 1.230 3.576 ( 0.000 -1.404 0.000) 1.404 3.636 ( 0.000 -6.880 0.000) 6.880 3.676 ( 0.000 4.729 -0.000) 4.729 3.839 ( 0.000 -2.138 0.000) 2.138 3.901 ( 0.000 4.681 0.000) 4.681 4.033 ( 0.000 -1.518 -0.000) 1.518 4.198 ( 0.000 4.385 0.000) 4.385 4.208 ( 0.000 0.015 0.000) 0.015 4.210 ( 0.000 -0.068 -0.000) 0.068 4.365 ( 0.000 -2.704 0.000) 2.704 4.458 ( 0.000 0.493 0.000) 0.493 4.465 ( 0.000 0.367 -0.000) 0.367 5.178 ( 0.000 0.673 -0.000) 0.673 5.208 ( 0.000 -0.556 0.000) 0.556 ======================= Grid point 200 (67/75) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 11.112 1.214 -0.000) 11.178 0.735 ( -0.363 14.361 0.000) 14.365 0.767 ( 10.198 -0.954 0.000) 10.243 1.094 ( 0.828 0.727 0.000) 1.102 1.098 ( 0.970 1.527 -0.000) 1.809 1.131 ( -3.052 4.003 0.001) 5.034 1.138 ( 2.419 -0.680 -0.001) 2.512 1.199 ( 6.091 3.047 -0.000) 6.810 1.210 ( 1.719 -4.566 0.000) 4.879 1.293 ( 3.220 -3.220 -0.000) 4.553 1.334 ( 1.341 -2.913 -0.000) 3.206 1.496 ( -1.578 -6.393 0.000) 6.585 1.912 ( -0.020 0.967 -0.000) 0.968 1.946 ( -0.257 -0.479 -0.000) 0.543 2.104 ( 0.393 1.542 0.000) 1.591 2.140 ( -0.883 0.888 0.000) 1.252 2.169 ( -1.553 0.063 0.000) 1.554 2.202 ( -0.814 -2.813 0.000) 2.928 2.530 ( -5.223 2.860 0.000) 5.955 2.540 ( -5.415 1.707 -0.000) 5.678 2.632 ( 1.933 -0.363 0.000) 1.967 2.654 ( -0.454 -1.529 0.000) 1.595 2.679 ( 1.602 0.707 -0.000) 1.751 2.698 ( 4.171 -0.038 0.000) 4.171 2.779 ( 4.216 -0.802 -0.000) 4.292 2.873 ( 1.773 -2.403 -0.000) 2.987 2.888 ( 2.766 2.428 0.000) 3.681 2.947 ( 4.556 -1.859 -0.000) 4.921 3.152 ( 0.622 0.999 -0.000) 1.176 3.188 ( 1.775 -0.437 0.000) 1.828 3.385 ( -2.476 2.200 0.000) 3.312 3.388 ( -1.194 2.505 -0.000) 2.775 3.501 ( 1.276 -0.826 0.000) 1.520 3.511 ( 1.185 0.739 -0.000) 1.397 3.553 ( -0.493 0.668 -0.000) 0.830 3.656 ( 1.798 -5.884 0.000) 6.152 3.709 ( 2.674 3.286 -0.000) 4.236 3.850 ( 0.705 -2.340 0.000) 2.444 3.914 ( 1.678 4.294 0.000) 4.610 4.031 ( -0.084 -1.299 -0.000) 1.302 4.192 ( -0.519 4.066 0.000) 4.098 4.214 ( 0.574 0.274 0.000) 0.636 4.219 ( 0.818 -0.139 -0.000) 0.830 4.355 ( -1.044 -2.581 0.000) 2.784 4.455 ( -0.316 0.399 0.000) 0.508 4.461 ( -0.455 0.293 -0.000) 0.541 5.187 ( 0.904 0.625 -0.000) 1.099 5.215 ( 0.690 -0.522 0.000) 0.865 ======================= Grid point 202 (68/75) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -0.353 13.501 0.000) 13.505 0.937 ( 11.594 0.863 -0.000) 11.626 0.980 ( 10.894 -0.807 0.000) 10.924 1.027 ( -6.233 4.211 0.001) 7.522 1.117 ( 1.254 1.663 -0.003) 2.083 1.126 ( 1.274 0.616 0.003) 1.415 1.167 ( 1.077 -0.933 -0.000) 1.425 1.257 ( 2.823 -3.875 0.000) 4.794 1.282 ( -1.809 -3.632 -0.000) 4.058 1.369 ( 9.936 1.840 0.000) 10.105 1.449 ( 7.654 -0.839 -0.000) 7.700 1.458 ( -2.153 -5.864 0.000) 6.246 1.908 ( -0.505 0.531 -0.000) 0.733 1.931 ( -1.332 -0.384 -0.000) 1.386 2.118 ( 0.932 0.762 -0.000) 1.204 2.123 ( -0.535 0.791 0.000) 0.955 2.137 ( -1.603 0.061 0.000) 1.605 2.187 ( -0.460 -1.925 -0.000) 1.979 2.425 ( -6.009 1.458 0.001) 6.183 2.426 ( -5.424 1.433 -0.001) 5.610 2.634 ( -0.666 -1.509 -0.000) 1.650 2.639 ( -0.949 -1.106 0.000) 1.457 2.769 ( 6.208 1.920 0.000) 6.498 2.804 ( 6.258 0.178 0.000) 6.260 2.860 ( 4.265 -0.307 0.000) 4.276 2.925 ( 3.408 -1.683 0.000) 3.802 2.947 ( 3.079 2.388 0.000) 3.896 3.017 ( 2.495 -1.394 0.000) 2.858 3.168 ( 1.084 0.798 0.000) 1.346 3.228 ( 2.088 -1.418 0.000) 2.524 3.329 ( -3.023 0.923 0.000) 3.161 3.357 ( -2.407 -0.729 -0.000) 2.515 3.490 ( -0.310 3.438 -0.000) 3.451 3.540 ( 1.535 0.737 -0.000) 1.703 3.596 ( 3.192 0.031 0.000) 3.192 3.691 ( 1.584 -3.849 0.000) 4.162 3.761 ( 2.528 1.743 0.000) 3.071 3.853 ( -0.251 -2.328 0.000) 2.342 3.969 ( 3.700 2.790 0.000) 4.634 4.036 ( 0.756 -0.647 -0.000) 0.995 4.182 ( -0.362 3.301 0.000) 3.321 4.230 ( 1.015 0.390 0.000) 1.087 4.237 ( 0.980 -0.210 -0.000) 1.002 4.326 ( -2.017 -2.229 0.000) 3.006 4.447 ( -0.609 0.195 0.000) 0.640 4.449 ( -0.736 0.124 -0.000) 0.746 5.209 ( 1.364 0.484 -0.000) 1.447 5.232 ( 0.934 -0.414 0.000) 1.021 ======================= Grid point 204 (69/75) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 1.387 11.205 0.000) 11.291 0.899 ( -6.737 5.482 0.000) 8.686 1.118 ( 6.900 0.486 -0.000) 6.917 1.139 ( 4.008 -0.310 0.000) 4.020 1.151 ( 1.284 0.613 -0.010) 1.423 1.153 ( 3.652 1.384 0.010) 3.905 1.181 ( 0.485 -1.083 -0.000) 1.187 1.240 ( -2.196 -1.383 -0.000) 2.595 1.314 ( 2.812 -4.806 -0.000) 5.568 1.409 ( -2.336 -5.594 0.000) 6.062 1.546 ( 7.335 1.200 0.000) 7.432 1.579 ( 5.371 -0.094 -0.000) 5.372 1.892 ( -1.088 0.157 -0.000) 1.100 1.899 ( -1.796 -0.091 -0.000) 1.798 2.110 ( -0.456 0.522 0.000) 0.693 2.113 ( -0.885 0.197 0.000) 0.907 2.153 ( 2.250 -0.264 0.000) 2.265 2.189 ( 0.536 -1.521 -0.000) 1.613 2.325 ( -4.359 1.341 0.000) 4.561 2.330 ( -4.448 1.013 -0.000) 4.562 2.621 ( -0.575 -1.217 -0.001) 1.346 2.622 ( -0.677 -0.856 0.001) 1.091 2.877 ( 4.594 2.420 -0.000) 5.192 2.906 ( 3.586 1.279 -0.000) 3.808 2.939 ( 4.218 -0.050 0.000) 4.218 2.990 ( 2.992 -1.168 0.000) 3.212 2.997 ( 2.201 1.066 -0.000) 2.446 3.039 ( -0.139 -0.786 0.000) 0.798 3.190 ( 1.195 -0.131 0.000) 1.203 3.255 ( 0.477 0.036 0.000) 0.478 3.283 ( -1.579 -0.095 0.000) 1.582 3.295 ( -3.501 -3.780 -0.000) 5.153 3.516 ( 2.555 3.473 -0.000) 4.312 3.561 ( 0.614 0.253 -0.000) 0.664 3.644 ( 1.805 0.918 0.000) 2.025 3.702 ( -0.641 -0.203 -0.000) 0.672 3.803 ( 1.943 -0.351 0.000) 1.974 3.847 ( -0.388 -3.357 0.000) 3.380 4.036 ( 2.919 2.475 0.000) 3.827 4.057 ( 1.208 0.466 -0.000) 1.295 4.186 ( 1.004 1.185 0.000) 1.553 4.250 ( 0.983 0.391 0.000) 1.058 4.251 ( 0.207 -0.438 -0.000) 0.484 4.282 ( -2.345 -1.389 -0.000) 2.726 4.434 ( -0.587 0.020 0.000) 0.588 4.435 ( -0.646 -0.021 -0.000) 0.647 5.234 ( 1.130 0.271 -0.000) 1.162 5.246 ( 0.522 -0.227 0.000) 0.569 ======================= Grid point 206 (70/75) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -4.544 8.104 0.000) 9.291 0.788 ( 4.545 8.104 0.000) 9.291 1.168 ( -0.487 1.790 -0.000) 1.855 1.168 ( 0.487 1.790 -0.000) 1.855 1.182 ( -0.648 -1.712 0.000) 1.830 1.182 ( 0.648 -1.711 -0.000) 1.830 1.209 ( -0.682 -0.116 0.000) 0.691 1.209 ( 0.682 -0.116 0.000) 0.692 1.364 ( -2.444 -5.070 0.000) 5.628 1.364 ( 2.444 -5.070 0.000) 5.628 1.628 ( -0.809 0.569 0.000) 0.989 1.628 ( 0.809 0.569 0.000) 0.989 1.878 ( -0.063 0.050 -0.000) 0.081 1.878 ( 0.063 0.050 -0.000) 0.081 2.105 ( -0.015 0.486 0.000) 0.486 2.105 ( 0.015 0.486 0.000) 0.486 2.192 ( -1.073 -1.827 -0.000) 2.119 2.192 ( 1.073 -1.827 0.000) 2.119 2.277 ( -0.163 1.718 0.000) 1.726 2.277 ( 0.164 1.718 0.000) 1.726 2.616 ( -0.015 -0.903 0.000) 0.903 2.616 ( 0.015 -0.903 0.000) 0.903 2.930 ( -0.870 2.646 0.000) 2.785 2.930 ( 0.870 2.646 -0.000) 2.785 3.007 ( -2.235 -0.737 0.000) 2.354 3.007 ( 2.235 -0.737 0.000) 2.354 3.025 ( -0.551 -0.107 -0.000) 0.561 3.025 ( 0.551 -0.107 0.000) 0.561 3.222 ( -2.496 -1.193 0.000) 2.767 3.222 ( 2.496 -1.193 0.000) 2.767 3.270 ( -0.021 -1.011 0.000) 1.011 3.270 ( 0.021 -1.011 0.000) 1.011 3.558 ( -1.236 0.467 0.000) 1.321 3.558 ( 1.236 0.467 -0.000) 1.321 3.675 ( -1.713 2.031 0.000) 2.657 3.675 ( 1.713 2.031 0.000) 2.657 3.833 ( -1.193 -2.506 0.000) 2.775 3.833 ( 1.193 -2.506 0.000) 2.775 4.068 ( -0.383 1.855 0.000) 1.895 4.068 ( 0.383 1.855 0.000) 1.895 4.222 ( -2.489 -1.033 0.000) 2.695 4.222 ( 2.489 -1.033 0.000) 2.695 4.263 ( -0.350 0.302 0.000) 0.462 4.263 ( 0.350 0.302 0.000) 0.462 4.428 ( -0.028 -0.059 0.000) 0.066 4.428 ( 0.028 -0.059 0.000) 0.066 5.248 ( -0.339 0.017 0.000) 0.340 5.248 ( 0.339 0.017 0.000) 0.340 ======================= Grid point 216 (71/75) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 -1.962 0.000) 1.962 0.622 ( 0.000 1.963 0.000) 1.963 1.023 ( 0.000 -12.612 0.000) 12.612 1.023 ( 0.000 12.613 0.000) 12.613 1.077 ( 0.000 -0.174 0.000) 0.174 1.077 ( 0.000 0.174 0.000) 0.174 1.179 ( 0.000 -3.627 0.000) 3.627 1.179 ( 0.000 3.627 -0.000) 3.627 1.194 ( 0.000 -2.422 0.000) 2.422 1.194 ( 0.000 2.422 0.000) 2.422 1.361 ( 0.000 -7.492 0.000) 7.492 1.361 ( 0.000 7.492 0.000) 7.492 1.933 ( 0.000 -0.925 0.000) 0.925 1.933 ( 0.000 0.925 -0.000) 0.925 2.148 ( 0.000 -2.944 0.000) 2.944 2.148 ( 0.000 2.944 0.000) 2.944 2.174 ( 0.000 -1.151 0.000) 1.151 2.174 ( 0.000 1.151 0.000) 1.151 2.616 ( 0.000 -0.807 0.000) 0.807 2.616 ( 0.000 0.807 0.000) 0.807 2.629 ( 0.000 -1.871 -0.000) 1.871 2.629 ( 0.000 1.871 -0.000) 1.871 2.697 ( 0.000 -0.632 0.000) 0.632 2.697 ( 0.000 0.632 0.000) 0.632 2.739 ( 0.000 -6.742 0.000) 6.742 2.739 ( 0.000 6.742 0.000) 6.742 2.880 ( 0.000 -0.228 0.000) 0.228 2.880 ( 0.000 0.228 0.000) 0.228 3.165 ( 0.000 -0.742 0.000) 0.742 3.165 ( 0.000 0.742 0.000) 0.742 3.451 ( 0.000 -1.500 -0.000) 1.500 3.451 ( 0.000 1.500 0.000) 1.500 3.501 ( 0.000 -6.355 0.000) 6.355 3.501 ( 0.000 6.355 0.000) 6.355 3.538 ( 0.000 -2.252 0.000) 2.252 3.538 ( 0.000 2.252 0.000) 2.252 3.773 ( 0.000 -4.463 0.000) 4.463 3.773 ( 0.000 4.463 -0.000) 4.463 3.984 ( 0.000 -3.439 0.000) 3.439 3.984 ( 0.000 3.439 0.000) 3.439 4.209 ( 0.000 -0.057 0.000) 0.057 4.209 ( 0.000 0.057 -0.000) 0.057 4.292 ( 0.000 -4.605 0.000) 4.605 4.292 ( 0.000 4.605 0.000) 4.605 4.467 ( 0.000 -0.246 0.000) 0.246 4.467 ( 0.000 0.246 0.000) 0.246 5.194 ( 0.000 -0.858 0.000) 0.858 5.194 ( 0.000 0.858 0.000) 0.858 ======================= Grid point 220 (72/75) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 10.651 -1.645 0.000) 10.777 0.738 ( 10.651 1.645 0.000) 10.777 1.020 ( -0.558 -12.744 0.000) 12.756 1.020 ( -0.558 12.744 0.000) 12.756 1.111 ( 2.609 -0.539 0.000) 2.665 1.111 ( 2.610 0.539 0.000) 2.665 1.155 ( -1.164 -2.426 -0.000) 2.691 1.155 ( -1.164 2.426 -0.000) 2.691 1.261 ( 6.043 -2.661 0.000) 6.603 1.261 ( 6.043 2.661 -0.000) 6.603 1.350 ( -0.959 -6.835 0.000) 6.902 1.350 ( -0.959 6.835 0.000) 6.902 1.932 ( -0.243 -0.904 -0.000) 0.936 1.932 ( -0.243 0.904 -0.000) 0.936 2.146 ( -0.141 -2.634 0.000) 2.638 2.146 ( -0.141 2.634 -0.000) 2.638 2.160 ( -1.243 -0.914 0.000) 1.543 2.160 ( -1.243 0.914 0.000) 1.543 2.565 ( -6.186 -0.038 0.000) 6.186 2.565 ( -6.186 0.038 0.000) 6.186 2.628 ( 0.099 -0.449 -0.000) 0.460 2.628 ( 0.099 0.449 -0.000) 0.460 2.692 ( 3.626 -0.577 -0.000) 3.672 2.692 ( 3.626 0.577 0.000) 3.672 2.806 ( 3.897 -3.311 0.000) 5.113 2.806 ( 3.897 3.311 0.000) 5.114 2.921 ( 3.598 -1.142 0.000) 3.775 2.922 ( 3.598 1.142 0.000) 3.775 3.173 ( 0.879 -1.025 0.000) 1.350 3.173 ( 0.879 1.025 0.000) 1.350 3.420 ( -3.261 -0.544 0.000) 3.306 3.420 ( -3.261 0.544 0.000) 3.306 3.512 ( 1.653 -1.527 0.000) 2.251 3.512 ( 1.653 1.527 0.000) 2.251 3.563 ( 2.074 -1.872 0.000) 2.794 3.563 ( 2.074 1.872 0.000) 2.794 3.787 ( 1.181 -3.953 0.000) 4.126 3.787 ( 1.181 3.954 0.000) 4.126 3.989 ( 0.604 -3.021 0.000) 3.081 3.989 ( 0.604 3.022 0.000) 3.081 4.216 ( 0.647 -0.186 0.000) 0.673 4.216 ( 0.647 0.186 -0.000) 0.673 4.284 ( -0.757 -4.453 0.000) 4.517 4.284 ( -0.757 4.453 0.000) 4.517 4.462 ( -0.481 -0.192 0.000) 0.518 4.462 ( -0.481 0.192 0.000) 0.518 5.202 ( 0.788 -0.802 0.000) 1.124 5.202 ( 0.788 0.802 0.000) 1.124 ======================= Grid point 224 (73/75) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 10.284 -0.500 0.000) 10.296 0.957 ( 10.285 0.501 0.000) 10.297 0.993 ( -1.665 -10.349 0.000) 10.482 0.993 ( -1.665 10.348 0.000) 10.482 1.125 ( -0.138 -1.418 -0.000) 1.425 1.125 ( -0.138 1.419 -0.000) 1.425 1.177 ( 2.576 -2.637 -0.000) 3.687 1.177 ( 2.576 2.638 -0.000) 3.687 1.316 ( -1.460 -6.281 0.000) 6.449 1.316 ( -1.460 6.281 0.000) 6.449 1.419 ( 8.600 -2.051 0.000) 8.841 1.419 ( 8.600 2.051 0.000) 8.842 1.921 ( -0.994 -0.660 -0.000) 1.193 1.921 ( -0.994 0.660 -0.000) 1.194 2.133 ( -1.236 -0.551 0.000) 1.353 2.133 ( -1.236 0.551 0.000) 1.353 2.149 ( 0.314 -1.779 0.000) 1.807 2.149 ( 0.314 1.779 0.000) 1.807 2.444 ( -6.147 -0.004 0.000) 6.147 2.444 ( -6.147 0.004 0.000) 6.147 2.620 ( -0.619 -0.308 -0.000) 0.692 2.620 ( -0.619 0.308 -0.000) 0.692 2.798 ( 6.548 -0.901 0.000) 6.610 2.798 ( 6.548 0.901 0.000) 6.610 2.882 ( 4.151 -2.193 0.000) 4.694 2.882 ( 4.151 2.193 0.000) 4.694 2.986 ( 2.762 -1.694 0.000) 3.240 2.986 ( 2.762 1.694 0.000) 3.240 3.195 ( 1.267 -1.733 0.000) 2.147 3.195 ( 1.267 1.733 0.000) 2.147 3.346 ( -4.161 -0.657 0.000) 4.212 3.346 ( -4.161 0.657 -0.000) 4.212 3.544 ( 1.272 -1.056 -0.000) 1.653 3.544 ( 1.272 1.056 -0.000) 1.653 3.616 ( 3.423 -2.800 0.000) 4.422 3.616 ( 3.423 2.800 0.000) 4.422 3.805 ( 0.470 -2.537 0.000) 2.580 3.805 ( 0.470 2.537 0.000) 2.580 4.014 ( 2.112 -1.674 0.000) 2.696 4.014 ( 2.112 1.675 0.000) 2.696 4.230 ( 0.693 -0.624 0.000) 0.932 4.230 ( 0.693 0.624 -0.000) 0.932 4.265 ( -1.115 -3.626 0.000) 3.793 4.265 ( -1.115 3.626 0.000) 3.793 4.450 ( -0.795 -0.090 0.000) 0.801 4.450 ( -0.795 0.091 0.000) 0.801 5.221 ( 1.138 -0.630 0.000) 1.301 5.221 ( 1.138 0.630 -0.000) 1.301 ======================= Grid point 228 (74/75) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -2.721 -5.750 0.000) 6.362 0.933 ( -2.721 5.750 0.000) 6.362 1.125 ( 3.194 -0.044 0.000) 3.194 1.125 ( 3.195 0.044 -0.000) 3.195 1.138 ( 3.732 -1.412 -0.000) 3.991 1.138 ( 3.733 1.412 0.000) 3.991 1.221 ( 2.017 -3.981 -0.000) 4.463 1.221 ( 2.017 3.982 -0.000) 4.464 1.286 ( -1.535 -5.648 0.000) 5.853 1.286 ( -1.535 5.648 0.000) 5.853 1.569 ( 6.385 -0.958 0.000) 6.457 1.569 ( 6.385 0.958 0.000) 6.457 1.896 ( -1.426 -0.199 -0.000) 1.440 1.896 ( -1.426 0.199 -0.000) 1.440 2.116 ( -0.479 -0.026 0.000) 0.479 2.116 ( -0.479 0.026 0.000) 0.479 2.160 ( 0.803 -1.121 -0.000) 1.379 2.160 ( 0.803 1.121 -0.000) 1.379 2.342 ( -4.344 -0.129 0.000) 4.346 2.342 ( -4.344 0.129 0.000) 4.346 2.610 ( -0.458 -0.162 -0.000) 0.486 2.610 ( -0.458 0.162 0.000) 0.486 2.914 ( 5.093 -0.937 0.000) 5.178 2.914 ( 5.093 0.937 0.000) 5.178 2.958 ( 3.470 -1.852 0.000) 3.934 2.958 ( 3.470 1.853 0.000) 3.934 3.019 ( 0.733 -1.100 -0.000) 1.322 3.019 ( 0.733 1.100 -0.000) 1.322 3.212 ( -0.049 -2.533 0.000) 2.534 3.212 ( -0.049 2.533 0.000) 2.534 3.278 ( -2.286 -0.400 -0.000) 2.321 3.278 ( -2.286 0.400 0.000) 2.321 3.559 ( 0.418 -0.812 -0.000) 0.913 3.559 ( 0.418 0.812 -0.000) 0.913 3.678 ( 2.713 -2.132 0.000) 3.451 3.678 ( 2.713 2.133 0.000) 3.451 3.803 ( -0.432 -0.820 0.000) 0.927 3.803 ( -0.432 0.820 0.000) 0.927 4.062 ( 2.569 -0.234 0.000) 2.579 4.062 ( 2.569 0.234 0.000) 2.579 4.224 ( -1.241 -2.263 0.000) 2.582 4.224 ( -1.241 2.263 0.000) 2.582 4.259 ( 0.493 -0.650 -0.000) 0.815 4.259 ( 0.493 0.650 0.000) 0.815 4.435 ( -0.693 -0.030 0.000) 0.693 4.435 ( -0.693 0.030 0.000) 0.693 5.240 ( 0.819 -0.350 0.000) 0.891 5.240 ( 0.819 0.350 -0.000) 0.891 ======================= Grid point 232 (75/75) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.000 0.000 -0.000) 0.000 0.905 ( 0.000 0.000 0.000) 0.000 1.137 ( 0.000 0.000 -0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.192 ( 0.000 0.000 -0.000) 0.000 1.192 ( 0.000 0.000 0.000) 0.000 1.256 ( -0.005 -0.015 0.000) 0.016 1.256 ( 0.005 -0.015 -0.000) 0.016 1.257 ( -0.005 0.015 0.000) 0.016 1.257 ( 0.005 0.015 -0.000) 0.016 1.635 ( 0.000 -0.000 -0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 -0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 -0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.171 ( -0.000 0.000 -0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 -0.000 0.000) 0.000 2.991 ( -0.000 0.000 0.000) 0.000 3.024 ( -0.000 0.000 -0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 -0.000 -0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 -0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 -0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 -0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 -0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.001 4.091 ( 0.000 -0.000 -0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.001 4.208 ( 0.000 -0.000 -0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 -0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.428 ( -0.000 -0.000 -0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 -0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 =================== 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 3/12288 10.0 11.662 8.506 9.616 0.000 0.000 0.000 3/12288 20.0 6.690 3.883 7.132 0.000 0.000 0.000 3/12288 30.0 4.286 2.316 4.944 0.000 0.000 0.000 3/12288 40.0 3.052 1.602 3.642 0.000 0.000 0.000 3/12288 50.0 2.351 1.218 2.852 0.000 0.000 0.000 3/12288 60.0 1.910 0.983 2.338 0.000 0.000 0.000 3/12288 70.0 1.610 0.825 1.980 0.000 0.000 0.000 3/12288 80.0 1.392 0.712 1.719 0.000 0.000 0.000 3/12288 90.0 1.228 0.627 1.518 0.000 0.000 0.000 3/12288 100.0 1.098 0.560 1.361 0.000 0.000 0.000 3/12288 110.0 0.994 0.507 1.233 0.000 0.000 0.000 3/12288 120.0 0.908 0.463 1.127 0.000 0.000 0.000 3/12288 130.0 0.836 0.426 1.039 0.000 0.000 0.000 3/12288 140.0 0.775 0.395 0.963 0.000 0.000 0.000 3/12288 150.0 0.722 0.368 0.898 0.000 0.000 0.000 3/12288 160.0 0.676 0.344 0.841 0.000 0.000 0.000 3/12288 170.0 0.636 0.324 0.791 0.000 0.000 0.000 3/12288 180.0 0.600 0.305 0.746 0.000 0.000 0.000 3/12288 190.0 0.568 0.289 0.707 0.000 0.000 0.000 3/12288 200.0 0.539 0.274 0.671 0.000 0.000 0.000 3/12288 210.0 0.513 0.261 0.639 0.000 0.000 0.000 3/12288 220.0 0.490 0.249 0.610 0.000 0.000 0.000 3/12288 230.0 0.468 0.238 0.583 0.000 0.000 0.000 3/12288 240.0 0.449 0.228 0.559 0.000 0.000 0.000 3/12288 250.0 0.431 0.219 0.536 0.000 0.000 0.000 3/12288 260.0 0.414 0.211 0.515 0.000 0.000 0.000 3/12288 270.0 0.399 0.203 0.496 0.000 0.000 0.000 3/12288 280.0 0.384 0.196 0.479 0.000 0.000 0.000 3/12288 290.0 0.371 0.189 0.462 0.000 0.000 0.000 3/12288 300.0 0.359 0.182 0.447 0.000 0.000 0.000 3/12288 310.0 0.347 0.177 0.432 0.000 0.000 0.000 3/12288 320.0 0.336 0.171 0.419 0.000 0.000 0.000 3/12288 330.0 0.326 0.166 0.406 0.000 0.000 0.000 3/12288 340.0 0.316 0.161 0.394 0.000 0.000 0.000 3/12288 350.0 0.307 0.156 0.383 0.000 0.000 0.000 3/12288 360.0 0.299 0.152 0.372 0.000 0.000 0.000 3/12288 370.0 0.291 0.148 0.362 0.000 0.000 0.000 3/12288 380.0 0.283 0.144 0.352 0.000 0.000 0.000 3/12288 390.0 0.276 0.140 0.343 0.000 0.000 0.000 3/12288 400.0 0.269 0.137 0.335 0.000 0.000 0.000 3/12288 410.0 0.262 0.133 0.327 0.000 0.000 0.000 3/12288 420.0 0.256 0.130 0.319 0.000 0.000 0.000 3/12288 430.0 0.250 0.127 0.311 0.000 0.000 0.000 3/12288 440.0 0.244 0.124 0.304 0.000 0.000 0.000 3/12288 450.0 0.239 0.122 0.298 0.000 0.000 0.000 3/12288 460.0 0.234 0.119 0.291 0.000 0.000 0.000 3/12288 470.0 0.229 0.116 0.285 0.000 0.000 0.000 3/12288 480.0 0.224 0.114 0.279 0.000 0.000 0.000 3/12288 490.0 0.219 0.112 0.273 0.000 0.000 0.000 3/12288 500.0 0.215 0.109 0.268 0.000 0.000 0.000 3/12288 510.0 0.211 0.107 0.263 0.000 0.000 0.000 3/12288 520.0 0.207 0.105 0.258 0.000 0.000 0.000 3/12288 530.0 0.203 0.103 0.253 0.000 0.000 0.000 3/12288 540.0 0.199 0.101 0.248 0.000 0.000 0.000 3/12288 550.0 0.195 0.099 0.243 0.000 0.000 0.000 3/12288 560.0 0.192 0.098 0.239 0.000 0.000 0.000 3/12288 570.0 0.189 0.096 0.235 0.000 0.000 0.000 3/12288 580.0 0.185 0.094 0.231 0.000 0.000 0.000 3/12288 590.0 0.182 0.093 0.227 0.000 0.000 0.000 3/12288 600.0 0.179 0.091 0.223 0.000 0.000 0.000 3/12288 610.0 0.176 0.090 0.220 0.000 0.000 0.000 3/12288 620.0 0.173 0.088 0.216 0.000 0.000 0.000 3/12288 630.0 0.171 0.087 0.213 0.000 0.000 0.000 3/12288 640.0 0.168 0.085 0.209 0.000 0.000 0.000 3/12288 650.0 0.165 0.084 0.206 0.000 0.000 0.000 3/12288 660.0 0.163 0.083 0.203 0.000 0.000 0.000 3/12288 670.0 0.160 0.082 0.200 0.000 0.000 0.000 3/12288 680.0 0.158 0.080 0.197 0.000 0.000 0.000 3/12288 690.0 0.156 0.079 0.194 0.000 0.000 0.000 3/12288 700.0 0.154 0.078 0.191 0.000 0.000 0.000 3/12288 710.0 0.151 0.077 0.189 0.000 0.000 0.000 3/12288 720.0 0.149 0.076 0.186 0.000 0.000 0.000 3/12288 730.0 0.147 0.075 0.183 0.000 0.000 0.000 3/12288 740.0 0.145 0.074 0.181 0.000 0.000 0.000 3/12288 750.0 0.143 0.073 0.179 0.000 0.000 0.000 3/12288 760.0 0.141 0.072 0.176 0.000 0.000 0.000 3/12288 770.0 0.140 0.071 0.174 0.000 0.000 0.000 3/12288 780.0 0.138 0.070 0.172 0.000 0.000 0.000 3/12288 790.0 0.136 0.069 0.170 0.000 0.000 0.000 3/12288 800.0 0.134 0.068 0.167 0.000 0.000 0.000 3/12288 810.0 0.133 0.067 0.165 0.000 0.000 0.000 3/12288 820.0 0.131 0.067 0.163 0.000 0.000 0.000 3/12288 830.0 0.130 0.066 0.161 0.000 0.000 0.000 3/12288 840.0 0.128 0.065 0.159 0.000 0.000 0.000 3/12288 850.0 0.126 0.064 0.158 0.000 0.000 0.000 3/12288 860.0 0.125 0.064 0.156 0.000 0.000 0.000 3/12288 870.0 0.124 0.063 0.154 0.000 0.000 0.000 3/12288 880.0 0.122 0.062 0.152 0.000 0.000 0.000 3/12288 890.0 0.121 0.061 0.151 0.000 0.000 0.000 3/12288 900.0 0.119 0.061 0.149 0.000 0.000 0.000 3/12288 910.0 0.118 0.060 0.147 0.000 0.000 0.000 3/12288 920.0 0.117 0.059 0.146 0.000 0.000 0.000 3/12288 930.0 0.116 0.059 0.144 0.000 0.000 0.000 3/12288 940.0 0.114 0.058 0.142 0.000 0.000 0.000 3/12288 950.0 0.113 0.058 0.141 0.000 0.000 0.000 3/12288 960.0 0.112 0.057 0.140 0.000 0.000 0.000 3/12288 970.0 0.111 0.056 0.138 0.000 0.000 0.000 3/12288 980.0 0.110 0.056 0.137 0.000 0.000 0.000 3/12288 990.0 0.109 0.055 0.135 0.000 0.000 0.000 3/12288 1000.0 0.107 0.055 0.134 0.000 0.000 0.000 3/12288 Thermal conductivity related properties were written into "kappa-m848.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:37:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|