----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.130340010630809 0.000000000000000 0.000000000000000 b 0.000000000000000 3.793000670000000 0.000000000000000 c -5.562633520988165 0.000000000000000 10.922698313614173 Atomic positions (fractional): *1 In 0.95921418264054 0.25000000000000 0.22338845585828 114.818 2 In 0.04078581735946 0.75000000000000 0.77661154414172 114.818 *3 In 0.40516339139904 0.75000000000000 0.35532813353658 114.818 4 In 0.59483660860096 0.25000000000000 0.64467186646342 114.818 *5 Ga 0.25650588592570 0.25000000000000 0.09393695702962 69.723 6 Ga 0.74349411407430 0.75000000000000 0.90606304297038 69.723 *7 Bi 0.79571861443594 0.75000000000000 0.39592364481530 208.980 8 Bi 0.20428138556406 0.25000000000000 0.60407635518470 208.980 *9 S 0.77675549978865 0.75000000000000 0.73172087417068 32.065 *10 S 0.58780007520059 0.25000000000000 0.43080137776910 32.065 *11 S 0.03751478898779 0.75000000000000 0.39769132602907 32.065 *12 S 0.61046896955706 0.25000000000000 0.87028149675986 32.065 13 S 0.38953103044294 0.75000000000000 0.12971850324014 32.065 14 S 0.22324450021135 0.25000000000000 0.26827912582932 32.065 15 S 0.96248521101221 0.25000000000000 0.60230867397093 32.065 *16 S 0.93991538937385 0.75000000000000 0.07820845496761 32.065 17 S 0.06008461062615 0.25000000000000 0.92179154503240 32.065 18 S 0.41219992479941 0.75000000000000 0.56919862223090 32.065 *19 S 0.73038027739975 0.25000000000000 0.22452132528945 32.065 20 S 0.26961972260025 0.75000000000000 0.77547867471055 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.130340010630809 0.000000000000000 0.000000000000000 b 0.000000000000000 3.793000670000000 0.000000000000000 c -5.562633520988165 0.000000000000000 10.922698313614173 Atomic positions (fractional): *1 In 0.95921418264054 0.25000000000000 0.22338845585828 114.818 > 1 2 In 0.04078581735946 0.75000000000000 0.77661154414172 114.818 > 2 *3 In 0.40516339139904 0.75000000000000 0.35532813353658 114.818 > 3 4 In 0.59483660860096 0.25000000000000 0.64467186646342 114.818 > 4 *5 Ga 0.25650588592570 0.25000000000000 0.09393695702962 69.723 > 5 6 Ga 0.74349411407430 0.75000000000000 0.90606304297038 69.723 > 6 *7 Bi 0.79571861443594 0.75000000000000 0.39592364481530 208.980 > 7 8 Bi 0.20428138556406 0.25000000000000 0.60407635518470 208.980 > 8 *9 S 0.77675549978865 0.75000000000000 0.73172087417068 32.065 > 9 *10 S 0.58780007520059 0.25000000000000 0.43080137776910 32.065 > 10 *11 S 0.03751478898779 0.75000000000000 0.39769132602907 32.065 > 11 *12 S 0.61046896955706 0.25000000000000 0.87028149675986 32.065 > 12 13 S 0.38953103044294 0.75000000000000 0.12971850324014 32.065 > 13 14 S 0.22324450021135 0.25000000000000 0.26827912582932 32.065 > 14 15 S 0.96248521101221 0.25000000000000 0.60230867397093 32.065 > 15 *16 S 0.93991538937385 0.75000000000000 0.07820845496761 32.065 > 16 17 S 0.06008461062615 0.25000000000000 0.92179154503240 32.065 > 17 18 S 0.41219992479941 0.75000000000000 0.56919862223090 32.065 > 18 *19 S 0.73038027739975 0.25000000000000 0.22452132528945 32.065 > 19 20 S 0.26961972260025 0.75000000000000 0.77547867471055 32.065 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.260680021261617 0.000000000000000 0.000000000000000 b 0.000000000000000 11.379002010000001 0.000000000000000 c -5.562633520988165 0.000000000000000 10.922698313614173 Atomic positions (fractional): *1 In 0.47960709132027 0.08333333333333 0.22338845585828 114.818 > 1 2 In 0.97960709132027 0.08333333333333 0.22338845585828 114.818 > 1 3 In 0.47960709132027 0.41666666666667 0.22338845585828 114.818 > 1 4 In 0.97960709132027 0.41666666666667 0.22338845585828 114.818 > 1 5 In 0.47960709132027 0.75000000000000 0.22338845585828 114.818 > 1 6 In 0.97960709132027 0.75000000000000 0.22338845585828 114.818 > 1 7 In 0.02039290867973 0.25000000000000 0.77661154414172 114.818 > 2 8 In 0.52039290867973 0.25000000000000 0.77661154414172 114.818 > 2 9 In 0.02039290867973 0.58333333333333 0.77661154414172 114.818 > 2 10 In 0.52039290867973 0.58333333333333 0.77661154414172 114.818 > 2 11 In 0.02039290867973 0.91666666666667 0.77661154414172 114.818 > 2 12 In 0.52039290867973 0.91666666666667 0.77661154414172 114.818 > 2 *13 In 0.20258169569952 0.25000000000000 0.35532813353658 114.818 > 3 14 In 0.70258169569952 0.25000000000000 0.35532813353658 114.818 > 3 15 In 0.20258169569952 0.58333333333333 0.35532813353658 114.818 > 3 16 In 0.70258169569952 0.58333333333333 0.35532813353658 114.818 > 3 17 In 0.20258169569952 0.91666666666667 0.35532813353658 114.818 > 3 18 In 0.70258169569952 0.91666666666667 0.35532813353658 114.818 > 3 19 In 0.29741830430048 0.08333333333333 0.64467186646342 114.818 > 4 20 In 0.79741830430048 0.08333333333333 0.64467186646342 114.818 > 4 21 In 0.29741830430048 0.41666666666667 0.64467186646342 114.818 > 4 22 In 0.79741830430048 0.41666666666667 0.64467186646342 114.818 > 4 23 In 0.29741830430048 0.75000000000000 0.64467186646342 114.818 > 4 24 In 0.79741830430048 0.75000000000000 0.64467186646342 114.818 > 4 *25 Ga 0.12825294296285 0.08333333333333 0.09393695702962 69.723 > 5 26 Ga 0.62825294296285 0.08333333333333 0.09393695702962 69.723 > 5 27 Ga 0.12825294296285 0.41666666666667 0.09393695702962 69.723 > 5 28 Ga 0.62825294296285 0.41666666666667 0.09393695702962 69.723 > 5 29 Ga 0.12825294296285 0.75000000000000 0.09393695702962 69.723 > 5 30 Ga 0.62825294296285 0.75000000000000 0.09393695702962 69.723 > 5 31 Ga 0.37174705703715 0.25000000000000 0.90606304297038 69.723 > 6 32 Ga 0.87174705703715 0.25000000000000 0.90606304297038 69.723 > 6 33 Ga 0.37174705703715 0.58333333333333 0.90606304297038 69.723 > 6 34 Ga 0.87174705703715 0.58333333333333 0.90606304297038 69.723 > 6 35 Ga 0.37174705703715 0.91666666666667 0.90606304297038 69.723 > 6 36 Ga 0.87174705703715 0.91666666666667 0.90606304297038 69.723 > 6 *37 Bi 0.39785930721797 0.25000000000000 0.39592364481530 208.980 > 7 38 Bi 0.89785930721797 0.25000000000000 0.39592364481530 208.980 > 7 39 Bi 0.39785930721797 0.58333333333333 0.39592364481530 208.980 > 7 40 Bi 0.89785930721797 0.58333333333333 0.39592364481530 208.980 > 7 41 Bi 0.39785930721797 0.91666666666667 0.39592364481530 208.980 > 7 42 Bi 0.89785930721797 0.91666666666667 0.39592364481530 208.980 > 7 43 Bi 0.10214069278203 0.08333333333333 0.60407635518470 208.980 > 8 44 Bi 0.60214069278203 0.08333333333333 0.60407635518470 208.980 > 8 45 Bi 0.10214069278203 0.41666666666667 0.60407635518470 208.980 > 8 46 Bi 0.60214069278203 0.41666666666667 0.60407635518470 208.980 > 8 47 Bi 0.10214069278203 0.75000000000000 0.60407635518470 208.980 > 8 48 Bi 0.60214069278203 0.75000000000000 0.60407635518470 208.980 > 8 *49 S 0.38837774989432 0.25000000000000 0.73172087417068 32.065 > 9 50 S 0.88837774989432 0.25000000000000 0.73172087417068 32.065 > 9 51 S 0.38837774989432 0.58333333333333 0.73172087417068 32.065 > 9 52 S 0.88837774989432 0.58333333333333 0.73172087417068 32.065 > 9 53 S 0.38837774989432 0.91666666666667 0.73172087417068 32.065 > 9 54 S 0.88837774989432 0.91666666666667 0.73172087417068 32.065 > 9 *55 S 0.29390003760029 0.08333333333333 0.43080137776910 32.065 > 10 56 S 0.79390003760029 0.08333333333333 0.43080137776910 32.065 > 10 57 S 0.29390003760029 0.41666666666667 0.43080137776910 32.065 > 10 58 S 0.79390003760029 0.41666666666667 0.43080137776910 32.065 > 10 59 S 0.29390003760029 0.75000000000000 0.43080137776910 32.065 > 10 60 S 0.79390003760029 0.75000000000000 0.43080137776910 32.065 > 10 *61 S 0.01875739449389 0.25000000000000 0.39769132602907 32.065 > 11 62 S 0.51875739449389 0.25000000000000 0.39769132602907 32.065 > 11 63 S 0.01875739449389 0.58333333333333 0.39769132602907 32.065 > 11 64 S 0.51875739449389 0.58333333333333 0.39769132602907 32.065 > 11 65 S 0.01875739449389 0.91666666666667 0.39769132602907 32.065 > 11 66 S 0.51875739449389 0.91666666666667 0.39769132602907 32.065 > 11 *67 S 0.30523448477853 0.08333333333333 0.87028149675986 32.065 > 12 68 S 0.80523448477853 0.08333333333333 0.87028149675986 32.065 > 12 69 S 0.30523448477853 0.41666666666667 0.87028149675986 32.065 > 12 70 S 0.80523448477853 0.41666666666667 0.87028149675986 32.065 > 12 71 S 0.30523448477853 0.75000000000000 0.87028149675986 32.065 > 12 72 S 0.80523448477853 0.75000000000000 0.87028149675986 32.065 > 12 73 S 0.19476551522147 0.25000000000000 0.12971850324014 32.065 > 13 74 S 0.69476551522147 0.25000000000000 0.12971850324014 32.065 > 13 75 S 0.19476551522147 0.58333333333333 0.12971850324014 32.065 > 13 76 S 0.69476551522147 0.58333333333333 0.12971850324014 32.065 > 13 77 S 0.19476551522147 0.91666666666667 0.12971850324014 32.065 > 13 78 S 0.69476551522147 0.91666666666667 0.12971850324014 32.065 > 13 79 S 0.11162225010568 0.08333333333333 0.26827912582932 32.065 > 14 80 S 0.61162225010568 0.08333333333333 0.26827912582932 32.065 > 14 81 S 0.11162225010568 0.41666666666667 0.26827912582932 32.065 > 14 82 S 0.61162225010568 0.41666666666667 0.26827912582932 32.065 > 14 83 S 0.11162225010568 0.75000000000000 0.26827912582932 32.065 > 14 84 S 0.61162225010568 0.75000000000000 0.26827912582932 32.065 > 14 85 S 0.48124260550611 0.08333333333333 0.60230867397093 32.065 > 15 86 S 0.98124260550611 0.08333333333333 0.60230867397093 32.065 > 15 87 S 0.48124260550611 0.41666666666667 0.60230867397093 32.065 > 15 88 S 0.98124260550611 0.41666666666667 0.60230867397093 32.065 > 15 89 S 0.48124260550611 0.75000000000000 0.60230867397093 32.065 > 15 90 S 0.98124260550611 0.75000000000000 0.60230867397093 32.065 > 15 *91 S 0.46995769468692 0.25000000000000 0.07820845496761 32.065 > 16 92 S 0.96995769468692 0.25000000000000 0.07820845496761 32.065 > 16 93 S 0.46995769468692 0.58333333333333 0.07820845496761 32.065 > 16 94 S 0.96995769468692 0.58333333333333 0.07820845496761 32.065 > 16 95 S 0.46995769468692 0.91666666666667 0.07820845496761 32.065 > 16 96 S 0.96995769468692 0.91666666666667 0.07820845496761 32.065 > 16 97 S 0.03004230531308 0.08333333333333 0.92179154503240 32.065 > 17 98 S 0.53004230531308 0.08333333333333 0.92179154503240 32.065 > 17 99 S 0.03004230531308 0.41666666666667 0.92179154503240 32.065 > 17 100 S 0.53004230531308 0.41666666666667 0.92179154503240 32.065 > 17 101 S 0.03004230531308 0.75000000000000 0.92179154503240 32.065 > 17 102 S 0.53004230531308 0.75000000000000 0.92179154503240 32.065 > 17 103 S 0.20609996239971 0.25000000000000 0.56919862223090 32.065 > 18 104 S 0.70609996239971 0.25000000000000 0.56919862223090 32.065 > 18 105 S 0.20609996239971 0.58333333333333 0.56919862223090 32.065 > 18 106 S 0.70609996239971 0.58333333333333 0.56919862223090 32.065 > 18 107 S 0.20609996239971 0.91666666666667 0.56919862223090 32.065 > 18 108 S 0.70609996239971 0.91666666666667 0.56919862223090 32.065 > 18 *109 S 0.36519013869987 0.08333333333333 0.22452132528945 32.065 > 19 110 S 0.86519013869987 0.08333333333333 0.22452132528945 32.065 > 19 111 S 0.36519013869987 0.41666666666667 0.22452132528945 32.065 > 19 112 S 0.86519013869987 0.41666666666667 0.22452132528945 32.065 > 19 113 S 0.36519013869987 0.75000000000000 0.22452132528945 32.065 > 19 114 S 0.86519013869987 0.75000000000000 0.22452132528945 32.065 > 19 115 S 0.13480986130013 0.25000000000000 0.77547867471055 32.065 > 20 116 S 0.63480986130013 0.25000000000000 0.77547867471055 32.065 > 20 117 S 0.13480986130013 0.58333333333333 0.77547867471055 32.065 > 20 118 S 0.63480986130013 0.58333333333333 0.77547867471055 32.065 > 20 119 S 0.13480986130013 0.91666666666667 0.77547867471055 32.065 > 20 120 S 0.63480986130013 0.91666666666667 0.77547867471055 32.065 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2280948 0.0000000 -0.1867053 0.0000000 9.9392484 0.0000000 -0.1867155 0.0000000 7.7019826 -------------------------- Born effective charges -------------------------- 1 In 3.5152808 0.0000000 -0.8062044 0.0000000 4.2446227 0.0000000 -1.3897119 0.0000000 3.7187455 2 In 3.5152808 0.0000000 -0.8062044 0.0000000 4.2446227 0.0000000 -1.3897119 0.0000000 3.7187455 3 In 3.0898325 0.0000000 0.9689073 0.0000000 4.1620699 0.0000000 0.3796503 0.0000000 3.5337010 4 In 3.0898325 0.0000000 0.9689073 0.0000000 4.1620699 0.0000000 0.3796503 0.0000000 3.5337010 5 Ga 1.4007866 0.0000000 -0.1895638 0.0000000 3.0080848 0.0000000 0.8864049 0.0000000 3.6040845 6 Ga 1.4007866 0.0000000 -0.1895638 0.0000000 3.0080848 0.0000000 0.8864049 0.0000000 3.6040845 7 Bi 4.6512306 0.0000000 -0.2727754 0.0000000 6.0335779 0.0000000 0.1364772 0.0000000 2.4473904 8 Bi 4.6512306 0.0000000 -0.2727754 0.0000000 6.0335779 0.0000000 0.1364772 0.0000000 2.4473904 9 S -2.7027028 0.0000000 -0.0679150 0.0000000 -1.9953458 0.0000000 -0.0714727 0.0000000 -2.1389164 10 S -3.6601009 0.0000000 -0.0897491 0.0000000 -3.1869784 0.0000000 -0.1117014 0.0000000 -1.9542848 11 S -2.7349654 0.0000000 0.2617450 0.0000000 -3.5402024 0.0000000 0.0040169 0.0000000 -2.4037898 12 S -0.9520833 0.0000000 -0.2204455 0.0000000 -2.8323252 0.0000000 -0.1824874 0.0000000 -2.0508992 13 S -0.9520833 0.0000000 -0.2204455 0.0000000 -2.8323252 0.0000000 -0.1824874 0.0000000 -2.0508992 14 S -2.7027028 0.0000000 -0.0679150 0.0000000 -1.9953458 0.0000000 -0.0714727 0.0000000 -2.1389164 15 S -2.7349654 0.0000000 0.2617450 0.0000000 -3.5402024 0.0000000 0.0040169 0.0000000 -2.4037898 16 S -1.1332655 0.0000000 -0.1061773 0.0000000 -2.0466915 0.0000000 -0.3028111 0.0000000 -3.2135994 17 S -1.1332655 0.0000000 -0.1061773 0.0000000 -2.0466915 0.0000000 -0.3028111 0.0000000 -3.2135994 18 S -3.6601009 0.0000000 -0.0897491 0.0000000 -3.1869784 0.0000000 -0.1117014 0.0000000 -1.9542848 19 S -1.4740125 0.0000000 0.5221782 0.0000000 -3.8468120 0.0000000 0.6516351 0.0000000 -1.5424318 20 S -1.4740125 0.0000000 0.5221782 0.0000000 -3.8468120 0.0000000 0.6516351 0.0000000 -1.5424318 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.764 Solver_block: 200 / 640 - Time: 0.673 Solver_block: 300 / 640 - Time: 0.674 Solver_block: 400 / 640 - Time: 0.666 Solver_block: 500 / 640 - Time: 0.668 Solver_block: 600 / 640 - Time: 0.672 Solver_block: 640 / 640 - Time: 0.352 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.587 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 12:29:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:29:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.130340010630809 0.000000000000000 0.000000000000000 b 0.000000000000000 3.793000670000000 0.000000000000000 c -5.562633520988165 0.000000000000000 10.922698313614173 Atomic positions (fractional): 1 In 0.95921418264054 0.25000000000000 0.22338845585828 114.818 2 In 0.04078581735946 0.75000000000000 0.77661154414172 114.818 3 In 0.40516339139904 0.75000000000000 0.35532813353658 114.818 4 In 0.59483660860096 0.25000000000000 0.64467186646342 114.818 5 Ga 0.25650588592570 0.25000000000000 0.09393695702962 69.723 6 Ga 0.74349411407430 0.75000000000000 0.90606304297038 69.723 7 Bi 0.79571861443594 0.75000000000000 0.39592364481530 208.980 8 Bi 0.20428138556406 0.25000000000000 0.60407635518470 208.980 9 S 0.77675549978865 0.75000000000000 0.73172087417068 32.065 10 S 0.58780007520059 0.25000000000000 0.43080137776910 32.065 11 S 0.03751478898779 0.75000000000000 0.39769132602907 32.065 12 S 0.61046896955706 0.25000000000000 0.87028149675986 32.065 13 S 0.38953103044294 0.75000000000000 0.12971850324014 32.065 14 S 0.22324450021135 0.25000000000000 0.26827912582932 32.065 15 S 0.96248521101221 0.25000000000000 0.60230867397093 32.065 16 S 0.93991538937385 0.75000000000000 0.07820845496761 32.065 17 S 0.06008461062615 0.25000000000000 0.92179154503240 32.065 18 S 0.41219992479941 0.75000000000000 0.56919862223090 32.065 19 S 0.73038027739975 0.25000000000000 0.22452132528945 32.065 20 S 0.26961972260025 0.75000000000000 0.77547867471055 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.260680021261617 0.000000000000000 0.000000000000000 b 0.000000000000000 11.379002010000001 0.000000000000000 c -5.562633520988165 0.000000000000000 10.922698313614173 Atomic positions (fractional): 1 In 0.47960709132027 0.08333333333333 0.22338845585828 114.818 > 1 2 In 0.97960709132027 0.08333333333333 0.22338845585828 114.818 > 1 3 In 0.47960709132027 0.41666666666667 0.22338845585828 114.818 > 1 4 In 0.97960709132027 0.41666666666667 0.22338845585828 114.818 > 1 5 In 0.47960709132027 0.75000000000000 0.22338845585828 114.818 > 1 6 In 0.97960709132027 0.75000000000000 0.22338845585828 114.818 > 1 7 In 0.02039290867973 0.25000000000000 0.77661154414172 114.818 > 7 8 In 0.52039290867973 0.25000000000000 0.77661154414172 114.818 > 7 9 In 0.02039290867973 0.58333333333333 0.77661154414172 114.818 > 7 10 In 0.52039290867973 0.58333333333333 0.77661154414172 114.818 > 7 11 In 0.02039290867973 0.91666666666667 0.77661154414172 114.818 > 7 12 In 0.52039290867973 0.91666666666667 0.77661154414172 114.818 > 7 13 In 0.20258169569952 0.25000000000000 0.35532813353658 114.818 > 13 14 In 0.70258169569952 0.25000000000000 0.35532813353658 114.818 > 13 15 In 0.20258169569952 0.58333333333333 0.35532813353658 114.818 > 13 16 In 0.70258169569952 0.58333333333333 0.35532813353658 114.818 > 13 17 In 0.20258169569952 0.91666666666667 0.35532813353658 114.818 > 13 18 In 0.70258169569952 0.91666666666667 0.35532813353658 114.818 > 13 19 In 0.29741830430048 0.08333333333333 0.64467186646342 114.818 > 19 20 In 0.79741830430048 0.08333333333333 0.64467186646342 114.818 > 19 21 In 0.29741830430048 0.41666666666667 0.64467186646342 114.818 > 19 22 In 0.79741830430048 0.41666666666667 0.64467186646342 114.818 > 19 23 In 0.29741830430048 0.75000000000000 0.64467186646342 114.818 > 19 24 In 0.79741830430048 0.75000000000000 0.64467186646342 114.818 > 19 25 Ga 0.12825294296285 0.08333333333333 0.09393695702962 69.723 > 25 26 Ga 0.62825294296285 0.08333333333333 0.09393695702962 69.723 > 25 27 Ga 0.12825294296285 0.41666666666667 0.09393695702962 69.723 > 25 28 Ga 0.62825294296285 0.41666666666667 0.09393695702962 69.723 > 25 29 Ga 0.12825294296285 0.75000000000000 0.09393695702962 69.723 > 25 30 Ga 0.62825294296285 0.75000000000000 0.09393695702962 69.723 > 25 31 Ga 0.37174705703715 0.25000000000000 0.90606304297038 69.723 > 31 32 Ga 0.87174705703715 0.25000000000000 0.90606304297038 69.723 > 31 33 Ga 0.37174705703715 0.58333333333333 0.90606304297038 69.723 > 31 34 Ga 0.87174705703715 0.58333333333333 0.90606304297038 69.723 > 31 35 Ga 0.37174705703715 0.91666666666667 0.90606304297038 69.723 > 31 36 Ga 0.87174705703715 0.91666666666667 0.90606304297038 69.723 > 31 37 Bi 0.39785930721797 0.25000000000000 0.39592364481530 208.980 > 37 38 Bi 0.89785930721797 0.25000000000000 0.39592364481530 208.980 > 37 39 Bi 0.39785930721797 0.58333333333333 0.39592364481530 208.980 > 37 40 Bi 0.89785930721797 0.58333333333333 0.39592364481530 208.980 > 37 41 Bi 0.39785930721797 0.91666666666667 0.39592364481530 208.980 > 37 42 Bi 0.89785930721797 0.91666666666667 0.39592364481530 208.980 > 37 43 Bi 0.10214069278203 0.08333333333333 0.60407635518470 208.980 > 43 44 Bi 0.60214069278203 0.08333333333333 0.60407635518470 208.980 > 43 45 Bi 0.10214069278203 0.41666666666667 0.60407635518470 208.980 > 43 46 Bi 0.60214069278203 0.41666666666667 0.60407635518470 208.980 > 43 47 Bi 0.10214069278203 0.75000000000000 0.60407635518470 208.980 > 43 48 Bi 0.60214069278203 0.75000000000000 0.60407635518470 208.980 > 43 49 S 0.38837774989432 0.25000000000000 0.73172087417068 32.065 > 49 50 S 0.88837774989432 0.25000000000000 0.73172087417068 32.065 > 49 51 S 0.38837774989432 0.58333333333333 0.73172087417068 32.065 > 49 52 S 0.88837774989432 0.58333333333333 0.73172087417068 32.065 > 49 53 S 0.38837774989432 0.91666666666667 0.73172087417068 32.065 > 49 54 S 0.88837774989432 0.91666666666667 0.73172087417068 32.065 > 49 55 S 0.29390003760029 0.08333333333333 0.43080137776910 32.065 > 55 56 S 0.79390003760029 0.08333333333333 0.43080137776910 32.065 > 55 57 S 0.29390003760029 0.41666666666667 0.43080137776910 32.065 > 55 58 S 0.79390003760029 0.41666666666667 0.43080137776910 32.065 > 55 59 S 0.29390003760029 0.75000000000000 0.43080137776910 32.065 > 55 60 S 0.79390003760029 0.75000000000000 0.43080137776910 32.065 > 55 61 S 0.01875739449389 0.25000000000000 0.39769132602907 32.065 > 61 62 S 0.51875739449389 0.25000000000000 0.39769132602907 32.065 > 61 63 S 0.01875739449389 0.58333333333333 0.39769132602907 32.065 > 61 64 S 0.51875739449389 0.58333333333333 0.39769132602907 32.065 > 61 65 S 0.01875739449389 0.91666666666667 0.39769132602907 32.065 > 61 66 S 0.51875739449389 0.91666666666667 0.39769132602907 32.065 > 61 67 S 0.30523448477853 0.08333333333333 0.87028149675986 32.065 > 67 68 S 0.80523448477853 0.08333333333333 0.87028149675986 32.065 > 67 69 S 0.30523448477853 0.41666666666667 0.87028149675986 32.065 > 67 70 S 0.80523448477853 0.41666666666667 0.87028149675986 32.065 > 67 71 S 0.30523448477853 0.75000000000000 0.87028149675986 32.065 > 67 72 S 0.80523448477853 0.75000000000000 0.87028149675986 32.065 > 67 73 S 0.19476551522147 0.25000000000000 0.12971850324014 32.065 > 73 74 S 0.69476551522147 0.25000000000000 0.12971850324014 32.065 > 73 75 S 0.19476551522147 0.58333333333333 0.12971850324014 32.065 > 73 76 S 0.69476551522147 0.58333333333333 0.12971850324014 32.065 > 73 77 S 0.19476551522147 0.91666666666667 0.12971850324014 32.065 > 73 78 S 0.69476551522147 0.91666666666667 0.12971850324014 32.065 > 73 79 S 0.11162225010568 0.08333333333333 0.26827912582932 32.065 > 79 80 S 0.61162225010568 0.08333333333333 0.26827912582932 32.065 > 79 81 S 0.11162225010568 0.41666666666667 0.26827912582932 32.065 > 79 82 S 0.61162225010568 0.41666666666667 0.26827912582932 32.065 > 79 83 S 0.11162225010568 0.75000000000000 0.26827912582932 32.065 > 79 84 S 0.61162225010568 0.75000000000000 0.26827912582932 32.065 > 79 85 S 0.48124260550611 0.08333333333333 0.60230867397093 32.065 > 85 86 S 0.98124260550611 0.08333333333333 0.60230867397093 32.065 > 85 87 S 0.48124260550611 0.41666666666667 0.60230867397093 32.065 > 85 88 S 0.98124260550611 0.41666666666667 0.60230867397093 32.065 > 85 89 S 0.48124260550611 0.75000000000000 0.60230867397093 32.065 > 85 90 S 0.98124260550611 0.75000000000000 0.60230867397093 32.065 > 85 91 S 0.46995769468692 0.25000000000000 0.07820845496761 32.065 > 91 92 S 0.96995769468692 0.25000000000000 0.07820845496761 32.065 > 91 93 S 0.46995769468692 0.58333333333333 0.07820845496761 32.065 > 91 94 S 0.96995769468692 0.58333333333333 0.07820845496761 32.065 > 91 95 S 0.46995769468692 0.91666666666667 0.07820845496761 32.065 > 91 96 S 0.96995769468692 0.91666666666667 0.07820845496761 32.065 > 91 97 S 0.03004230531308 0.08333333333333 0.92179154503240 32.065 > 97 98 S 0.53004230531308 0.08333333333333 0.92179154503240 32.065 > 97 99 S 0.03004230531308 0.41666666666667 0.92179154503240 32.065 > 97 100 S 0.53004230531308 0.41666666666667 0.92179154503240 32.065 > 97 101 S 0.03004230531308 0.75000000000000 0.92179154503240 32.065 > 97 102 S 0.53004230531308 0.75000000000000 0.92179154503240 32.065 > 97 103 S 0.20609996239971 0.25000000000000 0.56919862223090 32.065 > 103 104 S 0.70609996239971 0.25000000000000 0.56919862223090 32.065 > 103 105 S 0.20609996239971 0.58333333333333 0.56919862223090 32.065 > 103 106 S 0.70609996239971 0.58333333333333 0.56919862223090 32.065 > 103 107 S 0.20609996239971 0.91666666666667 0.56919862223090 32.065 > 103 108 S 0.70609996239971 0.91666666666667 0.56919862223090 32.065 > 103 109 S 0.36519013869987 0.08333333333333 0.22452132528945 32.065 > 109 110 S 0.86519013869987 0.08333333333333 0.22452132528945 32.065 > 109 111 S 0.36519013869987 0.41666666666667 0.22452132528945 32.065 > 109 112 S 0.86519013869987 0.41666666666667 0.22452132528945 32.065 > 109 113 S 0.36519013869987 0.75000000000000 0.22452132528945 32.065 > 109 114 S 0.86519013869987 0.75000000000000 0.22452132528945 32.065 > 109 115 S 0.13480986130013 0.25000000000000 0.77547867471055 32.065 > 115 116 S 0.63480986130013 0.25000000000000 0.77547867471055 32.065 > 115 117 S 0.13480986130013 0.58333333333333 0.77547867471055 32.065 > 115 118 S 0.63480986130013 0.58333333333333 0.77547867471055 32.065 > 115 119 S 0.13480986130013 0.91666666666667 0.77547867471055 32.065 > 115 120 S 0.63480986130013 0.91666666666667 0.77547867471055 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2280948 0.0000000 -0.1867053 0.0000000 9.9392484 0.0000000 -0.1867155 0.0000000 7.7019826 -------------------------- Born effective charges -------------------------- 1 In 3.5152808 0.0000000 -0.8062044 0.0000000 4.2446227 0.0000000 -1.3897119 0.0000000 3.7187455 2 In 3.5152808 0.0000000 -0.8062044 0.0000000 4.2446227 0.0000000 -1.3897119 0.0000000 3.7187455 3 In 3.0898325 0.0000000 0.9689073 0.0000000 4.1620699 0.0000000 0.3796503 0.0000000 3.5337010 4 In 3.0898325 0.0000000 0.9689073 0.0000000 4.1620699 0.0000000 0.3796503 0.0000000 3.5337010 5 Ga 1.4007866 0.0000000 -0.1895638 0.0000000 3.0080848 0.0000000 0.8864049 0.0000000 3.6040845 6 Ga 1.4007866 0.0000000 -0.1895638 0.0000000 3.0080848 0.0000000 0.8864049 0.0000000 3.6040845 7 Bi 4.6512306 0.0000000 -0.2727754 0.0000000 6.0335779 0.0000000 0.1364772 0.0000000 2.4473904 8 Bi 4.6512306 0.0000000 -0.2727754 0.0000000 6.0335779 0.0000000 0.1364772 0.0000000 2.4473904 9 S -2.7027028 0.0000000 -0.0679150 0.0000000 -1.9953458 0.0000000 -0.0714727 0.0000000 -2.1389164 10 S -3.6601009 0.0000000 -0.0897491 0.0000000 -3.1869784 0.0000000 -0.1117014 0.0000000 -1.9542848 11 S -2.7349654 0.0000000 0.2617450 0.0000000 -3.5402024 0.0000000 0.0040169 0.0000000 -2.4037898 12 S -0.9520833 0.0000000 -0.2204455 0.0000000 -2.8323252 0.0000000 -0.1824874 0.0000000 -2.0508992 13 S -0.9520833 0.0000000 -0.2204455 0.0000000 -2.8323252 0.0000000 -0.1824874 0.0000000 -2.0508992 14 S -2.7027028 0.0000000 -0.0679150 0.0000000 -1.9953458 0.0000000 -0.0714727 0.0000000 -2.1389164 15 S -2.7349654 0.0000000 0.2617450 0.0000000 -3.5402024 0.0000000 0.0040169 0.0000000 -2.4037898 16 S -1.1332655 0.0000000 -0.1061773 0.0000000 -2.0466915 0.0000000 -0.3028111 0.0000000 -3.2135994 17 S -1.1332655 0.0000000 -0.1061773 0.0000000 -2.0466915 0.0000000 -0.3028111 0.0000000 -3.2135994 18 S -3.6601009 0.0000000 -0.0897491 0.0000000 -3.1869784 0.0000000 -0.1117014 0.0000000 -1.9542848 19 S -1.4740125 0.0000000 0.5221782 0.0000000 -3.8468120 0.0000000 0.6516351 0.0000000 -1.5424318 20 S -1.4740125 0.0000000 0.5221782 0.0000000 -3.8468120 0.0000000 0.6516351 0.0000000 -1.5424318 ---------------------------------------------------------------------------- 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 37, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 55, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 61, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 67, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 91, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 109, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 12:30:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:30:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.130340010630809 0.000000000000000 0.000000000000000 b 0.000000000000000 3.793000670000000 0.000000000000000 c -5.562633520988165 0.000000000000000 10.922698313614173 Atomic positions (fractional): 1 In 0.95921418264054 0.25000000000000 0.22338845585828 114.818 2 In 0.04078581735946 0.75000000000000 0.77661154414172 114.818 3 In 0.40516339139904 0.75000000000000 0.35532813353658 114.818 4 In 0.59483660860096 0.25000000000000 0.64467186646342 114.818 5 Ga 0.25650588592570 0.25000000000000 0.09393695702962 69.723 6 Ga 0.74349411407430 0.75000000000000 0.90606304297038 69.723 7 Bi 0.79571861443594 0.75000000000000 0.39592364481530 208.980 8 Bi 0.20428138556406 0.25000000000000 0.60407635518470 208.980 9 S 0.77675549978865 0.75000000000000 0.73172087417068 32.065 10 S 0.58780007520059 0.25000000000000 0.43080137776910 32.065 11 S 0.03751478898779 0.75000000000000 0.39769132602907 32.065 12 S 0.61046896955706 0.25000000000000 0.87028149675986 32.065 13 S 0.38953103044294 0.75000000000000 0.12971850324014 32.065 14 S 0.22324450021135 0.25000000000000 0.26827912582932 32.065 15 S 0.96248521101221 0.25000000000000 0.60230867397093 32.065 16 S 0.93991538937385 0.75000000000000 0.07820845496761 32.065 17 S 0.06008461062615 0.25000000000000 0.92179154503240 32.065 18 S 0.41219992479941 0.75000000000000 0.56919862223090 32.065 19 S 0.73038027739975 0.25000000000000 0.22452132528945 32.065 20 S 0.26961972260025 0.75000000000000 0.77547867471055 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.260680021261617 0.000000000000000 0.000000000000000 b 0.000000000000000 11.379002010000001 0.000000000000000 c -5.562633520988165 0.000000000000000 10.922698313614173 Atomic positions (fractional): 1 In 0.47960709132027 0.08333333333333 0.22338845585828 114.818 > 1 2 In 0.97960709132027 0.08333333333333 0.22338845585828 114.818 > 1 3 In 0.47960709132027 0.41666666666667 0.22338845585828 114.818 > 1 4 In 0.97960709132027 0.41666666666667 0.22338845585828 114.818 > 1 5 In 0.47960709132027 0.75000000000000 0.22338845585828 114.818 > 1 6 In 0.97960709132027 0.75000000000000 0.22338845585828 114.818 > 1 7 In 0.02039290867973 0.25000000000000 0.77661154414172 114.818 > 7 8 In 0.52039290867973 0.25000000000000 0.77661154414172 114.818 > 7 9 In 0.02039290867973 0.58333333333333 0.77661154414172 114.818 > 7 10 In 0.52039290867973 0.58333333333333 0.77661154414172 114.818 > 7 11 In 0.02039290867973 0.91666666666667 0.77661154414172 114.818 > 7 12 In 0.52039290867973 0.91666666666667 0.77661154414172 114.818 > 7 13 In 0.20258169569952 0.25000000000000 0.35532813353658 114.818 > 13 14 In 0.70258169569952 0.25000000000000 0.35532813353658 114.818 > 13 15 In 0.20258169569952 0.58333333333333 0.35532813353658 114.818 > 13 16 In 0.70258169569952 0.58333333333333 0.35532813353658 114.818 > 13 17 In 0.20258169569952 0.91666666666667 0.35532813353658 114.818 > 13 18 In 0.70258169569952 0.91666666666667 0.35532813353658 114.818 > 13 19 In 0.29741830430048 0.08333333333333 0.64467186646342 114.818 > 19 20 In 0.79741830430048 0.08333333333333 0.64467186646342 114.818 > 19 21 In 0.29741830430048 0.41666666666667 0.64467186646342 114.818 > 19 22 In 0.79741830430048 0.41666666666667 0.64467186646342 114.818 > 19 23 In 0.29741830430048 0.75000000000000 0.64467186646342 114.818 > 19 24 In 0.79741830430048 0.75000000000000 0.64467186646342 114.818 > 19 25 Ga 0.12825294296285 0.08333333333333 0.09393695702962 69.723 > 25 26 Ga 0.62825294296285 0.08333333333333 0.09393695702962 69.723 > 25 27 Ga 0.12825294296285 0.41666666666667 0.09393695702962 69.723 > 25 28 Ga 0.62825294296285 0.41666666666667 0.09393695702962 69.723 > 25 29 Ga 0.12825294296285 0.75000000000000 0.09393695702962 69.723 > 25 30 Ga 0.62825294296285 0.75000000000000 0.09393695702962 69.723 > 25 31 Ga 0.37174705703715 0.25000000000000 0.90606304297038 69.723 > 31 32 Ga 0.87174705703715 0.25000000000000 0.90606304297038 69.723 > 31 33 Ga 0.37174705703715 0.58333333333333 0.90606304297038 69.723 > 31 34 Ga 0.87174705703715 0.58333333333333 0.90606304297038 69.723 > 31 35 Ga 0.37174705703715 0.91666666666667 0.90606304297038 69.723 > 31 36 Ga 0.87174705703715 0.91666666666667 0.90606304297038 69.723 > 31 37 Bi 0.39785930721797 0.25000000000000 0.39592364481530 208.980 > 37 38 Bi 0.89785930721797 0.25000000000000 0.39592364481530 208.980 > 37 39 Bi 0.39785930721797 0.58333333333333 0.39592364481530 208.980 > 37 40 Bi 0.89785930721797 0.58333333333333 0.39592364481530 208.980 > 37 41 Bi 0.39785930721797 0.91666666666667 0.39592364481530 208.980 > 37 42 Bi 0.89785930721797 0.91666666666667 0.39592364481530 208.980 > 37 43 Bi 0.10214069278203 0.08333333333333 0.60407635518470 208.980 > 43 44 Bi 0.60214069278203 0.08333333333333 0.60407635518470 208.980 > 43 45 Bi 0.10214069278203 0.41666666666667 0.60407635518470 208.980 > 43 46 Bi 0.60214069278203 0.41666666666667 0.60407635518470 208.980 > 43 47 Bi 0.10214069278203 0.75000000000000 0.60407635518470 208.980 > 43 48 Bi 0.60214069278203 0.75000000000000 0.60407635518470 208.980 > 43 49 S 0.38837774989432 0.25000000000000 0.73172087417068 32.065 > 49 50 S 0.88837774989432 0.25000000000000 0.73172087417068 32.065 > 49 51 S 0.38837774989432 0.58333333333333 0.73172087417068 32.065 > 49 52 S 0.88837774989432 0.58333333333333 0.73172087417068 32.065 > 49 53 S 0.38837774989432 0.91666666666667 0.73172087417068 32.065 > 49 54 S 0.88837774989432 0.91666666666667 0.73172087417068 32.065 > 49 55 S 0.29390003760029 0.08333333333333 0.43080137776910 32.065 > 55 56 S 0.79390003760029 0.08333333333333 0.43080137776910 32.065 > 55 57 S 0.29390003760029 0.41666666666667 0.43080137776910 32.065 > 55 58 S 0.79390003760029 0.41666666666667 0.43080137776910 32.065 > 55 59 S 0.29390003760029 0.75000000000000 0.43080137776910 32.065 > 55 60 S 0.79390003760029 0.75000000000000 0.43080137776910 32.065 > 55 61 S 0.01875739449389 0.25000000000000 0.39769132602907 32.065 > 61 62 S 0.51875739449389 0.25000000000000 0.39769132602907 32.065 > 61 63 S 0.01875739449389 0.58333333333333 0.39769132602907 32.065 > 61 64 S 0.51875739449389 0.58333333333333 0.39769132602907 32.065 > 61 65 S 0.01875739449389 0.91666666666667 0.39769132602907 32.065 > 61 66 S 0.51875739449389 0.91666666666667 0.39769132602907 32.065 > 61 67 S 0.30523448477853 0.08333333333333 0.87028149675986 32.065 > 67 68 S 0.80523448477853 0.08333333333333 0.87028149675986 32.065 > 67 69 S 0.30523448477853 0.41666666666667 0.87028149675986 32.065 > 67 70 S 0.80523448477853 0.41666666666667 0.87028149675986 32.065 > 67 71 S 0.30523448477853 0.75000000000000 0.87028149675986 32.065 > 67 72 S 0.80523448477853 0.75000000000000 0.87028149675986 32.065 > 67 73 S 0.19476551522147 0.25000000000000 0.12971850324014 32.065 > 73 74 S 0.69476551522147 0.25000000000000 0.12971850324014 32.065 > 73 75 S 0.19476551522147 0.58333333333333 0.12971850324014 32.065 > 73 76 S 0.69476551522147 0.58333333333333 0.12971850324014 32.065 > 73 77 S 0.19476551522147 0.91666666666667 0.12971850324014 32.065 > 73 78 S 0.69476551522147 0.91666666666667 0.12971850324014 32.065 > 73 79 S 0.11162225010568 0.08333333333333 0.26827912582932 32.065 > 79 80 S 0.61162225010568 0.08333333333333 0.26827912582932 32.065 > 79 81 S 0.11162225010568 0.41666666666667 0.26827912582932 32.065 > 79 82 S 0.61162225010568 0.41666666666667 0.26827912582932 32.065 > 79 83 S 0.11162225010568 0.75000000000000 0.26827912582932 32.065 > 79 84 S 0.61162225010568 0.75000000000000 0.26827912582932 32.065 > 79 85 S 0.48124260550611 0.08333333333333 0.60230867397093 32.065 > 85 86 S 0.98124260550611 0.08333333333333 0.60230867397093 32.065 > 85 87 S 0.48124260550611 0.41666666666667 0.60230867397093 32.065 > 85 88 S 0.98124260550611 0.41666666666667 0.60230867397093 32.065 > 85 89 S 0.48124260550611 0.75000000000000 0.60230867397093 32.065 > 85 90 S 0.98124260550611 0.75000000000000 0.60230867397093 32.065 > 85 91 S 0.46995769468692 0.25000000000000 0.07820845496761 32.065 > 91 92 S 0.96995769468692 0.25000000000000 0.07820845496761 32.065 > 91 93 S 0.46995769468692 0.58333333333333 0.07820845496761 32.065 > 91 94 S 0.96995769468692 0.58333333333333 0.07820845496761 32.065 > 91 95 S 0.46995769468692 0.91666666666667 0.07820845496761 32.065 > 91 96 S 0.96995769468692 0.91666666666667 0.07820845496761 32.065 > 91 97 S 0.03004230531308 0.08333333333333 0.92179154503240 32.065 > 97 98 S 0.53004230531308 0.08333333333333 0.92179154503240 32.065 > 97 99 S 0.03004230531308 0.41666666666667 0.92179154503240 32.065 > 97 100 S 0.53004230531308 0.41666666666667 0.92179154503240 32.065 > 97 101 S 0.03004230531308 0.75000000000000 0.92179154503240 32.065 > 97 102 S 0.53004230531308 0.75000000000000 0.92179154503240 32.065 > 97 103 S 0.20609996239971 0.25000000000000 0.56919862223090 32.065 > 103 104 S 0.70609996239971 0.25000000000000 0.56919862223090 32.065 > 103 105 S 0.20609996239971 0.58333333333333 0.56919862223090 32.065 > 103 106 S 0.70609996239971 0.58333333333333 0.56919862223090 32.065 > 103 107 S 0.20609996239971 0.91666666666667 0.56919862223090 32.065 > 103 108 S 0.70609996239971 0.91666666666667 0.56919862223090 32.065 > 103 109 S 0.36519013869987 0.08333333333333 0.22452132528945 32.065 > 109 110 S 0.86519013869987 0.08333333333333 0.22452132528945 32.065 > 109 111 S 0.36519013869987 0.41666666666667 0.22452132528945 32.065 > 109 112 S 0.86519013869987 0.41666666666667 0.22452132528945 32.065 > 109 113 S 0.36519013869987 0.75000000000000 0.22452132528945 32.065 > 109 114 S 0.86519013869987 0.75000000000000 0.22452132528945 32.065 > 109 115 S 0.13480986130013 0.25000000000000 0.77547867471055 32.065 > 115 116 S 0.63480986130013 0.25000000000000 0.77547867471055 32.065 > 115 117 S 0.13480986130013 0.58333333333333 0.77547867471055 32.065 > 115 118 S 0.63480986130013 0.58333333333333 0.77547867471055 32.065 > 115 119 S 0.13480986130013 0.91666666666667 0.77547867471055 32.065 > 115 120 S 0.63480986130013 0.91666666666667 0.77547867471055 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2280948 0.0000000 -0.1867053 0.0000000 9.9392484 0.0000000 -0.1867155 0.0000000 7.7019826 -------------------------- Born effective charges -------------------------- 1 In 3.5152808 0.0000000 -0.8062044 0.0000000 4.2446227 0.0000000 -1.3897119 0.0000000 3.7187455 2 In 3.5152808 0.0000000 -0.8062044 0.0000000 4.2446227 0.0000000 -1.3897119 0.0000000 3.7187455 3 In 3.0898325 0.0000000 0.9689073 0.0000000 4.1620699 0.0000000 0.3796503 0.0000000 3.5337010 4 In 3.0898325 0.0000000 0.9689073 0.0000000 4.1620699 0.0000000 0.3796503 0.0000000 3.5337010 5 Ga 1.4007866 0.0000000 -0.1895638 0.0000000 3.0080848 0.0000000 0.8864049 0.0000000 3.6040845 6 Ga 1.4007866 0.0000000 -0.1895638 0.0000000 3.0080848 0.0000000 0.8864049 0.0000000 3.6040845 7 Bi 4.6512306 0.0000000 -0.2727754 0.0000000 6.0335779 0.0000000 0.1364772 0.0000000 2.4473904 8 Bi 4.6512306 0.0000000 -0.2727754 0.0000000 6.0335779 0.0000000 0.1364772 0.0000000 2.4473904 9 S -2.7027028 0.0000000 -0.0679150 0.0000000 -1.9953458 0.0000000 -0.0714727 0.0000000 -2.1389164 10 S -3.6601009 0.0000000 -0.0897491 0.0000000 -3.1869784 0.0000000 -0.1117014 0.0000000 -1.9542848 11 S -2.7349654 0.0000000 0.2617450 0.0000000 -3.5402024 0.0000000 0.0040169 0.0000000 -2.4037898 12 S -0.9520833 0.0000000 -0.2204455 0.0000000 -2.8323252 0.0000000 -0.1824874 0.0000000 -2.0508992 13 S -0.9520833 0.0000000 -0.2204455 0.0000000 -2.8323252 0.0000000 -0.1824874 0.0000000 -2.0508992 14 S -2.7027028 0.0000000 -0.0679150 0.0000000 -1.9953458 0.0000000 -0.0714727 0.0000000 -2.1389164 15 S -2.7349654 0.0000000 0.2617450 0.0000000 -3.5402024 0.0000000 0.0040169 0.0000000 -2.4037898 16 S -1.1332655 0.0000000 -0.1061773 0.0000000 -2.0466915 0.0000000 -0.3028111 0.0000000 -3.2135994 17 S -1.1332655 0.0000000 -0.1061773 0.0000000 -2.0466915 0.0000000 -0.3028111 0.0000000 -3.2135994 18 S -3.6601009 0.0000000 -0.0897491 0.0000000 -3.1869784 0.0000000 -0.1117014 0.0000000 -1.9542848 19 S -1.4740125 0.0000000 0.5221782 0.0000000 -3.8468120 0.0000000 0.6516351 0.0000000 -1.5424318 20 S -1.4740125 0.0000000 0.5221782 0.0000000 -3.8468120 0.0000000 0.6516351 0.0000000 -1.5424318 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 5 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/91) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.153 ( 0.000 0.000 0.000) 0.000 1.202 ( 0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 8.855 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.646 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 11.291 ( 0.000 0.000 0.000) 0.000 11.444 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/91) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 14.355 0.000 11.745) 18.548 0.432 ( 16.356 0.000 10.716) 19.554 0.634 ( 26.986 0.000 10.056) 28.798 1.179 ( 8.048 0.000 -8.926) 12.018 1.185 ( -1.180 0.000 -0.294) 1.216 1.239 ( 0.023 0.000 0.799) 0.799 1.322 ( -2.584 0.000 7.096) 7.552 1.684 ( 0.535 0.000 0.537) 0.758 1.721 ( -6.131 0.000 -5.234) 8.061 1.723 ( -4.020 0.000 1.566) 4.314 1.921 ( 0.254 0.000 2.327) 2.341 1.970 ( 3.708 0.000 -2.215) 4.319 2.044 ( 1.975 0.000 -2.623) 3.283 2.089 ( -0.731 0.000 3.013) 3.100 2.233 ( -3.882 0.000 -7.303) 8.271 2.491 ( 0.818 0.000 4.334) 4.411 2.596 ( -2.215 0.000 -9.766) 10.014 2.730 ( -0.184 0.000 -0.312) 0.363 2.824 ( 0.644 0.000 0.896) 1.104 2.928 ( -2.634 0.000 -10.972) 11.283 3.378 ( -3.811 0.000 3.782) 5.369 3.558 ( 3.627 0.000 -1.369) 3.877 3.970 ( 1.651 0.000 1.113) 1.991 4.059 ( 0.088 0.000 -0.170) 0.192 4.628 ( 2.435 0.000 3.650) 4.388 5.090 ( -1.588 0.000 -0.098) 1.591 5.462 ( 4.280 0.000 0.278) 4.289 5.681 ( -1.566 0.000 -5.441) 5.662 5.788 ( -1.346 0.000 0.575) 1.464 5.970 ( -0.494 0.000 10.602) 10.614 6.187 ( -1.297 0.000 0.734) 1.490 6.305 ( -0.549 0.000 -1.153) 1.277 6.403 ( -1.412 0.000 -10.096) 10.194 6.461 ( -0.062 0.000 1.713) 1.714 6.490 ( -1.561 0.000 -0.233) 1.578 6.572 ( 1.815 0.000 0.226) 1.829 6.701 ( 1.354 0.000 -4.489) 4.689 6.729 ( -0.790 0.000 0.526) 0.950 6.848 ( 6.131 0.000 -4.466) 7.585 6.956 ( 0.904 0.000 1.278) 1.566 7.321 ( -3.221 0.000 1.806) 3.693 7.538 ( 0.079 0.000 0.025) 0.083 7.659 ( 0.925 0.000 1.797) 2.021 7.887 ( -0.203 0.000 -6.483) 6.486 7.908 ( -7.703 0.000 11.379) 13.741 7.961 ( 0.032 0.000 -0.029) 0.043 8.078 ( 1.336 0.000 -1.314) 1.874 8.240 ( -1.342 0.000 7.448) 7.568 8.285 ( 1.383 0.000 0.208) 1.399 8.625 ( 1.033 0.000 0.383) 1.102 8.701 ( -0.304 0.000 -0.482) 0.570 8.741 ( -0.715 0.000 1.460) 1.626 8.841 ( 0.086 0.000 0.068) 0.110 8.854 ( -0.070 0.000 -0.037) 0.080 9.204 ( 0.355 0.000 -1.315) 1.362 9.302 ( 0.925 0.000 1.264) 1.566 9.661 ( 0.393 0.000 2.703) 2.731 10.028 ( 2.611 0.000 -17.681) 17.872 11.322 ( 3.257 0.000 -0.075) 3.258 11.575 ( -10.491 0.000 16.370) 19.443 ======================= Grid point 2 (3/91) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 7.075 0.000 5.727) 9.102 0.716 ( 5.719 0.000 4.631) 7.360 1.067 ( 15.033 0.000 -1.460) 15.103 1.165 ( -0.770 0.000 0.189) 0.793 1.243 ( -0.123 0.000 0.448) 0.465 1.309 ( 6.521 0.000 2.677) 7.049 1.337 ( -1.799 0.000 4.152) 4.525 1.573 ( -3.836 0.000 -4.125) 5.632 1.625 ( -2.755 0.000 -0.248) 2.766 1.708 ( -1.117 0.000 -0.428) 1.196 1.956 ( -1.230 0.000 0.996) 1.583 1.998 ( 1.366 0.000 -1.337) 1.911 2.078 ( 5.575 0.000 4.710) 7.298 2.103 ( -0.347 0.000 1.629) 1.665 2.136 ( -0.755 0.000 -3.200) 3.288 2.362 ( -12.906 0.000 -6.705) 14.544 2.532 ( 0.775 0.000 0.184) 0.796 2.724 ( -0.107 0.000 -0.179) 0.208 2.819 ( -0.222 0.000 -5.243) 5.247 2.842 ( 0.364 0.000 0.506) 0.623 3.356 ( -1.429 0.000 1.611) 2.153 3.600 ( 1.637 0.000 -0.583) 1.738 4.006 ( 1.130 0.000 0.268) 1.161 4.059 ( 0.056 0.000 -0.105) 0.119 4.697 ( 1.450 0.000 1.995) 2.466 5.066 ( -0.762 0.000 -0.049) 0.763 5.541 ( 3.153 0.000 0.186) 3.159 5.617 ( -0.955 0.000 -2.409) 2.592 5.761 ( -1.595 0.000 0.318) 1.626 6.044 ( 0.138 0.000 4.577) 4.579 6.173 ( -1.204 0.000 1.596) 1.999 6.287 ( -0.249 0.000 -0.663) 0.708 6.309 ( -0.647 0.000 -4.143) 4.193 6.467 ( -0.702 0.000 -0.104) 0.710 6.509 ( 1.882 0.000 2.425) 3.070 6.600 ( 0.956 0.000 0.052) 0.957 6.633 ( -1.477 0.000 -5.755) 5.942 6.719 ( -0.640 0.000 0.335) 0.723 6.903 ( 0.758 0.000 1.615) 1.784 6.975 ( 0.431 0.000 -0.272) 0.510 7.310 ( 0.237 0.000 0.838) 0.871 7.540 ( 0.049 0.000 0.015) 0.051 7.673 ( 0.452 0.000 -1.749) 1.807 7.796 ( -2.588 0.000 -0.041) 2.588 7.927 ( -0.275 0.000 2.249) 2.266 7.961 ( 0.020 0.000 -0.018) 0.027 8.107 ( 1.978 0.000 -0.479) 2.035 8.226 ( -2.734 0.000 2.134) 3.468 8.334 ( 1.949 0.000 -0.246) 1.964 8.654 ( 1.747 0.000 -0.027) 1.747 8.689 ( -0.975 0.000 0.371) 1.043 8.737 ( -0.796 0.000 0.791) 1.122 8.844 ( 0.068 0.000 0.052) 0.085 8.852 ( -0.058 0.000 -0.033) 0.067 9.197 ( -0.038 0.000 -0.471) 0.472 9.332 ( 0.761 0.000 0.834) 1.130 9.713 ( 1.217 0.000 4.781) 4.934 9.896 ( -1.847 0.000 -9.481) 9.660 11.392 ( 4.264 0.000 -0.925) 4.363 11.521 ( -5.839 0.000 5.232) 7.840 ======================= Grid point 5 (4/91) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 0.000 17.876 0.000) 17.876 0.484 ( 0.000 23.489 0.000) 23.489 0.834 ( 0.000 38.187 0.000) 38.187 1.170 ( 0.000 2.060 0.000) 2.060 1.287 ( 0.000 3.480 0.000) 3.480 1.410 ( 0.000 16.645 0.000) 16.645 1.454 ( 0.000 13.330 0.000) 13.330 1.601 ( 0.000 -4.550 0.000) 4.550 1.692 ( 0.000 1.422 0.000) 1.422 1.757 ( 0.000 -0.607 0.000) 0.607 1.917 ( 0.000 0.827 0.000) 0.827 2.062 ( 0.000 5.628 0.000) 5.628 2.144 ( 0.000 13.203 0.000) 13.203 2.222 ( 0.000 13.365 0.000) 13.365 2.311 ( 0.000 6.024 0.000) 6.024 2.401 ( 0.000 -1.956 0.000) 1.956 2.552 ( 0.000 2.665 0.000) 2.665 2.833 ( 0.000 6.081 0.000) 6.081 2.967 ( 0.000 13.733 0.000) 13.733 3.139 ( 0.000 13.341 0.000) 13.341 3.376 ( 0.000 -1.563 0.000) 1.563 3.462 ( 0.000 -5.253 0.000) 5.253 3.935 ( 0.000 0.869 0.000) 0.869 4.544 ( 0.000 -3.476 0.000) 3.476 5.094 ( 0.000 17.874 0.000) 17.874 5.502 ( 0.000 5.994 0.000) 5.994 5.582 ( 0.000 11.427 0.000) 11.427 5.671 ( 0.000 -4.234 0.000) 4.234 5.775 ( 0.000 0.530 0.000) 0.530 5.958 ( 0.000 -3.388 0.000) 3.388 6.009 ( 0.000 -4.842 0.000) 4.842 6.216 ( 0.000 2.682 0.000) 2.682 6.320 ( 0.000 -6.979 0.000) 6.979 6.432 ( 0.000 -3.161 0.000) 3.161 6.554 ( 0.000 6.125 0.000) 6.125 6.650 ( 0.000 0.713 0.000) 0.713 6.720 ( 0.000 1.156 0.000) 1.156 6.815 ( 0.000 2.673 0.000) 2.673 6.957 ( 0.000 2.271 0.000) 2.271 7.008 ( 0.000 11.252 0.000) 11.252 7.217 ( 0.000 5.121 0.000) 5.121 7.329 ( 0.000 -2.338 0.000) 2.338 7.870 ( 0.000 0.520 0.000) 0.520 7.919 ( 0.000 0.781 0.000) 0.781 7.958 ( 0.000 -2.022 0.000) 2.022 8.073 ( 0.000 8.030 0.000) 8.030 8.124 ( 0.000 2.239 0.000) 2.239 8.153 ( 0.000 0.453 0.000) 0.453 8.255 ( 0.000 0.311 0.000) 0.311 8.536 ( 0.000 -4.581 0.000) 4.581 8.539 ( 0.000 -7.269 0.000) 7.269 8.717 ( 0.000 -1.834 0.000) 1.834 8.925 ( 0.000 4.337 0.000) 4.337 9.164 ( 0.000 -0.834 0.000) 0.834 9.234 ( 0.000 -4.791 0.000) 4.791 9.554 ( 0.000 -3.111 0.000) 3.111 9.715 ( 0.000 5.096 0.000) 5.096 9.870 ( 0.000 -1.949 0.000) 1.949 11.252 ( 0.000 -3.757 0.000) 3.757 11.396 ( 0.000 -4.562 0.000) 4.562 ======================= Grid point 6 (5/91) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 21.793 6.546 -0.296) 22.757 0.591 ( 8.079 16.623 6.090) 19.459 0.965 ( 5.743 26.380 6.874) 27.859 1.202 ( 7.072 3.268 -5.008) 9.261 1.321 ( -0.662 3.712 6.424) 7.449 1.403 ( 0.882 17.390 0.274) 17.415 1.444 ( -1.200 14.012 1.069) 14.104 1.586 ( -1.719 -4.815 -0.538) 5.141 1.688 ( -0.501 1.108 0.049) 1.217 1.744 ( -2.766 -1.425 -1.126) 3.309 1.902 ( -2.106 2.559 0.295) 3.327 2.008 ( -0.083 2.046 0.761) 2.185 2.191 ( 1.582 11.891 -5.367) 13.142 2.225 ( -0.639 9.892 0.359) 9.920 2.275 ( 0.082 8.488 -0.781) 8.524 2.427 ( 1.675 -1.945 0.483) 2.612 2.542 ( -3.825 2.048 2.067) 4.806 2.817 ( -0.367 5.903 -0.878) 5.979 2.975 ( 0.402 13.542 -0.355) 13.552 3.075 ( -2.899 15.420 -4.965) 16.457 3.358 ( -2.658 -1.272 2.495) 3.861 3.470 ( 1.374 -5.692 -1.380) 6.016 3.969 ( 1.602 0.578 1.236) 2.104 4.570 ( 1.715 -3.501 1.655) 4.235 4.871 ( -14.659 35.993 -8.630) 39.810 5.318 ( -7.735 18.055 -1.093) 19.673 5.550 ( 4.879 3.760 -3.761) 7.217 5.629 ( -0.934 -1.668 -1.814) 2.636 5.820 ( -2.378 1.913 6.958) 7.598 5.972 ( -0.358 -1.376 2.013) 2.465 6.078 ( 3.179 -13.494 -1.104) 13.907 6.195 ( -1.633 2.156 -0.469) 2.745 6.371 ( 2.882 -1.990 -0.173) 3.506 6.431 ( -0.818 1.575 1.269) 2.181 6.557 ( 0.176 1.009 -1.705) 1.989 6.673 ( 1.546 1.116 0.824) 2.077 6.709 ( 0.466 4.053 -4.016) 5.725 6.782 ( -0.033 5.550 -2.380) 6.039 6.950 ( -1.564 7.662 -2.182) 8.118 6.974 ( -1.019 1.959 1.828) 2.867 7.307 ( 3.960 -5.506 2.999) 7.416 7.318 ( -1.455 0.155 1.675) 2.224 7.845 ( -3.368 -0.318 0.145) 3.386 7.875 ( 2.983 2.820 -6.676) 7.837 7.976 ( -5.212 7.203 2.613) 9.267 8.030 ( -0.239 1.801 -1.524) 2.371 8.113 ( 1.584 4.326 -0.768) 4.671 8.182 ( 1.503 -2.615 3.878) 4.913 8.280 ( -0.112 0.357 1.247) 1.302 8.554 ( 1.223 -6.754 0.652) 6.895 8.573 ( 1.696 -5.433 1.527) 5.893 8.713 ( -0.561 -2.084 0.512) 2.218 8.925 ( 0.121 4.052 -0.167) 4.057 9.135 ( -3.894 3.795 -0.566) 5.466 9.250 ( 0.469 -3.794 0.847) 3.916 9.289 ( -10.331 11.314 -2.540) 15.530 9.669 ( -0.623 1.510 2.863) 3.296 9.956 ( 4.288 -4.574 -10.585) 12.303 11.276 ( 2.531 -4.306 0.073) 4.995 11.449 ( -2.506 -8.194 8.891) 12.348 ======================= Grid point 7 (6/91) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 5.268 8.073 3.133) 10.136 0.875 ( 13.065 5.124 5.037) 14.910 1.037 ( -0.093 13.517 -3.205) 13.892 1.316 ( 7.119 2.146 -0.574) 7.457 1.347 ( -0.806 4.205 3.359) 5.441 1.430 ( -0.363 15.644 0.447) 15.654 1.455 ( -2.604 12.238 3.305) 12.941 1.528 ( -1.242 -1.458 -3.524) 4.012 1.629 ( -3.679 -0.284 -0.354) 3.707 1.687 ( -0.784 -0.461 -1.013) 1.361 1.966 ( 6.391 3.460 4.749) 8.681 2.041 ( 0.174 1.356 4.568) 4.768 2.099 ( -1.387 1.836 -7.763) 8.097 2.199 ( -3.680 14.847 -1.385) 15.359 2.307 ( 1.889 12.823 0.609) 12.976 2.417 ( -3.671 4.655 -2.675) 6.503 2.469 ( -1.675 -0.563 1.280) 2.182 2.813 ( 0.138 4.927 -0.146) 4.931 2.955 ( -0.497 15.814 -2.335) 15.993 3.019 ( -0.593 15.496 -0.106) 15.508 3.339 ( -1.137 -1.137 1.164) 1.985 3.479 ( 0.630 -7.359 -0.698) 7.418 3.988 ( 0.242 1.313 -0.053) 1.336 4.613 ( 1.231 12.304 0.310) 12.370 4.659 ( -3.762 21.301 -1.520) 21.684 5.246 ( -1.524 15.150 -0.041) 15.226 5.551 ( 0.164 -4.656 -2.687) 5.378 5.669 ( 3.639 8.873 1.040) 9.647 5.796 ( -3.517 0.443 1.288) 3.772 6.001 ( 0.446 -3.216 2.465) 4.077 6.103 ( 1.153 -11.776 -1.145) 11.888 6.166 ( -0.852 2.543 -0.260) 2.695 6.398 ( -0.048 5.654 -0.684) 5.695 6.440 ( 1.156 0.428 2.456) 2.748 6.515 ( -1.827 -1.780 -2.222) 3.383 6.668 ( -0.584 7.800 -2.796) 8.306 6.724 ( 2.680 5.120 0.072) 5.779 6.779 ( -0.005 4.388 0.168) 4.391 6.897 ( -2.724 -0.224 0.796) 2.847 6.978 ( 0.131 0.452 -0.020) 0.472 7.319 ( -0.196 0.937 1.215) 1.547 7.369 ( 1.495 -8.863 0.158) 8.989 7.793 ( -1.719 0.334 -1.293) 2.177 7.859 ( 1.711 9.370 -4.604) 10.579 7.915 ( -3.045 1.795 3.811) 5.198 8.054 ( 0.884 2.895 0.721) 3.112 8.153 ( 3.568 4.115 -1.437) 5.633 8.201 ( -2.900 -0.597 2.858) 4.116 8.286 ( 0.827 -2.588 -0.678) 2.800 8.585 ( 1.801 -6.000 -0.508) 6.285 8.598 ( -0.595 -5.448 1.642) 5.721 8.709 ( -0.392 -2.315 0.389) 2.379 8.926 ( 0.148 3.173 -0.145) 3.180 9.045 ( -2.945 13.001 -0.431) 13.337 9.201 ( -0.765 1.756 -0.409) 1.959 9.283 ( 0.717 -4.309 0.768) 4.436 9.702 ( 0.458 -0.636 3.349) 3.439 9.888 ( -0.623 -0.242 -6.738) 6.771 11.330 ( 3.009 -5.659 -0.482) 6.427 11.445 ( -3.374 -6.604 3.733) 8.303 ======================= Grid point 10 (7/91) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 0.000 21.421 0.000) 21.421 0.937 ( 0.000 20.629 0.000) 20.629 1.234 ( 0.000 4.308 0.000) 4.308 1.428 ( 0.000 10.720 0.000) 10.720 1.448 ( 0.000 18.175 0.000) 18.175 1.571 ( 0.000 2.808 0.000) 2.808 1.671 ( 0.000 10.518 0.000) 10.518 1.785 ( 0.000 17.544 0.000) 17.544 1.807 ( 0.000 5.332 0.000) 5.332 1.868 ( 0.000 8.927 0.000) 8.927 2.012 ( 0.000 10.952 0.000) 10.952 2.094 ( 0.000 0.623 0.000) 0.623 2.276 ( 0.000 0.730 0.000) 0.730 2.417 ( 0.000 2.514 0.000) 2.514 2.490 ( 0.000 11.751 0.000) 11.751 2.513 ( 0.000 12.674 0.000) 12.674 2.731 ( 0.000 14.049 0.000) 14.049 3.002 ( 0.000 11.782 0.000) 11.782 3.222 ( 0.000 4.902 0.000) 4.902 3.326 ( 0.000 -6.157 0.000) 6.157 3.443 ( 0.000 13.956 0.000) 13.956 3.522 ( 0.000 20.780 0.000) 20.780 3.990 ( 0.000 4.990 0.000) 4.990 4.456 ( 0.000 -4.788 0.000) 4.788 5.452 ( 0.000 5.514 0.000) 5.514 5.475 ( 0.000 -11.389 0.000) 11.389 5.614 ( 0.000 11.308 0.000) 11.308 5.692 ( 0.000 -10.955 0.000) 10.955 5.873 ( 0.000 12.444 0.000) 12.444 5.890 ( 0.000 9.308 0.000) 9.308 6.027 ( 0.000 1.096 0.000) 1.096 6.306 ( 0.000 3.170 0.000) 3.170 6.312 ( 0.000 6.280 0.000) 6.280 6.457 ( 0.000 5.068 0.000) 5.068 6.656 ( 0.000 -0.329 0.000) 0.329 6.687 ( 0.000 6.794 0.000) 6.794 6.722 ( 0.000 0.681 0.000) 0.681 6.823 ( 0.000 -0.639 0.000) 0.639 7.048 ( 0.000 6.722 0.000) 6.722 7.275 ( 0.000 13.716 0.000) 13.716 7.280 ( 0.000 -1.496 0.000) 1.496 7.351 ( 0.000 7.400 0.000) 7.400 7.867 ( 0.000 -2.754 0.000) 2.754 7.892 ( 0.000 -4.821 0.000) 4.821 7.926 ( 0.000 0.749 0.000) 0.749 8.081 ( 0.000 -3.777 0.000) 3.777 8.178 ( 0.000 1.393 0.000) 1.393 8.231 ( 0.000 2.042 0.000) 2.042 8.344 ( 0.000 8.755 0.000) 8.755 8.353 ( 0.000 -8.137 0.000) 8.137 8.449 ( 0.000 -3.147 0.000) 3.147 8.676 ( 0.000 -2.147 0.000) 2.147 8.913 ( 0.000 -5.588 0.000) 5.588 9.121 ( 0.000 -5.586 0.000) 5.586 9.201 ( 0.000 3.446 0.000) 3.446 9.482 ( 0.000 -4.093 0.000) 4.093 9.835 ( 0.000 6.383 0.000) 6.383 9.851 ( 0.000 1.003 0.000) 1.003 11.150 ( 0.000 -5.947 0.000) 5.947 11.276 ( 0.000 -6.763 0.000) 6.763 ======================= Grid point 11 (8/91) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 11.609 16.006 -0.397) 19.777 0.963 ( 2.549 18.481 0.769) 18.672 1.264 ( 4.445 4.212 -2.268) 6.531 1.371 ( -1.995 11.438 0.145) 11.611 1.512 ( -2.561 9.059 5.794) 11.054 1.574 ( 0.885 6.408 -0.084) 6.469 1.664 ( -1.802 10.838 2.563) 11.282 1.752 ( -4.375 4.519 -1.424) 6.448 1.781 ( -0.250 16.775 0.691) 16.791 1.860 ( -0.689 8.495 -4.325) 9.558 2.016 ( -0.560 7.711 1.077) 7.806 2.050 ( -0.441 3.437 -0.849) 3.568 2.315 ( 0.538 0.516 2.555) 2.662 2.371 ( 0.362 10.432 -7.333) 12.756 2.469 ( 2.085 6.982 -0.437) 7.300 2.597 ( 2.040 14.797 4.659) 15.646 2.721 ( -1.302 14.462 -0.246) 14.523 2.999 ( -0.799 12.360 0.797) 12.411 3.225 ( 0.495 4.597 -0.190) 4.627 3.313 ( -1.710 -4.718 0.781) 5.079 3.439 ( -0.454 13.802 0.013) 13.809 3.488 ( -1.501 20.073 -3.084) 20.364 4.021 ( 1.778 5.017 1.621) 5.564 4.465 ( 0.853 -5.688 0.403) 5.766 5.424 ( -2.605 6.573 -0.642) 7.100 5.465 ( -1.221 -0.378 -1.851) 2.249 5.555 ( -2.013 -4.704 -2.880) 5.872 5.678 ( -3.450 10.319 -2.392) 11.140 5.773 ( -1.699 1.336 2.905) 3.620 5.992 ( 4.695 5.940 -1.477) 7.714 6.047 ( 0.394 7.352 4.663) 8.715 6.289 ( -1.213 6.177 0.305) 6.302 6.398 ( 6.463 2.663 0.125) 6.991 6.470 ( 0.945 3.897 0.373) 4.027 6.592 ( -3.342 1.302 -2.363) 4.295 6.693 ( 1.307 3.135 0.288) 3.409 6.760 ( 2.206 1.392 1.248) 2.891 6.876 ( 2.190 1.712 2.929) 4.038 7.024 ( -2.067 5.609 -0.981) 6.057 7.103 ( -10.214 5.542 -0.500) 11.632 7.320 ( -0.369 5.330 -4.130) 6.753 7.364 ( 0.039 5.171 1.930) 5.520 7.819 ( -2.361 -1.917 -0.856) 3.160 7.876 ( 0.964 -3.760 -1.392) 4.124 8.006 ( 4.228 -1.094 0.156) 4.370 8.085 ( 0.462 -3.578 -0.068) 3.609 8.147 ( -4.223 4.623 -2.584) 6.774 8.197 ( 0.487 0.098 1.575) 1.652 8.353 ( 2.458 4.152 -2.511) 5.439 8.404 ( 2.260 -2.785 2.039) 4.126 8.482 ( 0.689 -3.284 3.661) 4.966 8.665 ( -1.006 -2.602 -0.005) 2.789 8.905 ( -0.352 -5.554 -0.782) 5.620 9.128 ( 0.215 -5.249 0.883) 5.327 9.212 ( 0.960 3.040 0.396) 3.213 9.414 ( -5.609 0.167 -1.557) 5.823 9.754 ( -3.959 6.602 1.958) 7.944 9.911 ( 3.662 0.684 -4.719) 6.012 11.162 ( 1.298 -6.472 0.018) 6.601 11.288 ( -0.645 -7.713 2.810) 8.234 ======================= Grid point 12 (9/91) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 8.733 8.950 0.809) 12.532 1.026 ( 3.484 14.280 0.738) 14.717 1.327 ( 1.813 1.334 -0.333) 2.275 1.345 ( -2.129 9.457 -0.655) 9.716 1.482 ( -0.480 7.193 3.397) 7.969 1.571 ( -1.740 6.304 -2.424) 6.975 1.639 ( -2.574 8.808 -3.045) 9.669 1.678 ( -2.815 7.112 7.101) 10.437 1.768 ( -1.132 9.087 -3.636) 9.853 1.810 ( 0.477 16.856 -0.844) 16.884 1.997 ( -1.033 0.496 -0.338) 1.195 2.071 ( 1.042 3.034 -0.556) 3.256 2.334 ( -0.252 4.207 2.867) 5.098 2.354 ( 1.772 12.549 -2.764) 12.972 2.531 ( 3.795 7.606 1.238) 8.590 2.650 ( 0.311 15.674 1.672) 15.766 2.668 ( -2.747 19.831 -2.487) 20.175 2.991 ( -0.848 11.738 1.003) 11.812 3.236 ( 1.052 4.911 -0.780) 5.083 3.287 ( -1.738 -2.419 1.013) 3.147 3.431 ( -0.875 14.805 1.271) 14.886 3.441 ( -0.114 17.525 -2.937) 17.769 4.056 ( 0.782 5.677 0.491) 5.752 4.486 ( 0.617 -7.588 0.412) 7.624 5.358 ( -2.854 25.907 -0.245) 26.065 5.414 ( -0.431 -5.169 -2.716) 5.855 5.537 ( 0.027 -13.113 0.312) 13.116 5.613 ( -1.427 11.852 -0.633) 11.954 5.785 ( 0.037 0.187 0.726) 0.750 6.031 ( 1.422 2.783 -0.459) 3.159 6.118 ( 1.786 12.313 2.507) 12.692 6.272 ( -0.615 6.938 -0.068) 6.965 6.463 ( -0.673 1.870 0.067) 1.989 6.483 ( 2.113 2.268 -1.222) 3.332 6.564 ( 0.454 7.555 0.676) 7.599 6.743 ( 4.172 -0.782 0.228) 4.251 6.797 ( -0.586 2.033 1.946) 2.875 6.902 ( -2.454 4.735 -0.584) 5.365 6.938 ( -3.456 6.517 -0.564) 7.398 6.991 ( -1.347 1.426 0.019) 1.961 7.270 ( -1.050 0.599 -1.765) 2.139 7.360 ( -0.876 3.376 0.462) 3.518 7.795 ( -0.049 -0.846 -0.558) 1.015 7.881 ( 0.506 -4.352 -0.792) 4.453 8.019 ( -1.172 1.793 -1.050) 2.386 8.103 ( -0.051 -2.982 -0.065) 2.983 8.109 ( 1.482 3.196 0.735) 3.599 8.222 ( 0.451 -2.624 1.220) 2.929 8.358 ( 0.492 8.901 -1.702) 9.076 8.466 ( 3.227 -3.568 -0.426) 4.829 8.506 ( -1.573 -3.408 2.790) 4.677 8.649 ( -0.577 -3.430 0.060) 3.479 8.892 ( -0.257 -5.442 -0.525) 5.474 9.140 ( 0.243 -5.003 0.632) 5.049 9.239 ( 1.390 2.700 0.487) 3.076 9.308 ( -3.692 4.466 -1.099) 5.897 9.730 ( -0.832 4.838 1.132) 5.038 9.908 ( 0.601 2.299 -2.621) 3.538 11.188 ( 1.225 -7.725 -0.075) 7.822 11.292 ( -1.000 -7.865 1.516) 8.072 ======================= Grid point 15 (10/91) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 17.752 0.000) 17.752 1.297 ( 0.000 14.389 0.000) 14.389 1.336 ( 0.000 5.302 0.000) 5.302 1.564 ( 0.000 1.818 0.000) 1.818 1.691 ( 0.000 12.980 0.000) 12.980 1.751 ( 0.000 8.830 0.000) 8.830 1.884 ( 0.000 9.218 0.000) 9.218 1.921 ( 0.000 6.368 0.000) 6.368 2.021 ( 0.000 6.768 0.000) 6.768 2.071 ( 0.000 9.771 0.000) 9.771 2.119 ( 0.000 0.190 0.000) 0.190 2.149 ( 0.000 4.697 0.000) 4.697 2.368 ( 0.000 5.992 0.000) 5.992 2.476 ( 0.000 4.275 0.000) 4.275 2.687 ( 0.000 4.488 0.000) 4.488 2.846 ( 0.000 22.362 0.000) 22.362 2.993 ( 0.000 9.960 0.000) 9.960 3.159 ( 0.000 -4.258 0.000) 4.258 3.281 ( 0.000 4.711 0.000) 4.711 3.319 ( 0.000 11.655 0.000) 11.655 3.804 ( 0.000 17.066 0.000) 17.066 3.935 ( 0.000 18.625 0.000) 18.625 4.142 ( 0.000 9.782 0.000) 9.782 4.368 ( 0.000 -3.373 0.000) 3.373 5.181 ( 0.000 -13.058 0.000) 13.058 5.405 ( 0.000 -3.124 0.000) 3.124 5.545 ( 0.000 -5.532 0.000) 5.532 5.935 ( 0.000 9.259 0.000) 9.259 6.026 ( 0.000 -0.727 0.000) 0.727 6.084 ( 0.000 9.175 0.000) 9.175 6.096 ( 0.000 13.049 0.000) 13.049 6.414 ( 0.000 6.281 0.000) 6.281 6.435 ( 0.000 4.535 0.000) 4.535 6.518 ( 0.000 -0.594 0.000) 0.594 6.667 ( 0.000 2.859 0.000) 2.859 6.765 ( 0.000 -0.839 0.000) 0.839 6.823 ( 0.000 7.313 0.000) 7.313 6.841 ( 0.000 5.653 0.000) 5.653 7.234 ( 0.000 9.781 0.000) 9.781 7.309 ( 0.000 5.992 0.000) 5.992 7.497 ( 0.000 6.437 0.000) 6.437 7.531 ( 0.000 10.156 0.000) 10.156 7.742 ( 0.000 -10.011 0.000) 10.011 7.751 ( 0.000 -6.261 0.000) 6.261 7.963 ( 0.000 2.161 0.000) 2.161 7.996 ( 0.000 -3.741 0.000) 3.741 8.108 ( 0.000 -7.945 0.000) 7.945 8.172 ( 0.000 -1.557 0.000) 1.557 8.363 ( 0.000 3.626 0.000) 3.626 8.407 ( 0.000 -0.689 0.000) 0.689 8.555 ( 0.000 10.601 0.000) 10.601 8.631 ( 0.000 -2.146 0.000) 2.146 8.770 ( 0.000 -6.936 0.000) 6.936 9.037 ( 0.000 -2.291 0.000) 2.291 9.231 ( 0.000 -0.765 0.000) 0.765 9.388 ( 0.000 -5.143 0.000) 5.143 9.917 ( 0.000 4.684 0.000) 4.684 9.958 ( 0.000 5.301 0.000) 5.301 11.026 ( 0.000 -5.919 0.000) 5.919 11.140 ( 0.000 -6.309 0.000) 6.309 ======================= Grid point 16 (11/91) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 4.382 15.485 0.392) 16.098 1.286 ( -0.899 11.755 1.324) 11.864 1.358 ( 2.225 5.860 -1.853) 6.536 1.538 ( -0.657 4.630 -3.101) 5.612 1.681 ( -2.709 10.860 2.655) 11.504 1.729 ( -4.235 6.778 4.465) 9.154 1.876 ( -0.362 7.296 -2.268) 7.649 1.909 ( -2.365 10.183 -0.349) 10.460 1.981 ( -1.512 3.985 1.462) 4.506 2.036 ( -0.895 9.358 -4.933) 10.616 2.121 ( 0.355 5.292 -1.268) 5.454 2.174 ( 3.407 6.529 -1.978) 7.626 2.352 ( 0.032 4.529 -2.128) 5.004 2.546 ( 2.990 4.029 4.972) 7.064 2.659 ( -0.987 8.098 -0.347) 8.166 2.889 ( 0.313 13.854 1.817) 13.977 2.991 ( 3.557 10.269 -2.827) 11.229 3.194 ( 1.045 0.844 3.019) 3.304 3.233 ( -2.702 5.761 -1.121) 6.461 3.363 ( 1.201 11.008 3.267) 11.545 3.797 ( -0.536 16.834 -0.036) 16.842 3.891 ( -1.977 18.101 -3.648) 18.571 4.176 ( 1.879 9.937 1.851) 10.281 4.369 ( 0.253 -3.216 -0.577) 3.277 5.175 ( -0.031 -13.232 -1.094) 13.278 5.370 ( -1.392 -4.656 -2.753) 5.585 5.568 ( 0.032 -3.139 2.969) 4.321 5.891 ( -2.556 6.659 -0.106) 7.134 5.993 ( -2.527 10.969 -0.343) 11.261 6.101 ( 1.245 8.920 0.447) 9.018 6.188 ( 6.853 3.902 -1.463) 8.021 6.418 ( -0.841 6.561 1.809) 6.857 6.467 ( 3.377 3.118 0.496) 4.623 6.525 ( 0.635 -0.865 1.713) 2.021 6.646 ( -0.651 6.056 -1.210) 6.210 6.752 ( -0.584 0.383 0.502) 0.860 6.853 ( 1.419 8.737 1.901) 9.053 6.871 ( 1.045 0.393 2.164) 2.435 7.207 ( -4.297 7.277 -0.573) 8.471 7.232 ( -4.893 12.614 -1.882) 13.660 7.450 ( -0.930 5.562 -2.419) 6.136 7.512 ( -4.663 8.472 0.152) 9.672 7.715 ( -1.187 -9.231 -1.034) 9.364 7.740 ( -0.397 -8.001 -0.568) 8.031 7.979 ( 0.683 -1.019 0.593) 1.363 8.015 ( 2.466 -2.592 -1.038) 3.725 8.133 ( 1.215 -4.097 1.575) 4.554 8.189 ( 1.616 -0.038 -1.967) 2.546 8.356 ( 2.615 0.798 -1.848) 3.300 8.440 ( -0.429 -0.073 4.515) 4.536 8.566 ( 1.012 9.435 -0.739) 9.518 8.614 ( -1.624 -1.594 0.513) 2.333 8.770 ( 0.104 -6.282 -0.101) 6.284 9.040 ( 0.170 -2.531 0.342) 2.560 9.237 ( 0.482 -0.914 0.496) 1.146 9.360 ( -2.025 -4.346 -1.355) 4.982 9.900 ( -1.494 6.965 0.515) 7.142 9.966 ( 1.231 3.720 -1.503) 4.197 11.029 ( 0.419 -6.222 -0.046) 6.237 11.142 ( -0.265 -6.495 0.814) 6.551 ======================= Grid point 17 (12/91) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 4.560 10.844 0.040) 11.764 1.304 ( 1.287 10.704 2.418) 11.049 1.361 ( -0.013 3.662 -2.134) 4.239 1.477 ( -3.710 5.775 -1.733) 7.079 1.632 ( -1.774 6.936 0.576) 7.182 1.750 ( 1.001 11.010 4.595) 11.972 1.837 ( -2.548 8.471 0.218) 8.848 1.844 ( -2.566 7.654 -1.140) 8.153 1.959 ( 0.172 4.122 -4.899) 6.404 2.019 ( 0.845 10.332 0.722) 10.392 2.109 ( -0.088 9.746 -1.200) 9.820 2.216 ( 1.931 9.730 -0.433) 9.930 2.331 ( -0.648 1.440 -0.757) 1.751 2.592 ( 0.085 4.845 -0.045) 4.846 2.703 ( 2.108 8.401 4.387) 9.709 2.856 ( -1.482 3.562 -2.821) 4.779 3.079 ( 4.974 13.409 1.376) 14.367 3.167 ( -2.951 9.388 -1.979) 10.038 3.229 ( -0.133 2.901 1.911) 3.477 3.403 ( 0.419 11.846 1.801) 11.990 3.794 ( 0.006 16.811 0.976) 16.839 3.828 ( -1.218 17.411 -2.936) 17.699 4.219 ( 1.048 10.028 0.964) 10.129 4.365 ( 0.033 -3.183 -0.544) 3.230 5.166 ( 0.025 -13.499 -0.673) 13.516 5.331 ( -0.619 -5.621 -1.166) 5.774 5.582 ( -0.409 -0.575 1.148) 1.347 5.871 ( 0.164 9.710 -0.196) 9.713 5.946 ( -2.064 10.262 0.073) 10.467 6.126 ( 0.760 6.327 0.560) 6.397 6.241 ( 1.231 0.432 -1.920) 2.321 6.418 ( -0.365 7.555 0.477) 7.579 6.510 ( 0.799 -0.377 0.398) 0.969 6.598 ( 3.330 5.938 1.272) 6.925 6.676 ( 2.999 3.074 2.114) 4.786 6.754 ( 1.692 4.058 0.207) 4.402 6.867 ( -3.927 7.229 0.381) 8.235 6.893 ( 0.485 -1.143 0.815) 1.486 7.081 ( -4.390 7.958 1.011) 9.145 7.179 ( -0.571 14.087 -3.065) 14.428 7.387 ( -2.971 9.129 -2.106) 9.829 7.454 ( -1.097 5.523 0.901) 5.703 7.691 ( -0.520 -9.903 -0.631) 9.937 7.734 ( 0.061 -9.149 -0.294) 9.154 7.983 ( -0.169 -1.666 -0.063) 1.676 8.046 ( 1.267 -3.575 -0.707) 3.858 8.151 ( -0.356 -0.437 0.658) 0.867 8.209 ( 1.848 2.509 -0.235) 3.125 8.396 ( 1.348 -4.726 -0.629) 4.955 8.479 ( 1.998 2.090 2.219) 3.645 8.542 ( -2.530 2.067 -0.910) 3.392 8.611 ( 0.255 4.772 0.535) 4.809 8.771 ( 0.040 -5.106 -0.058) 5.106 9.046 ( 0.114 -3.000 0.223) 3.011 9.256 ( 0.849 -1.112 0.820) 1.622 9.309 ( -1.765 -3.174 -1.348) 3.874 9.885 ( -0.536 8.454 0.216) 8.473 9.970 ( 0.390 3.223 -0.794) 3.343 11.037 ( 0.320 -6.846 -0.031) 6.854 11.143 ( -0.254 -6.556 0.473) 6.578 ======================= Grid point 20 (13/91) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 10.457 0.000) 10.457 1.418 ( 0.000 2.274 0.000) 2.274 1.522 ( 0.000 8.461 0.000) 8.461 1.621 ( 0.000 4.310 0.000) 4.310 1.834 ( 0.000 1.954 0.000) 1.954 1.868 ( 0.000 3.434 0.000) 3.434 1.971 ( 0.000 -1.790 0.000) 1.790 2.108 ( 0.000 3.080 0.000) 3.080 2.121 ( 0.000 4.256 0.000) 4.256 2.162 ( 0.000 8.828 0.000) 8.828 2.243 ( 0.000 12.027 0.000) 12.027 2.301 ( 0.000 7.570 0.000) 7.570 2.465 ( 0.000 4.018 0.000) 4.018 2.558 ( 0.000 3.432 0.000) 3.432 2.748 ( 0.000 2.594 0.000) 2.594 3.039 ( 0.000 -6.339 0.000) 6.339 3.123 ( 0.000 3.679 0.000) 3.679 3.280 ( 0.000 18.614 0.000) 18.614 3.428 ( 0.000 8.785 0.000) 8.785 3.514 ( 0.000 5.171 0.000) 5.171 4.069 ( 0.000 8.957 0.000) 8.957 4.261 ( 0.000 13.531 0.000) 13.531 4.332 ( 0.000 -0.092 0.000) 0.092 4.365 ( 0.000 11.540 0.000) 11.540 5.023 ( 0.000 -2.075 0.000) 2.075 5.362 ( 0.000 -1.403 0.000) 1.403 5.446 ( 0.000 -4.310 0.000) 4.310 5.987 ( 0.000 -1.262 0.000) 1.262 6.001 ( 0.000 -0.995 0.000) 0.995 6.273 ( 0.000 7.576 0.000) 7.576 6.356 ( 0.000 9.241 0.000) 9.241 6.476 ( 0.000 0.326 0.000) 0.326 6.481 ( 0.000 1.397 0.000) 1.397 6.541 ( 0.000 4.527 0.000) 4.527 6.675 ( 0.000 -6.356 0.000) 6.356 6.787 ( 0.000 7.846 0.000) 7.846 6.908 ( 0.000 4.339 0.000) 4.339 7.089 ( 0.000 13.315 0.000) 13.315 7.322 ( 0.000 -2.021 0.000) 2.021 7.460 ( 0.000 2.947 0.000) 2.947 7.528 ( 0.000 -6.566 0.000) 6.566 7.564 ( 0.000 -3.600 0.000) 3.600 7.645 ( 0.000 9.598 0.000) 9.598 7.803 ( 0.000 7.945 0.000) 7.945 7.954 ( 0.000 -5.219 0.000) 5.219 7.983 ( 0.000 0.498 0.000) 0.498 7.995 ( 0.000 0.682 0.000) 0.682 8.127 ( 0.000 -2.506 0.000) 2.506 8.402 ( 0.000 0.011 0.000) 0.011 8.423 ( 0.000 1.583 0.000) 1.583 8.613 ( 0.000 1.512 0.000) 1.512 8.673 ( 0.000 -0.944 0.000) 0.944 8.769 ( 0.000 9.140 0.000) 9.140 9.027 ( 0.000 0.908 0.000) 0.908 9.192 ( 0.000 -2.487 0.000) 2.487 9.275 ( 0.000 -5.828 0.000) 5.828 9.997 ( 0.000 2.358 0.000) 2.358 10.032 ( 0.000 1.775 0.000) 1.775 10.924 ( 0.000 -3.875 0.000) 3.875 11.029 ( 0.000 -4.511 0.000) 4.511 ======================= Grid point 21 (14/91) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.435 9.073 1.251) 9.169 1.411 ( -0.435 3.092 -0.405) 3.148 1.512 ( -0.621 7.736 0.340) 7.768 1.633 ( 0.432 4.988 -0.222) 5.012 1.800 ( -4.334 3.666 2.507) 6.206 1.869 ( 0.482 2.025 -1.379) 2.497 1.955 ( 0.523 0.441 -3.822) 3.882 2.043 ( -2.738 4.740 0.632) 5.510 2.117 ( -1.280 9.893 -1.721) 10.123 2.218 ( 3.064 1.977 0.829) 3.739 2.276 ( 1.248 8.156 -1.055) 8.318 2.287 ( 2.086 11.336 -0.861) 11.558 2.475 ( 0.800 6.828 -2.430) 7.292 2.596 ( 0.529 0.481 8.059) 8.091 2.735 ( -1.111 2.479 -0.410) 2.748 2.940 ( -1.206 -4.155 -10.683) 11.526 3.222 ( 1.803 4.026 8.353) 9.446 3.272 ( -2.318 11.567 3.508) 12.308 3.431 ( 2.819 10.756 -3.039) 11.527 3.549 ( 1.307 5.668 1.930) 6.129 4.060 ( -0.335 9.214 -0.248) 9.224 4.215 ( -1.793 14.312 -4.243) 15.035 4.344 ( 0.859 0.212 0.546) 1.039 4.398 ( 1.551 11.254 2.071) 11.548 5.012 ( -0.324 -2.232 -1.416) 2.663 5.303 ( -1.986 -2.002 -3.576) 4.554 5.502 ( 0.957 -3.295 4.726) 5.841 5.931 ( -0.758 -0.915 -0.345) 1.237 6.077 ( 2.988 0.415 -0.378) 3.040 6.270 ( 0.077 3.449 -1.951) 3.964 6.312 ( -3.897 6.638 -0.719) 7.731 6.485 ( 0.320 0.575 0.034) 0.659 6.505 ( 1.312 1.432 4.271) 4.692 6.549 ( 0.750 5.126 0.222) 5.185 6.703 ( 3.306 -3.311 -0.463) 4.702 6.811 ( 2.394 8.910 0.526) 9.241 6.890 ( -0.782 2.447 -1.493) 2.971 7.104 ( 0.383 12.443 1.946) 12.600 7.322 ( -2.629 0.821 3.142) 4.178 7.446 ( -1.701 -0.814 0.056) 1.887 7.502 ( -1.385 1.381 -1.845) 2.688 7.569 ( -0.728 -0.018 -0.282) 0.781 7.580 ( -1.691 1.944 -3.590) 4.419 7.713 ( -6.288 6.229 -0.087) 8.852 7.952 ( -0.287 -1.442 -0.811) 1.679 7.992 ( 1.146 0.127 1.066) 1.570 8.084 ( 3.559 -0.344 1.275) 3.796 8.157 ( 3.994 -3.147 -0.063) 5.085 8.362 ( -0.920 0.603 -3.410) 3.583 8.450 ( 0.180 -0.220 2.354) 2.371 8.600 ( -1.491 2.384 0.590) 2.873 8.679 ( 0.603 -0.720 0.017) 0.940 8.783 ( 1.075 8.965 0.770) 9.062 9.028 ( 0.080 0.956 0.076) 0.963 9.194 ( 0.151 -2.847 0.178) 2.856 9.259 ( -1.092 -5.427 -1.114) 5.647 10.001 ( 0.821 2.349 -0.736) 2.595 10.029 ( -0.569 2.017 0.394) 2.133 10.923 ( -0.008 -3.977 -0.014) 3.977 11.030 ( -0.049 -4.505 0.236) 4.511 ======================= Grid point 22 (15/91) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.387 6.128 1.230) 6.262 1.400 ( -0.181 3.415 -0.730) 3.497 1.524 ( 1.438 8.675 0.664) 8.819 1.602 ( -2.647 6.075 -1.089) 6.715 1.770 ( -1.090 5.882 2.224) 6.382 1.855 ( -0.871 -1.077 -0.278) 1.413 1.944 ( 1.570 4.698 -2.587) 5.588 2.023 ( -0.520 5.537 0.301) 5.569 2.070 ( -1.363 10.970 -1.598) 11.169 2.260 ( 0.685 3.895 1.080) 4.100 2.269 ( 0.445 5.350 -1.110) 5.482 2.347 ( 2.590 9.602 0.352) 9.951 2.448 ( -1.024 9.881 -1.545) 10.053 2.689 ( 0.692 3.667 3.975) 5.452 2.725 ( 0.111 -2.805 5.286) 5.985 2.826 ( -1.169 -4.280 -9.840) 10.794 3.248 ( -0.754 8.247 0.548) 8.299 3.319 ( 0.843 5.426 3.842) 6.701 3.467 ( 1.391 11.790 0.968) 11.911 3.565 ( 0.203 2.996 -1.065) 3.186 4.071 ( 0.723 10.509 1.776) 10.683 4.144 ( -1.449 14.734 -3.854) 15.299 4.360 ( 0.455 1.315 0.103) 1.395 4.438 ( 0.802 10.751 1.176) 10.845 4.995 ( -0.164 -2.558 -0.900) 2.717 5.255 ( -0.805 -1.860 -1.218) 2.365 5.537 ( -0.167 -3.208 1.703) 3.635 5.961 ( 3.344 -0.911 0.496) 3.501 6.069 ( -2.984 4.595 -1.002) 5.569 6.234 ( -1.066 -0.084 -0.182) 1.085 6.256 ( -1.213 2.765 -1.450) 3.350 6.489 ( 0.097 0.173 -0.019) 0.199 6.552 ( -0.309 5.162 0.672) 5.215 6.602 ( 3.663 0.015 4.001) 5.424 6.724 ( -0.790 -0.586 -3.133) 3.284 6.868 ( -0.157 1.991 0.892) 2.187 6.924 ( 9.180 9.398 0.477) 13.146 7.091 ( -5.727 10.133 0.238) 11.642 7.262 ( -3.603 6.796 1.569) 7.851 7.431 ( -0.282 -5.711 1.841) 6.007 7.474 ( 0.237 13.435 -2.437) 13.657 7.526 ( -0.095 -7.948 -1.939) 8.182 7.580 ( 0.095 4.056 0.747) 4.126 7.617 ( -3.462 6.126 -0.738) 7.075 7.939 ( -0.201 -2.174 -0.568) 2.256 8.011 ( 0.357 0.520 0.061) 0.634 8.123 ( 0.474 -2.105 0.823) 2.309 8.243 ( 4.157 -2.354 0.811) 4.846 8.313 ( -2.057 -0.296 -1.991) 2.878 8.463 ( 0.022 -2.390 0.301) 2.409 8.582 ( -0.883 4.130 0.565) 4.261 8.690 ( 0.379 -0.117 0.107) 0.411 8.810 ( 0.789 8.850 0.567) 8.903 9.029 ( -0.010 0.977 -0.001) 0.977 9.201 ( 0.344 -4.155 0.460) 4.194 9.227 ( -0.929 -4.135 -1.043) 4.364 10.011 ( 1.075 1.896 -1.107) 2.445 10.021 ( -0.920 2.848 0.900) 3.125 10.923 ( -0.005 -4.153 -0.011) 4.153 11.031 ( -0.036 -4.469 0.142) 4.472 ======================= Grid point 25 (16/91) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 0.651 0.000) 0.651 1.467 ( 0.000 1.737 0.000) 1.737 1.677 ( 0.000 7.041 0.000) 7.041 1.716 ( 0.000 4.192 0.000) 4.192 1.840 ( 0.000 -0.900 0.000) 0.900 1.908 ( 0.000 -0.727 0.000) 0.727 1.918 ( 0.000 -0.901 0.000) 0.901 2.075 ( 0.000 -3.817 0.000) 3.817 2.155 ( 0.000 2.309 0.000) 2.309 2.344 ( 0.000 -0.361 0.000) 0.361 2.430 ( 0.000 9.882 0.000) 9.882 2.492 ( 0.000 9.671 0.000) 9.671 2.542 ( 0.000 4.841 0.000) 4.841 2.659 ( 0.000 5.872 0.000) 5.872 2.776 ( 0.000 -0.251 0.000) 0.251 2.914 ( 0.000 -5.776 0.000) 5.776 3.187 ( 0.000 3.565 0.000) 3.565 3.521 ( 0.000 -3.308 0.000) 3.308 3.578 ( 0.000 10.614 0.000) 10.614 3.604 ( 0.000 7.977 0.000) 7.977 4.187 ( 0.000 3.375 0.000) 3.375 4.318 ( 0.000 -1.113 0.000) 1.113 4.517 ( 0.000 10.764 0.000) 10.764 4.587 ( 0.000 9.531 0.000) 9.531 5.088 ( 0.000 7.917 0.000) 7.917 5.331 ( 0.000 -1.890 0.000) 1.890 5.375 ( 0.000 -2.197 0.000) 2.197 5.919 ( 0.000 -5.580 0.000) 5.580 5.999 ( 0.000 0.968 0.000) 0.968 6.332 ( 0.000 0.599 0.000) 0.599 6.365 ( 0.000 -8.438 0.000) 8.438 6.478 ( 0.000 -0.477 0.000) 0.477 6.605 ( 0.000 0.713 0.000) 0.713 6.616 ( 0.000 5.285 0.000) 5.285 6.631 ( 0.000 8.461 0.000) 8.461 6.944 ( 0.000 6.503 0.000) 6.503 6.988 ( 0.000 3.404 0.000) 3.404 7.180 ( 0.000 -7.749 0.000) 7.749 7.310 ( 0.000 5.430 0.000) 5.430 7.441 ( 0.000 0.844 0.000) 0.844 7.469 ( 0.000 -4.777 0.000) 4.777 7.553 ( 0.000 3.125 0.000) 3.125 7.829 ( 0.000 0.288 0.000) 0.288 7.861 ( 0.000 4.844 0.000) 4.844 7.914 ( 0.000 1.665 0.000) 1.665 7.996 ( 0.000 0.344 0.000) 0.344 8.054 ( 0.000 3.833 0.000) 3.833 8.093 ( 0.000 -0.488 0.000) 0.488 8.410 ( 0.000 0.788 0.000) 0.788 8.426 ( 0.000 -0.483 0.000) 0.483 8.708 ( 0.000 7.117 0.000) 7.117 8.712 ( 0.000 4.392 0.000) 4.392 8.927 ( 0.000 5.753 0.000) 5.753 9.046 ( 0.000 -0.373 0.000) 0.373 9.145 ( 0.000 -1.804 0.000) 1.804 9.165 ( 0.000 -4.104 0.000) 4.104 10.004 ( 0.000 -1.362 0.000) 1.362 10.028 ( 0.000 -1.953 0.000) 1.953 10.874 ( 0.000 -1.013 0.000) 1.013 10.955 ( 0.000 -2.882 0.000) 2.882 ======================= Grid point 26 (17/91) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -0.152 1.264 0.624) 1.418 1.468 ( 0.101 1.429 -0.271) 1.458 1.667 ( -0.380 6.930 0.265) 6.946 1.727 ( -0.112 4.197 0.495) 4.227 1.844 ( 0.033 -0.099 1.116) 1.121 1.878 ( -2.213 0.946 -0.182) 2.413 1.939 ( 2.692 -1.328 -1.348) 3.290 2.089 ( 0.426 -0.832 0.824) 1.246 2.165 ( 1.908 -0.628 -1.811) 2.705 2.338 ( -0.571 1.600 -0.099) 1.702 2.388 ( -1.369 9.188 -3.166) 9.814 2.534 ( 1.140 6.726 4.148) 7.985 2.576 ( 1.783 5.582 2.598) 6.410 2.659 ( -0.321 6.171 0.627) 6.211 2.747 ( -1.117 -1.946 -3.548) 4.198 2.863 ( -1.542 -2.331 -4.748) 5.510 3.268 ( 2.717 2.088 8.698) 9.349 3.472 ( -3.503 5.280 -2.531) 6.823 3.541 ( -0.887 1.844 1.973) 2.843 3.661 ( 3.165 5.908 -3.597) 7.607 4.191 ( 0.474 4.234 1.073) 4.394 4.342 ( 1.141 -0.793 1.781) 2.258 4.483 ( -0.904 11.850 -3.809) 12.480 4.607 ( 0.798 8.568 1.346) 8.710 5.076 ( -0.483 7.894 -1.393) 8.031 5.285 ( -1.289 0.312 -2.375) 2.720 5.428 ( 0.844 -3.947 3.901) 5.614 5.884 ( -0.982 -4.114 -0.313) 4.241 6.067 ( 5.409 -0.824 -1.189) 5.599 6.285 ( -2.657 -2.294 -1.610) 3.862 6.308 ( -5.969 -3.463 -0.112) 6.902 6.494 ( -0.145 -1.396 5.431) 5.610 6.590 ( -0.515 4.738 0.002) 4.766 6.640 ( 1.355 3.250 -0.374) 3.541 6.696 ( 6.160 4.443 -3.100) 8.203 6.946 ( -2.643 3.424 -1.171) 4.481 6.982 ( 4.110 6.044 -0.760) 7.348 7.150 ( -1.963 -6.905 -0.630) 7.206 7.326 ( -0.406 1.179 2.443) 2.743 7.436 ( 0.098 2.561 -0.477) 2.607 7.491 ( 0.699 -1.166 0.556) 1.469 7.586 ( 2.032 2.695 2.881) 4.438 7.709 ( -7.156 2.814 -1.077) 7.764 7.819 ( -3.104 5.565 -1.269) 6.497 7.958 ( 1.957 1.041 -0.089) 2.218 8.016 ( -0.415 1.861 2.120) 2.851 8.082 ( -0.297 -1.657 -0.468) 1.747 8.107 ( 4.409 0.902 -0.152) 4.503 8.386 ( -0.677 1.403 -2.504) 2.949 8.431 ( -0.291 -1.055 0.417) 1.171 8.702 ( -0.955 6.559 1.025) 6.707 8.721 ( 0.889 4.957 -0.270) 5.044 8.941 ( 1.089 5.752 0.698) 5.896 9.049 ( 0.357 -0.342 -0.005) 0.494 9.139 ( -0.491 -2.007 -0.835) 2.228 9.155 ( -0.820 -4.010 0.008) 4.093 10.002 ( 0.172 -1.576 -0.561) 1.681 10.032 ( 0.133 -1.693 0.587) 1.797 10.873 ( -0.092 -0.991 0.033) 0.996 10.956 ( 0.056 -2.878 0.085) 2.879 ======================= Grid point 27 (18/91) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.008 1.922 0.832) 2.094 1.464 ( -0.068 1.437 -0.669) 1.586 1.678 ( 0.988 5.412 0.582) 5.532 1.711 ( -1.613 5.169 -0.023) 5.414 1.848 ( 0.060 1.393 -1.251) 1.873 1.861 ( -0.348 3.014 1.826) 3.541 1.973 ( 1.534 -1.454 -0.559) 2.186 2.096 ( 0.073 2.078 -0.064) 2.081 2.181 ( 0.962 -3.032 -0.814) 3.283 2.329 ( -0.411 4.349 0.726) 4.428 2.344 ( -0.672 7.187 -2.093) 7.516 2.593 ( 0.830 6.526 4.060) 7.731 2.625 ( 1.053 3.145 0.866) 3.428 2.658 ( -0.718 5.241 1.045) 5.392 2.693 ( -0.124 -3.719 -3.914) 5.400 2.804 ( -1.020 2.051 -2.264) 3.221 3.391 ( 2.191 1.924 5.965) 6.640 3.409 ( -1.301 6.743 -0.911) 6.927 3.540 ( -1.179 -1.463 0.961) 2.111 3.648 ( 0.769 4.164 -4.494) 6.174 4.222 ( 0.713 4.882 1.712) 5.222 4.369 ( 0.408 -0.262 0.585) 0.760 4.439 ( -0.332 13.248 -2.357) 13.460 4.627 ( 0.312 7.317 0.657) 7.354 5.055 ( -0.340 7.650 -0.931) 7.714 5.256 ( -0.450 2.118 -0.662) 2.264 5.452 ( -0.415 -5.114 1.252) 5.282 5.895 ( 1.223 -5.461 0.404) 5.611 6.136 ( 4.015 0.040 -2.287) 4.621 6.198 ( -5.316 -1.314 0.763) 5.529 6.238 ( -1.294 -1.820 -0.554) 2.301 6.562 ( -0.343 2.832 6.800) 7.374 6.595 ( 2.244 0.843 -0.179) 2.404 6.648 ( 0.619 2.973 -0.608) 3.097 6.704 ( -0.869 0.556 -6.226) 6.311 6.922 ( 0.327 3.699 0.469) 3.742 7.046 ( 1.598 -4.145 -0.352) 4.456 7.152 ( 3.916 2.651 -0.046) 4.729 7.330 ( -1.740 -0.408 3.044) 3.530 7.377 ( -5.008 2.313 -2.303) 5.978 7.503 ( 0.347 2.945 0.633) 3.032 7.651 ( 1.969 2.666 0.908) 3.436 7.653 ( 0.711 2.975 1.688) 3.494 7.745 ( -3.205 7.718 -1.450) 8.482 7.961 ( -0.361 3.390 -0.932) 3.534 8.039 ( 0.859 0.424 1.603) 1.867 8.066 ( -0.714 -1.776 -0.752) 2.056 8.170 ( 1.808 -2.308 0.370) 2.955 8.352 ( -0.612 2.181 -1.462) 2.696 8.423 ( -0.350 -1.420 -0.171) 1.473 8.695 ( -0.407 6.867 0.407) 6.891 8.735 ( 0.492 4.551 0.121) 4.579 8.969 ( 0.922 5.877 0.576) 5.976 9.056 ( 0.236 -0.226 -0.003) 0.327 9.116 ( -0.735 -2.581 -0.730) 2.781 9.145 ( -0.323 -3.884 0.077) 3.898 10.001 ( 0.098 -1.733 -0.268) 1.756 10.039 ( 0.092 -1.463 0.287) 1.494 10.872 ( -0.057 -0.951 0.020) 0.953 10.958 ( 0.033 -2.871 0.052) 2.871 ======================= Grid point 30 (19/91) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.000 0.719 0.000) 0.719 1.470 ( 0.000 -0.668 0.000) 0.668 1.774 ( 0.000 1.693 0.000) 1.693 1.792 ( 0.000 3.203 0.000) 3.203 1.812 ( 0.000 -0.549 0.000) 0.549 1.863 ( 0.000 -2.333 0.000) 2.333 1.938 ( 0.000 1.808 0.000) 1.808 1.995 ( 0.000 -3.673 0.000) 3.673 2.217 ( 0.000 3.727 0.000) 3.727 2.294 ( 0.000 -3.495 0.000) 3.495 2.571 ( 0.000 3.086 0.000) 3.086 2.572 ( 0.000 1.814 0.000) 1.814 2.693 ( 0.000 5.942 0.000) 5.942 2.738 ( 0.000 1.436 0.000) 1.436 2.765 ( 0.000 0.152 0.000) 0.152 2.812 ( 0.000 -4.135 0.000) 4.135 3.284 ( 0.000 5.923 0.000) 5.923 3.414 ( 0.000 -6.411 0.000) 6.411 3.724 ( 0.000 3.685 0.000) 3.685 3.726 ( 0.000 3.390 0.000) 3.390 4.233 ( 0.000 1.839 0.000) 1.839 4.278 ( 0.000 -2.450 0.000) 2.450 4.685 ( 0.000 5.253 0.000) 5.253 4.714 ( 0.000 2.538 0.000) 2.538 5.248 ( 0.000 3.474 0.000) 3.474 5.288 ( 0.000 -2.032 0.000) 2.032 5.443 ( 0.000 12.229 0.000) 12.229 5.736 ( 0.000 -12.925 0.000) 12.925 6.045 ( 0.000 3.783 0.000) 3.783 6.167 ( 0.000 -8.598 0.000) 8.598 6.366 ( 0.000 2.938 0.000) 2.938 6.436 ( 0.000 -3.341 0.000) 3.341 6.636 ( 0.000 1.468 0.000) 1.468 6.651 ( 0.000 0.169 0.000) 0.169 6.842 ( 0.000 9.581 0.000) 9.581 6.986 ( 0.000 -3.682 0.000) 3.682 7.045 ( 0.000 2.284 0.000) 2.284 7.081 ( 0.000 -1.655 0.000) 1.655 7.321 ( 0.000 -0.089 0.000) 0.089 7.361 ( 0.000 -4.360 0.000) 4.360 7.537 ( 0.000 4.322 0.000) 4.322 7.582 ( 0.000 -0.415 0.000) 0.415 7.827 ( 0.000 2.065 0.000) 2.065 7.884 ( 0.000 -2.952 0.000) 2.952 7.984 ( 0.000 3.960 0.000) 3.960 8.015 ( 0.000 0.465 0.000) 0.465 8.098 ( 0.000 0.544 0.000) 0.544 8.101 ( 0.000 0.711 0.000) 0.711 8.423 ( 0.000 0.171 0.000) 0.171 8.424 ( 0.000 0.316 0.000) 0.316 8.828 ( 0.000 6.584 0.000) 6.584 8.864 ( 0.000 7.339 0.000) 7.339 8.965 ( 0.000 -6.387 0.000) 6.387 8.970 ( 0.000 -2.060 0.000) 2.060 9.133 ( 0.000 0.607 0.000) 0.607 9.141 ( 0.000 0.184 0.000) 0.184 9.969 ( 0.000 -1.167 0.000) 1.167 9.979 ( 0.000 -2.032 0.000) 2.032 10.876 ( 0.000 0.985 0.000) 0.985 10.907 ( 0.000 -1.966 0.000) 1.966 ======================= Grid point 31 (20/91) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.245 0.534 0.322) 0.670 1.470 ( 0.147 -0.541 -0.268) 0.621 1.762 ( -0.012 2.873 -1.346) 3.173 1.807 ( -0.581 0.976 0.250) 1.163 1.824 ( 2.505 0.878 0.528) 2.706 1.874 ( 0.604 -1.533 0.805) 1.834 1.946 ( 0.644 2.210 0.481) 2.352 2.016 ( 1.336 -4.381 0.966) 4.681 2.213 ( -0.004 4.121 -0.742) 4.188 2.301 ( 0.353 -3.802 0.591) 3.863 2.536 ( -1.299 3.843 -2.995) 5.042 2.565 ( -0.553 0.209 -1.068) 1.221 2.699 ( -1.402 2.128 0.888) 2.699 2.736 ( -0.686 0.305 0.900) 1.172 2.753 ( 1.021 4.616 -0.312) 4.738 2.820 ( -0.049 -2.330 0.988) 2.531 3.331 ( 2.029 4.186 4.927) 6.776 3.427 ( 0.521 -4.878 1.614) 5.165 3.657 ( -2.733 5.655 -3.397) 7.140 3.722 ( -0.134 -0.285 -4.441) 4.452 4.256 ( 1.163 2.646 2.219) 3.644 4.308 ( 1.275 -2.385 2.405) 3.619 4.672 ( -0.059 6.112 -2.107) 6.465 4.716 ( 0.357 1.802 -0.561) 1.920 5.240 ( -0.592 4.695 -0.362) 4.746 5.310 ( 0.986 -2.001 1.445) 2.658 5.429 ( -1.338 11.014 -0.247) 11.098 5.717 ( -1.358 -12.898 -0.243) 12.971 6.074 ( 3.524 2.046 -1.855) 4.477 6.156 ( -0.055 -6.075 -1.955) 6.382 6.336 ( -3.221 3.725 1.805) 5.245 6.429 ( -1.342 -4.647 3.610) 6.036 6.649 ( 0.604 1.776 0.470) 1.934 6.668 ( 0.695 0.005 0.591) 0.912 6.842 ( 1.641 7.467 -5.316) 9.311 6.970 ( -0.587 -5.261 -3.994) 6.632 7.022 ( -1.467 4.026 -0.035) 4.285 7.090 ( 1.169 -1.693 1.692) 2.664 7.317 ( 0.321 1.836 -0.468) 1.922 7.399 ( 2.818 -5.316 0.520) 6.040 7.552 ( 0.048 4.780 1.862) 5.130 7.611 ( 1.144 -0.983 3.220) 3.556 7.779 ( -4.030 4.329 0.455) 5.932 7.856 ( -2.839 -2.538 0.807) 3.893 7.991 ( 1.208 2.591 -0.992) 3.026 8.024 ( 0.283 -0.479 -0.558) 0.788 8.101 ( 0.144 1.810 0.904) 2.028 8.122 ( 1.658 -0.066 -0.074) 1.661 8.408 ( -0.557 0.741 -1.361) 1.647 8.418 ( -0.473 -0.320 -0.580) 0.814 8.832 ( 0.322 6.685 0.235) 6.697 8.863 ( -0.037 7.357 -0.212) 7.360 8.966 ( 0.449 -5.634 -0.321) 5.661 8.978 ( 0.487 -3.446 0.365) 3.500 9.127 ( -0.640 0.811 0.020) 1.033 9.135 ( -0.517 0.409 -0.060) 0.662 9.969 ( -0.015 -0.942 -0.041) 0.943 9.983 ( 0.222 -2.255 0.320) 2.288 10.876 ( -0.020 1.031 0.046) 1.032 10.908 ( 0.050 -1.993 0.050) 1.995 ======================= Grid point 32 (21/91) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.064 0.157 0.514) 0.541 1.470 ( 0.182 -0.237 -0.465) 0.553 1.754 ( 0.110 3.427 -0.531) 3.469 1.798 ( -0.423 1.213 0.065) 1.287 1.874 ( 2.557 0.618 -0.860) 2.768 1.889 ( -0.560 -0.274 1.735) 1.844 1.962 ( 0.549 2.310 0.130) 2.378 2.044 ( 0.689 -5.004 0.565) 5.083 2.207 ( 0.011 4.795 -0.516) 4.823 2.311 ( 0.179 -4.191 0.418) 4.216 2.493 ( -0.815 4.032 -1.384) 4.340 2.539 ( -0.761 -2.313 -0.933) 2.607 2.678 ( -0.660 2.720 0.075) 2.800 2.737 ( -0.195 -0.603 0.574) 0.856 2.779 ( 0.777 5.270 0.625) 5.364 2.825 ( -0.065 0.023 0.268) 0.277 3.417 ( 1.772 1.243 4.550) 5.039 3.450 ( 0.147 -1.664 0.985) 1.939 3.587 ( -1.429 5.262 -2.597) 6.039 3.668 ( -0.550 -1.971 -3.705) 4.232 4.294 ( 0.622 2.754 1.489) 3.192 4.343 ( 0.479 -2.018 1.170) 2.381 4.655 ( 0.088 7.147 -1.263) 7.258 4.716 ( 0.147 1.031 -0.399) 1.115 5.222 ( -0.724 6.230 -0.383) 6.283 5.332 ( 0.294 -4.682 0.642) 4.735 5.401 ( -0.969 12.124 -0.275) 12.166 5.701 ( -0.322 -13.816 0.107) 13.820 6.110 ( 1.764 -0.062 -1.581) 2.370 6.142 ( 0.163 -2.875 -0.978) 3.041 6.312 ( -1.140 6.625 1.669) 6.926 6.465 ( 0.740 -7.721 3.396) 8.468 6.661 ( 0.347 2.145 0.431) 2.215 6.678 ( 0.106 0.330 0.448) 0.566 6.786 ( -1.085 5.825 -4.989) 7.746 6.908 ( -1.472 -6.330 -2.759) 7.060 7.020 ( 0.211 5.470 0.828) 5.537 7.137 ( 1.383 -5.474 1.201) 5.772 7.331 ( 1.475 4.643 -0.631) 4.912 7.442 ( 1.345 -5.701 -0.156) 5.860 7.542 ( -2.436 8.071 1.344) 8.537 7.657 ( 0.573 -2.660 2.110) 3.443 7.747 ( -0.030 4.845 0.647) 4.888 7.819 ( -1.429 -1.372 0.263) 1.999 8.002 ( 0.695 0.851 -0.508) 1.210 8.014 ( -0.533 0.371 -0.337) 0.732 8.111 ( 0.133 2.526 0.264) 2.544 8.144 ( 0.644 -0.984 0.052) 1.177 8.386 ( -0.453 1.161 -0.869) 1.519 8.403 ( -0.344 -0.712 -0.456) 0.913 8.843 ( 0.463 7.081 0.630) 7.124 8.857 ( -0.238 7.021 -0.603) 7.051 8.973 ( 0.433 -5.599 -0.085) 5.617 8.987 ( 0.196 -4.718 0.085) 4.722 9.117 ( -0.360 1.296 0.071) 1.347 9.125 ( -0.420 0.873 -0.066) 0.971 9.969 ( 0.013 -0.699 0.010) 0.699 9.989 ( 0.112 -2.502 0.162) 2.510 10.876 ( -0.011 1.103 0.029) 1.104 10.909 ( 0.031 -2.034 0.031) 2.035 ======================= Grid point 65 (22/91) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.176 ( -18.929 0.000 7.952) 20.532 0.425 ( 0.199 0.000 22.167) 22.168 0.664 ( 2.591 0.000 30.869) 30.977 0.946 ( 5.138 0.000 -13.181) 14.147 1.190 ( -0.292 0.000 -1.659) 1.685 1.219 ( 2.348 0.000 -0.451) 2.391 1.354 ( 3.586 0.000 0.930) 3.704 1.668 ( 2.512 0.000 -2.153) 3.308 1.695 ( -2.497 0.000 0.866) 2.643 1.743 ( -4.098 0.000 -12.015) 12.695 1.902 ( 5.046 0.000 0.009) 5.046 1.906 ( 2.782 0.000 3.533) 4.497 1.990 ( -3.287 0.000 5.525) 6.429 2.118 ( -0.182 0.000 1.462) 1.474 2.219 ( -2.180 0.000 -3.042) 3.743 2.421 ( -1.534 0.000 -1.190) 1.941 2.690 ( -3.226 0.000 11.127) 11.585 2.735 ( -0.519 0.000 -0.058) 0.522 2.822 ( 0.551 0.000 1.108) 1.238 2.891 ( -4.566 0.000 -12.853) 13.640 3.370 ( 4.798 0.000 -2.852) 5.581 3.547 ( -2.158 0.000 1.208) 2.473 3.951 ( 0.990 0.000 -0.247) 1.020 4.067 ( -0.550 0.000 0.741) 0.923 4.626 ( 1.687 0.000 3.737) 4.100 5.112 ( -0.277 0.000 0.287) 0.399 5.408 ( 0.706 0.000 -0.832) 1.091 5.734 ( -6.118 0.000 0.499) 6.138 5.790 ( 0.912 0.000 -0.533) 1.056 6.073 ( 13.208 0.000 -4.764) 14.041 6.184 ( -7.300 0.000 -0.397) 7.311 6.270 ( -3.720 0.000 -0.983) 3.847 6.305 ( -0.650 0.000 -1.114) 1.290 6.515 ( -0.317 0.000 0.008) 0.317 6.533 ( -5.791 0.000 1.157) 5.906 6.568 ( -0.815 0.000 2.232) 2.376 6.640 ( 1.765 0.000 -0.851) 1.959 6.685 ( -1.902 0.000 -1.618) 2.497 6.738 ( 0.372 0.000 0.333) 0.500 6.925 ( 2.783 0.000 -2.470) 3.721 7.365 ( 2.183 0.000 1.425) 2.607 7.524 ( 0.642 0.000 -1.217) 1.376 7.603 ( 7.043 0.000 2.995) 7.654 7.913 ( 0.334 0.000 -0.007) 0.334 7.965 ( -0.234 0.000 0.402) 0.465 7.974 ( -1.497 0.000 -0.337) 1.534 8.159 ( -4.694 0.000 -0.577) 4.729 8.168 ( 3.220 0.000 -0.521) 3.262 8.592 ( -5.934 0.000 0.005) 5.934 8.602 ( -1.214 0.000 -0.110) 1.219 8.655 ( 7.842 0.000 2.556) 8.248 8.753 ( 0.102 0.000 1.277) 1.281 8.841 ( 0.031 0.000 0.076) 0.082 8.854 ( -0.021 0.000 -0.033) 0.039 9.180 ( -1.113 0.000 -0.339) 1.164 9.302 ( 0.447 0.000 1.326) 1.400 9.663 ( 2.127 0.000 1.914) 2.861 9.877 ( -8.645 0.000 -3.072) 9.175 11.290 ( 0.412 0.000 -0.151) 0.439 11.839 ( 5.349 0.000 -0.495) 5.372 ======================= Grid point 66 (23/91) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 24.692 0.000 2.424) 24.811 0.668 ( 4.805 0.000 14.867) 15.624 0.831 ( 3.875 0.000 -2.470) 4.595 1.115 ( 12.880 0.000 4.684) 13.706 1.176 ( -0.079 0.000 -0.261) 0.273 1.241 ( 0.205 0.000 -0.487) 0.528 1.436 ( 2.393 0.000 6.848) 7.254 1.563 ( -2.844 0.000 -10.929) 11.292 1.665 ( -1.289 0.000 -2.596) 2.899 1.704 ( -0.007 0.000 0.472) 0.472 1.973 ( -0.207 0.000 3.498) 3.504 1.974 ( 1.699 0.000 2.939) 3.395 2.022 ( 2.361 0.000 -1.146) 2.625 2.117 ( -0.534 0.000 -0.515) 0.742 2.161 ( -1.985 0.000 0.334) 2.013 2.432 ( 4.132 0.000 -6.032) 7.312 2.546 ( -12.662 0.000 -6.896) 14.419 2.727 ( -0.260 0.000 -0.069) 0.269 2.826 ( 0.331 0.000 4.809) 4.820 2.842 ( 0.345 0.000 0.821) 0.891 3.385 ( -0.534 0.000 -2.653) 2.706 3.546 ( 2.116 0.000 0.262) 2.132 3.978 ( 1.783 0.000 0.320) 1.811 4.066 ( -0.338 0.000 0.819) 0.885 4.688 ( 1.561 0.000 1.968) 2.512 5.090 ( -1.809 0.000 0.119) 1.813 5.458 ( 4.893 0.000 -0.695) 4.942 5.624 ( -3.523 0.000 0.086) 3.524 5.785 ( -0.966 0.000 -0.784) 1.244 6.093 ( -2.598 0.000 -2.259) 3.443 6.223 ( -2.535 0.000 -0.524) 2.589 6.245 ( 6.642 0.000 -0.467) 6.658 6.286 ( -0.296 0.000 -0.638) 0.704 6.497 ( -1.626 0.000 0.729) 1.782 6.517 ( 0.274 0.000 4.108) 4.117 6.586 ( 0.588 0.000 1.236) 1.369 6.620 ( -2.504 0.000 -2.326) 3.418 6.738 ( -0.680 0.000 0.366) 0.772 6.778 ( 12.614 0.000 -3.781) 13.169 6.933 ( 0.998 0.000 -3.088) 3.246 7.310 ( -5.404 0.000 -0.864) 5.473 7.525 ( 0.704 0.000 -1.235) 1.422 7.690 ( 1.159 0.000 0.199) 1.175 7.857 ( -3.854 0.000 2.413) 4.548 7.965 ( -0.182 0.000 0.414) 0.453 8.026 ( -0.385 0.000 2.341) 2.372 8.047 ( -1.294 0.000 -1.506) 1.985 8.256 ( 5.175 0.000 -0.975) 5.266 8.405 ( -11.906 0.000 6.539) 13.583 8.625 ( 1.359 0.000 0.111) 1.363 8.685 ( -0.131 0.000 -1.338) 1.345 8.771 ( -0.872 0.000 1.218) 1.498 8.843 ( 0.074 0.000 0.058) 0.094 8.853 ( -0.071 0.000 -0.027) 0.076 9.185 ( 0.800 0.000 -0.507) 0.947 9.325 ( 0.759 0.000 0.879) 1.161 9.731 ( 0.824 0.000 3.521) 3.616 9.815 ( 2.364 0.000 -5.332) 5.833 11.314 ( 2.549 0.000 -0.696) 2.642 11.741 ( -10.247 0.000 2.894) 10.648 ======================= Grid point 67 (24/91) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -1.738 0.000 2.385) 2.951 0.784 ( -3.493 0.000 4.518) 5.710 0.928 ( 15.606 0.000 -8.686) 17.860 1.159 ( -1.648 0.000 -2.540) 3.028 1.219 ( 0.978 0.000 -3.010) 3.165 1.324 ( 6.981 0.000 -1.339) 7.108 1.449 ( -7.154 0.000 1.100) 7.238 1.520 ( 3.872 0.000 0.984) 3.995 1.654 ( -1.749 0.000 4.327) 4.667 1.664 ( 1.213 0.000 -2.721) 2.979 1.942 ( -4.333 0.000 -5.162) 6.740 2.014 ( 0.672 0.000 -7.811) 7.840 2.024 ( 1.067 0.000 2.735) 2.936 2.087 ( -1.247 0.000 -2.548) 2.837 2.242 ( 3.130 0.000 8.209) 8.785 2.283 ( -3.522 0.000 2.191) 4.148 2.479 ( 2.624 0.000 -0.388) 2.653 2.726 ( 0.019 0.000 0.453) 0.453 2.844 ( -0.307 0.000 -0.321) 0.444 2.889 ( 0.436 0.000 7.510) 7.523 3.333 ( -1.418 0.000 -3.596) 3.866 3.594 ( 2.037 0.000 -0.094) 2.039 4.004 ( 0.842 0.000 -0.630) 1.052 4.069 ( -0.310 0.000 1.044) 1.089 4.700 ( -0.603 0.000 -1.583) 1.694 5.065 ( -0.758 0.000 0.008) 0.758 5.537 ( 3.410 0.000 -0.627) 3.467 5.609 ( 0.708 0.000 1.621) 1.769 5.747 ( -1.380 0.000 -1.659) 2.158 6.010 ( -1.469 0.000 -7.438) 7.581 6.187 ( -2.155 0.000 2.656) 3.420 6.288 ( 0.393 0.000 0.737) 0.835 6.326 ( 1.754 0.000 3.249) 3.692 6.480 ( -1.115 0.000 1.231) 1.661 6.544 ( -3.232 0.000 0.574) 3.282 6.604 ( 0.430 0.000 0.308) 0.529 6.621 ( 4.595 0.000 4.646) 6.534 6.724 ( -1.024 0.000 0.173) 1.039 6.896 ( 0.508 0.000 -2.625) 2.674 6.947 ( 4.401 0.000 -1.892) 4.790 7.210 ( 0.126 0.000 -7.956) 7.957 7.526 ( 0.671 0.000 -1.271) 1.437 7.686 ( 0.698 0.000 -2.367) 2.468 7.842 ( -3.139 0.000 6.825) 7.512 7.966 ( -0.182 0.000 0.449) 0.485 7.968 ( -3.238 0.000 1.931) 3.771 8.102 ( 2.585 0.000 0.103) 2.587 8.270 ( -6.738 0.000 2.535) 7.199 8.326 ( 1.936 0.000 -0.509) 2.002 8.650 ( 1.483 0.000 -1.463) 2.083 8.670 ( -0.040 0.000 -1.242) 1.243 8.745 ( -1.856 0.000 -0.143) 1.862 8.844 ( 0.010 0.000 -0.042) 0.043 8.852 ( -0.025 0.000 0.035) 0.043 9.194 ( 0.520 0.000 0.218) 0.564 9.334 ( -0.181 0.000 -0.632) 0.658 9.690 ( -1.531 0.000 -4.972) 5.203 9.918 ( 4.952 0.000 8.913) 10.196 11.356 ( 3.168 0.000 -2.448) 4.003 11.582 ( -9.114 0.000 1.127) 9.183 ======================= Grid point 68 (25/91) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -13.708 0.000 -3.269) 14.092 0.628 ( -14.396 0.000 1.092) 14.437 1.021 ( -4.221 0.000 -1.887) 4.624 1.134 ( 3.180 0.000 -4.348) 5.387 1.219 ( 0.568 0.000 -1.421) 1.531 1.231 ( -6.455 0.000 -6.583) 9.219 1.376 ( -8.396 0.000 2.872) 8.874 1.598 ( 3.108 0.000 -1.843) 3.613 1.657 ( 5.920 0.000 5.947) 8.391 1.680 ( -1.206 0.000 -2.307) 2.604 1.885 ( -0.882 0.000 -8.983) 9.026 1.985 ( 9.576 0.000 -1.687) 9.723 2.020 ( -1.604 0.000 -6.296) 6.497 2.066 ( 0.014 0.000 3.902) 3.903 2.248 ( -0.182 0.000 5.734) 5.737 2.423 ( 2.455 0.000 -1.035) 2.664 2.604 ( 5.896 0.000 11.868) 13.252 2.734 ( 0.052 0.000 0.982) 0.983 2.828 ( -0.674 0.000 -1.018) 1.221 2.983 ( 2.035 0.000 7.086) 7.373 3.284 ( 1.072 0.000 -5.552) 5.655 3.600 ( -0.920 0.000 -0.802) 1.221 3.990 ( -1.242 0.000 -1.380) 1.857 4.072 ( -0.507 0.000 1.107) 1.218 4.647 ( -2.478 0.000 -2.585) 3.581 5.067 ( 0.877 0.000 0.043) 0.879 5.532 ( -3.179 0.000 -0.679) 3.251 5.660 ( 2.758 0.000 0.521) 2.807 5.737 ( 2.263 0.000 -1.899) 2.954 5.928 ( -0.794 0.000 -3.716) 3.800 6.195 ( -0.568 0.000 3.954) 3.995 6.307 ( 0.473 0.000 1.177) 1.269 6.404 ( 3.707 0.000 4.634) 5.935 6.483 ( 0.119 0.000 1.298) 1.303 6.485 ( -3.064 0.000 0.313) 3.080 6.602 ( -0.931 0.000 0.243) 0.962 6.714 ( 0.070 0.000 -0.065) 0.095 6.772 ( 2.629 0.000 7.828) 8.257 6.849 ( 0.103 0.000 -3.598) 3.600 6.934 ( -1.203 0.000 -5.051) 5.192 7.179 ( 3.390 0.000 -9.470) 10.059 7.526 ( 0.589 0.000 -1.274) 1.404 7.683 ( 2.197 0.000 -6.912) 7.253 7.836 ( -4.013 0.000 5.934) 7.164 7.967 ( -0.233 0.000 0.458) 0.514 7.977 ( -0.162 0.000 8.990) 8.991 8.115 ( -1.482 0.000 0.358) 1.525 8.194 ( -2.058 0.000 -1.330) 2.451 8.332 ( -1.087 0.000 -0.376) 1.150 8.625 ( -0.291 0.000 -3.352) 3.365 8.683 ( 0.821 0.000 0.271) 0.865 8.726 ( 0.129 0.000 -0.434) 0.453 8.842 ( -0.079 0.000 -0.062) 0.100 8.853 ( 0.057 0.000 0.043) 0.072 9.208 ( 0.451 0.000 0.591) 0.744 9.310 ( -1.062 0.000 -1.292) 1.672 9.639 ( -0.118 0.000 -2.583) 2.586 10.101 ( 5.014 0.000 9.307) 10.572 11.361 ( -0.331 0.000 -3.342) 3.359 11.459 ( -3.902 0.000 -0.040) 3.902 ======================= Grid point 69 (26/91) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -14.933 0.000 11.881) 19.083 0.401 ( -10.808 0.000 20.927) 23.553 0.682 ( -31.323 0.000 8.654) 32.496 1.067 ( -1.247 0.000 -16.254) 16.301 1.173 ( 3.964 0.000 -2.414) 4.641 1.209 ( -0.118 0.000 -1.458) 1.463 1.309 ( 0.390 0.000 -0.516) 0.647 1.656 ( 0.624 0.000 -1.559) 1.679 1.689 ( 4.634 0.000 0.253) 4.641 1.803 ( 4.632 0.000 4.490) 6.451 1.846 ( 4.102 0.000 -4.229) 5.892 1.908 ( -3.218 0.000 -8.917) 9.480 2.078 ( -0.326 0.000 -1.428) 1.465 2.099 ( 0.005 0.000 3.002) 3.002 2.303 ( 0.083 0.000 -2.095) 2.097 2.437 ( 1.712 0.000 1.663) 2.387 2.732 ( -2.544 0.000 1.435) 2.921 2.741 ( -0.344 0.000 0.760) 0.835 2.812 ( -0.099 0.000 -0.229) 0.250 3.030 ( -1.013 0.000 -2.870) 3.043 3.296 ( 5.514 0.000 -3.824) 6.710 3.562 ( -2.014 0.000 0.700) 2.132 3.949 ( -1.526 0.000 -0.175) 1.536 4.071 ( -0.654 0.000 0.919) 1.128 4.598 ( -1.239 0.000 0.679) 1.413 5.093 ( 1.632 0.000 0.198) 1.644 5.451 ( -3.966 0.000 -0.825) 4.051 5.699 ( 3.074 0.000 -0.236) 3.083 5.768 ( 2.273 0.000 -1.215) 2.577 5.946 ( 2.928 0.000 2.429) 3.805 6.222 ( -0.597 0.000 3.335) 3.388 6.318 ( -0.045 0.000 0.087) 0.098 6.411 ( -2.453 0.000 -3.207) 4.037 6.503 ( 0.854 0.000 0.784) 1.159 6.580 ( -1.917 0.000 1.220) 2.273 6.595 ( 6.959 0.000 8.836) 11.247 6.702 ( -5.527 0.000 -3.294) 6.434 6.724 ( 0.851 0.000 0.001) 0.851 6.838 ( -3.432 0.000 -10.624) 11.165 6.962 ( -1.791 0.000 0.887) 1.999 7.121 ( 8.373 0.000 -6.921) 10.864 7.525 ( 0.571 0.000 -1.241) 1.366 7.588 ( -5.833 0.000 -2.035) 6.178 7.853 ( 1.214 0.000 3.561) 3.762 7.966 ( -0.265 0.000 0.429) 0.504 8.058 ( -4.172 0.000 1.933) 4.598 8.140 ( 1.855 0.000 -0.365) 1.891 8.170 ( 3.146 0.000 9.482) 9.991 8.313 ( 1.615 0.000 4.377) 4.665 8.603 ( 0.564 0.000 -1.719) 1.809 8.685 ( -0.212 0.000 -1.841) 1.853 8.738 ( 0.864 0.000 0.686) 1.103 8.841 ( -0.055 0.000 0.008) 0.056 8.854 ( 0.049 0.000 0.004) 0.049 9.213 ( -0.255 0.000 -0.465) 0.530 9.291 ( -0.220 0.000 0.229) 0.318 9.634 ( 0.907 0.000 -0.501) 1.036 10.182 ( -2.745 0.000 -7.283) 7.783 11.306 ( -1.918 0.000 -0.915) 2.125 11.494 ( 5.891 0.000 12.527) 13.843 ======================= Grid point 70 (27/91) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( -6.979 14.426 3.217) 16.346 0.597 ( 0.457 13.932 12.289) 18.583 0.982 ( 0.634 11.370 -7.026) 13.381 1.036 ( 4.107 20.408 6.716) 21.874 1.337 ( 3.517 1.631 1.673) 4.223 1.397 ( -0.414 16.641 -1.394) 16.704 1.440 ( 1.681 15.254 0.201) 15.347 1.585 ( 0.695 -4.201 -1.074) 4.392 1.672 ( 0.482 2.667 0.980) 2.882 1.785 ( -1.680 1.450 -1.004) 2.436 1.928 ( 1.312 1.250 2.472) 3.066 2.000 ( -0.041 7.905 -5.517) 9.640 2.130 ( 1.012 10.205 1.758) 10.404 2.228 ( -2.558 4.450 -4.788) 7.020 2.287 ( -0.206 11.140 2.035) 11.326 2.423 ( -0.766 2.213 1.331) 2.693 2.658 ( -2.689 -1.136 7.621) 8.161 2.819 ( -1.041 5.759 -1.620) 6.072 2.963 ( 0.117 13.102 -1.758) 13.220 3.051 ( -0.463 15.666 -6.532) 16.980 3.345 ( 3.363 -0.112 -1.896) 3.862 3.481 ( -1.787 -5.724 0.850) 6.057 3.955 ( 0.924 1.392 1.552) 2.280 4.568 ( 0.539 -3.437 2.337) 4.191 4.936 ( -2.387 37.252 -15.593) 40.454 5.317 ( 3.986 15.186 -7.165) 17.258 5.521 ( -3.269 9.902 -1.325) 10.511 5.646 ( -2.574 -4.220 0.647) 4.985 5.886 ( -0.055 3.721 -0.365) 3.739 5.943 ( 8.213 -7.185 -2.379) 11.169 6.026 ( -1.746 -10.520 2.548) 10.964 6.236 ( -1.454 1.864 1.877) 3.019 6.335 ( -0.577 -6.017 1.135) 6.150 6.458 ( 0.251 -3.194 2.578) 4.112 6.561 ( -1.869 7.889 -0.181) 8.109 6.654 ( -1.067 -0.826 -1.179) 1.792 6.683 ( 0.687 4.014 -1.745) 4.431 6.740 ( -1.749 7.202 -4.668) 8.758 6.885 ( 1.569 12.293 -3.258) 12.813 6.990 ( -0.335 4.549 -1.910) 4.945 7.330 ( 6.641 -4.099 5.453) 9.520 7.342 ( -3.788 -3.152 2.714) 5.626 7.731 ( 3.260 4.721 -6.849) 8.935 7.918 ( -0.877 0.468 0.149) 1.005 7.954 ( 0.205 -1.587 -0.592) 1.706 8.070 ( -1.320 7.732 0.558) 7.863 8.141 ( 0.822 -1.781 -0.474) 2.018 8.171 ( -2.623 1.478 -0.300) 3.025 8.371 ( -2.346 -5.109 7.562) 9.422 8.524 ( 1.516 -6.882 -0.602) 7.073 8.567 ( 1.181 -4.023 2.373) 4.818 8.727 ( -0.048 -2.129 0.947) 2.330 8.920 ( 0.073 3.904 -0.475) 3.933 9.161 ( -0.183 -0.663 -0.171) 0.709 9.249 ( 0.507 -4.484 1.162) 4.659 9.361 ( 1.485 13.943 -12.848) 19.018 9.686 ( 3.710 3.492 0.900) 5.174 9.859 ( -8.453 -1.116 -2.200) 8.806 11.250 ( 0.324 -3.787 -0.175) 3.804 11.567 ( 1.955 -14.671 9.688) 17.689 ======================= Grid point 71 (28/91) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 22.026 6.513 0.954) 22.989 0.764 ( 4.088 7.104 8.455) 11.776 1.003 ( 5.472 13.852 -1.178) 14.940 1.138 ( 6.313 6.474 -3.964) 9.873 1.376 ( -0.364 12.041 -0.408) 12.054 1.421 ( -0.021 14.631 -1.631) 14.721 1.450 ( 1.316 4.001 0.021) 4.212 1.585 ( -0.782 -1.969 0.562) 2.192 1.685 ( -0.948 -0.654 -1.714) 2.065 1.712 ( -3.302 8.174 4.275) 9.797 1.954 ( -0.205 3.991 6.241) 7.410 2.029 ( 2.083 3.658 -4.213) 5.956 2.088 ( -1.550 1.564 0.393) 2.237 2.216 ( 1.594 11.672 1.017) 11.824 2.302 ( -0.025 11.538 -0.291) 11.542 2.422 ( 0.397 0.830 -0.090) 0.925 2.567 ( -8.774 4.458 -3.465) 10.434 2.814 ( 0.242 2.588 1.212) 2.868 2.934 ( 0.292 15.109 -2.450) 15.309 3.024 ( -0.068 16.071 -0.289) 16.074 3.355 ( -0.265 -0.639 -1.865) 1.989 3.467 ( 0.038 -6.259 0.546) 6.283 3.982 ( 0.659 1.535 0.574) 1.766 4.603 ( 0.767 2.755 1.413) 3.190 4.723 ( -5.811 34.070 -5.468) 34.992 5.279 ( -2.174 15.928 -2.114) 16.214 5.506 ( 1.489 -1.493 0.094) 2.111 5.619 ( 1.225 5.016 -0.131) 5.165 5.844 ( -2.570 -0.143 -3.133) 4.055 6.016 ( 1.787 -1.683 -2.014) 3.175 6.056 ( 2.020 -12.073 2.030) 12.408 6.214 ( -2.664 1.949 2.358) 4.056 6.377 ( 2.119 -0.515 0.160) 2.186 6.472 ( -1.168 1.940 3.596) 4.249 6.523 ( -0.928 -0.681 -2.281) 2.555 6.636 ( 1.026 4.178 -1.985) 4.738 6.706 ( -0.091 7.546 1.729) 7.742 6.750 ( 4.877 4.006 -0.762) 6.357 6.885 ( 2.531 6.922 -3.626) 8.214 6.962 ( -0.700 2.696 -2.807) 3.954 7.276 ( -4.193 -3.306 -1.083) 5.448 7.429 ( 0.507 -4.799 3.900) 6.205 7.735 ( 2.628 2.876 -4.756) 6.148 7.858 ( -2.585 -0.124 1.060) 2.796 8.024 ( 2.810 -0.151 0.174) 2.820 8.046 ( -3.068 6.133 2.743) 7.386 8.091 ( 0.115 3.835 -1.443) 4.099 8.216 ( 3.560 -2.756 0.029) 4.502 8.337 ( -5.732 -3.031 3.992) 7.614 8.547 ( 1.630 -6.796 -0.525) 7.008 8.614 ( 0.590 -3.597 1.568) 3.968 8.728 ( -0.802 -2.657 0.826) 2.896 8.919 ( 0.293 3.276 -0.447) 3.320 9.119 ( -4.866 8.312 -1.102) 9.694 9.213 ( -2.314 7.522 -2.939) 8.401 9.277 ( 0.577 -3.774 0.778) 3.897 9.728 ( -1.285 0.071 1.429) 1.923 9.815 ( 3.678 0.671 -2.413) 4.450 11.270 ( 2.124 -4.195 -0.583) 4.738 11.588 ( -5.643 -11.899 4.537) 13.929 ======================= Grid point 72 (29/91) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.452 6.124 0.568) 6.166 0.873 ( 10.451 0.889 -4.783) 11.528 1.042 ( -1.768 18.353 4.289) 18.930 1.268 ( 6.311 -0.999 -8.010) 10.246 1.332 ( 3.218 8.360 -5.258) 10.387 1.384 ( 0.751 10.778 0.074) 10.805 1.462 ( -3.174 8.302 -0.743) 8.919 1.543 ( -0.391 -2.158 2.808) 3.563 1.657 ( -1.740 0.867 -0.832) 2.115 1.700 ( -3.700 3.026 5.349) 7.173 1.927 ( -0.420 -1.703 -8.452) 8.632 2.091 ( -0.700 7.883 5.116) 9.424 2.122 ( 3.438 10.700 0.034) 11.238 2.197 ( -5.127 8.640 0.728) 10.074 2.305 ( 2.545 11.154 0.344) 11.446 2.417 ( -2.905 8.340 1.583) 8.972 2.447 ( 1.479 0.659 2.077) 2.634 2.820 ( -0.358 1.323 0.415) 1.432 2.949 ( 2.049 14.217 1.146) 14.409 3.017 ( -0.559 15.253 -0.381) 15.268 3.315 ( -0.957 -0.522 -3.433) 3.602 3.487 ( 0.734 -6.897 1.402) 7.076 3.991 ( 0.027 1.767 0.201) 1.778 4.623 ( 1.364 25.992 1.268) 26.059 4.643 ( -2.065 7.898 -0.756) 8.199 5.236 ( -0.750 14.577 -1.055) 14.634 5.545 ( 1.897 -4.416 1.863) 5.155 5.674 ( 3.902 9.713 -0.700) 10.491 5.755 ( -3.357 -2.145 -3.547) 5.334 5.995 ( -0.972 1.907 -3.418) 4.033 6.105 ( 1.610 -14.016 0.716) 14.126 6.196 ( -1.969 2.134 3.143) 4.280 6.399 ( 0.748 4.985 0.633) 5.081 6.451 ( -1.975 0.705 -1.446) 2.547 6.531 ( -0.261 -1.290 4.545) 4.732 6.657 ( 2.724 5.530 1.338) 6.308 6.739 ( 1.250 7.362 1.372) 7.593 6.782 ( -0.400 4.163 0.092) 4.184 6.879 ( -1.654 -1.550 -3.007) 3.766 6.960 ( 2.618 1.542 -1.060) 3.218 7.193 ( 0.686 -1.780 -7.930) 8.156 7.449 ( -1.078 -4.508 2.110) 5.093 7.742 ( 2.579 3.408 -2.959) 5.198 7.850 ( -0.560 0.779 1.494) 1.775 7.993 ( -3.214 4.185 4.385) 6.860 8.060 ( -0.360 3.100 0.178) 3.126 8.128 ( 3.291 3.715 -1.056) 5.074 8.252 ( -4.372 -1.693 2.382) 5.259 8.280 ( 0.923 -2.088 0.260) 2.298 8.564 ( 0.921 -6.635 -1.684) 6.907 8.616 ( -0.675 -3.922 0.092) 3.981 8.713 ( -1.068 -2.415 0.019) 2.641 8.923 ( 0.460 3.060 -0.139) 3.098 9.038 ( -2.072 13.545 -0.242) 13.705 9.192 ( 0.258 0.834 -0.459) 0.987 9.285 ( -0.184 -4.278 -0.505) 4.311 9.682 ( -1.197 -0.406 -3.880) 4.080 9.913 ( 3.758 -0.099 7.246) 8.163 11.304 ( 2.504 -4.788 -1.819) 5.702 11.494 ( -6.735 -7.738 1.125) 10.320 ======================= Grid point 73 (30/91) ======================= q-point: (-0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -7.810 10.019 -2.383) 12.925 0.815 ( -10.116 9.883 -0.339) 14.147 1.087 ( -3.621 12.553 3.622) 13.557 1.228 ( -1.299 3.021 -8.910) 9.497 1.270 ( 2.675 5.734 -7.269) 9.637 1.388 ( -1.032 8.289 -0.617) 8.376 1.458 ( -2.720 12.234 2.587) 12.797 1.565 ( -2.159 0.354 -1.149) 2.471 1.656 ( 3.253 -0.745 0.352) 3.356 1.718 ( 3.248 3.139 3.983) 6.022 1.847 ( -0.295 0.821 -8.072) 8.119 2.018 ( -1.501 4.506 1.757) 5.064 2.185 ( 0.496 11.649 -2.046) 11.838 2.209 ( 4.472 13.800 -0.697) 14.523 2.315 ( -1.557 7.717 4.182) 8.915 2.415 ( 0.041 0.056 -2.506) 2.507 2.554 ( 0.826 -0.238 11.202) 11.235 2.822 ( 0.152 3.373 1.010) 3.524 2.988 ( -0.939 14.094 -0.271) 14.128 3.038 ( 4.609 13.090 2.055) 14.029 3.272 ( 1.232 0.120 -5.891) 6.020 3.506 ( -0.440 -6.180 1.829) 6.460 3.981 ( -0.904 1.308 -1.151) 1.963 4.594 ( -2.151 -3.323 -1.290) 4.163 4.715 ( 6.973 39.811 3.506) 40.569 5.233 ( 1.688 14.448 -1.577) 14.632 5.599 ( 2.086 -4.280 -0.809) 4.830 5.657 ( -4.068 5.846 1.727) 7.328 5.736 ( 2.886 2.836 -1.660) 4.373 5.944 ( -0.139 1.129 -3.976) 4.135 6.115 ( -0.842 -15.012 -0.366) 15.041 6.204 ( -0.525 1.685 3.415) 3.844 6.407 ( -1.003 -0.565 0.271) 1.182 6.424 ( -0.250 4.629 0.791) 4.703 6.575 ( 1.011 1.673 4.201) 4.634 6.701 ( -2.185 3.890 0.176) 4.465 6.771 ( -1.427 -0.044 2.285) 2.695 6.778 ( 1.775 6.235 2.384) 6.907 6.865 ( 5.140 1.849 -2.243) 5.905 6.936 ( -1.388 0.538 -4.664) 4.896 7.178 ( 3.959 0.542 -7.492) 8.491 7.430 ( -2.890 -4.319 1.542) 5.421 7.778 ( 4.525 4.587 -4.442) 7.826 7.834 ( -1.223 0.605 -1.091) 1.747 8.030 ( 0.886 4.526 9.165) 10.260 8.047 ( -1.598 2.982 1.110) 3.561 8.150 ( 0.443 3.604 -1.730) 4.022 8.181 ( -3.981 0.304 1.246) 4.182 8.298 ( -0.532 -1.787 0.436) 1.915 8.542 ( -0.260 -6.654 -3.304) 7.434 8.604 ( -1.253 -5.124 0.701) 5.322 8.702 ( 0.176 -1.974 -0.263) 2.000 8.927 ( -0.014 3.943 -0.085) 3.944 9.050 ( 3.528 12.953 0.054) 13.425 9.203 ( 1.410 1.090 -0.166) 1.790 9.263 ( -1.084 -4.050 -1.127) 4.341 9.641 ( 0.026 0.538 -2.376) 2.437 10.048 ( 2.400 -4.047 7.691) 9.016 11.307 ( -0.607 -4.933 -2.142) 5.412 11.404 ( -2.758 -5.119 -0.115) 5.815 ======================= Grid point 74 (31/91) ======================= q-point: (-0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -14.308 10.924 2.409) 18.162 0.602 ( -12.843 11.370 7.983) 18.919 0.969 ( -8.535 26.696 7.831) 29.100 1.104 ( -1.659 5.054 -12.544) 13.626 1.279 ( 2.879 2.094 -1.846) 4.010 1.397 ( 2.512 14.311 -1.083) 14.571 1.417 ( -0.550 16.274 -0.851) 16.305 1.571 ( 1.806 -4.762 -1.255) 5.245 1.665 ( 0.030 3.555 -0.449) 3.583 1.780 ( 1.188 -2.251 0.847) 2.683 1.868 ( 4.172 0.886 -0.656) 4.315 2.060 ( 2.098 9.011 3.912) 10.046 2.111 ( -2.336 10.911 -8.239) 13.870 2.266 ( 0.911 11.923 1.787) 12.091 2.323 ( -2.846 4.777 -1.217) 5.693 2.405 ( 0.876 -0.625 2.422) 2.651 2.617 ( -2.230 -1.643 7.881) 8.353 2.839 ( -0.196 6.054 1.127) 6.161 2.967 ( -0.329 13.789 -0.624) 13.807 3.110 ( 1.529 11.985 -3.566) 12.597 3.279 ( 5.422 0.083 -3.842) 6.646 3.502 ( -1.605 -5.172 1.403) 5.594 3.948 ( -1.193 1.167 -0.224) 1.684 4.558 ( -1.092 -3.357 0.561) 3.574 4.924 ( 13.599 39.049 -4.760) 41.622 5.271 ( 5.797 14.777 -4.645) 16.539 5.580 ( -1.483 7.928 0.566) 8.085 5.630 ( 0.446 -0.940 -2.445) 2.657 5.802 ( 2.574 -0.094 5.724) 6.277 5.924 ( 1.360 -1.650 -4.304) 4.806 6.072 ( -2.916 -15.097 -1.021) 15.409 6.229 ( -0.265 1.382 2.746) 3.085 6.390 ( -3.610 -1.088 0.814) 3.858 6.420 ( 0.839 -2.569 1.091) 2.915 6.597 ( -2.764 4.128 2.127) 5.404 6.666 ( -0.658 0.479 0.600) 1.011 6.740 ( -2.808 1.505 -1.137) 3.383 6.801 ( 0.316 2.294 -2.064) 3.102 6.890 ( 2.307 6.585 -5.086) 8.635 7.002 ( 3.105 3.398 3.930) 6.052 7.160 ( 5.527 4.232 -7.042) 9.902 7.383 ( -4.277 -2.882 3.326) 6.137 7.760 ( 1.413 6.064 -8.325) 10.396 7.858 ( 3.192 -0.201 1.018) 3.357 8.019 ( -3.011 0.558 0.833) 3.174 8.105 ( -1.995 4.743 -0.728) 5.197 8.127 ( -0.102 -0.187 -0.806) 0.834 8.199 ( 1.173 3.818 9.145) 9.979 8.281 ( -0.297 -1.448 2.871) 3.229 8.516 ( 0.387 -6.873 -2.080) 7.191 8.576 ( -2.317 -5.858 0.484) 6.319 8.713 ( 0.721 -1.830 0.474) 2.023 8.924 ( -0.080 4.297 -0.290) 4.307 9.138 ( 3.991 4.811 -0.311) 6.259 9.237 ( 0.355 -3.454 -0.446) 3.501 9.274 ( 9.107 9.811 -3.306) 13.789 9.639 ( 1.223 1.144 -0.581) 1.773 10.071 ( -6.006 -6.974 -0.627) 9.225 11.264 ( -1.597 -3.955 -0.690) 4.321 11.418 ( 1.963 -5.926 6.507) 9.018 ======================= Grid point 75 (32/91) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.501 20.726 -0.106) 20.732 0.917 ( 2.139 16.500 0.114) 16.638 1.147 ( 2.428 8.335 -7.301) 11.343 1.394 ( -1.211 9.370 -2.356) 9.737 1.551 ( 1.941 16.083 4.105) 16.712 1.561 ( 1.285 3.971 0.451) 4.198 1.651 ( 2.544 10.086 -0.435) 10.411 1.786 ( 0.722 17.355 -1.030) 17.401 1.816 ( -0.121 6.703 -3.852) 7.732 1.872 ( -4.329 5.798 4.767) 8.665 2.011 ( 1.043 4.471 -0.698) 4.644 2.099 ( -3.402 4.711 1.796) 6.082 2.295 ( -0.055 6.645 -5.771) 8.801 2.342 ( 0.750 6.555 3.529) 7.482 2.480 ( -2.279 8.925 2.179) 9.466 2.609 ( 0.844 12.905 3.922) 13.514 2.726 ( 0.447 8.928 -0.793) 8.974 3.010 ( -0.064 12.932 -0.403) 12.938 3.202 ( 0.853 5.093 -2.447) 5.714 3.324 ( 0.843 -5.485 -0.164) 5.551 3.414 ( 0.930 18.305 -1.813) 18.418 3.510 ( -1.912 17.202 -1.065) 17.340 4.023 ( 0.243 5.675 2.801) 6.334 4.468 ( -0.174 -5.400 1.417) 5.586 5.398 ( 1.288 -5.650 -3.912) 6.992 5.516 ( -1.223 12.388 2.830) 12.766 5.552 ( -2.628 -5.565 -5.840) 8.484 5.694 ( -0.206 2.909 0.865) 3.042 5.850 ( -0.300 9.676 -2.133) 9.913 5.893 ( 1.360 6.406 -0.224) 6.553 6.070 ( 1.775 4.140 3.324) 5.598 6.308 ( 2.117 4.082 0.483) 4.624 6.330 ( -1.988 4.749 1.529) 5.371 6.456 ( 0.733 4.240 0.681) 4.356 6.621 ( -2.083 -0.723 -2.534) 3.359 6.690 ( -0.568 5.476 0.576) 5.535 6.748 ( -0.277 1.805 1.177) 2.173 6.840 ( 4.018 2.663 1.726) 5.120 7.047 ( -0.997 4.580 -0.905) 4.774 7.192 ( -0.930 13.962 -6.751) 15.536 7.290 ( 2.399 -1.308 1.216) 2.991 7.366 ( -1.269 6.510 0.565) 6.656 7.793 ( 1.564 0.561 -5.483) 5.729 7.890 ( -2.376 -4.847 -0.304) 5.407 7.931 ( 1.541 0.660 0.459) 1.738 8.075 ( 0.471 -3.759 -0.731) 3.858 8.181 ( 0.655 0.807 0.105) 1.044 8.257 ( -4.685 3.993 1.853) 6.429 8.296 ( 0.349 -6.616 -1.662) 6.830 8.385 ( 1.175 0.873 -0.001) 1.463 8.508 ( 1.443 -1.408 5.532) 5.888 8.681 ( -0.350 -2.267 0.411) 2.331 8.902 ( -0.273 -5.537 -1.026) 5.638 9.133 ( 0.245 -5.889 1.147) 6.004 9.203 ( 0.311 3.502 0.127) 3.519 9.438 ( 0.461 -1.997 -4.055) 4.544 9.794 ( 5.118 5.242 -1.582) 7.495 9.874 ( -7.183 3.596 0.273) 8.038 11.147 ( 0.140 -5.938 -0.204) 5.943 11.328 ( 0.437 -9.805 4.397) 10.755 ======================= Grid point 76 (33/91) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 11.916 15.991 0.459) 19.948 0.981 ( 2.889 13.675 1.256) 14.033 1.179 ( 7.754 6.341 -6.165) 11.762 1.367 ( -0.242 10.047 0.564) 10.066 1.540 ( -0.651 5.681 -2.048) 6.073 1.603 ( -3.574 11.198 2.197) 11.958 1.649 ( -1.960 8.493 -3.754) 9.491 1.715 ( 0.100 8.835 -7.641) 11.681 1.798 ( -1.707 11.452 2.039) 11.757 1.837 ( -3.297 9.359 5.402) 11.298 2.002 ( -2.093 -0.665 -2.987) 3.707 2.077 ( 0.783 1.487 2.706) 3.186 2.306 ( 2.790 9.765 0.518) 10.169 2.399 ( -1.010 11.284 7.187) 13.416 2.486 ( 1.976 9.390 1.510) 9.713 2.652 ( 0.582 16.957 2.592) 17.164 2.696 ( -2.185 8.133 -2.535) 8.794 2.987 ( -0.169 14.033 -4.431) 14.717 3.197 ( 1.193 5.640 -2.080) 6.128 3.324 ( -1.063 -5.617 0.243) 5.722 3.413 ( 0.416 19.838 -1.138) 19.875 3.469 ( -1.676 15.286 0.387) 15.383 4.054 ( 0.601 5.859 1.676) 6.124 4.486 ( 0.299 -6.947 1.529) 7.119 5.381 ( 0.474 1.673 -4.040) 4.398 5.434 ( -4.330 8.497 -0.577) 9.554 5.533 ( -0.066 -0.943 0.734) 1.197 5.647 ( -3.840 8.176 -0.820) 9.070 5.794 ( -0.870 2.798 -0.457) 2.965 5.956 ( 4.280 5.228 -1.821) 6.998 6.142 ( 1.278 6.981 4.135) 8.214 6.301 ( -1.936 5.876 0.865) 6.247 6.397 ( 5.628 2.907 -0.320) 6.342 6.477 ( 0.178 2.836 1.716) 3.319 6.575 ( -0.983 2.498 -0.550) 2.740 6.697 ( 0.793 3.264 -0.104) 3.361 6.782 ( 2.675 2.062 1.056) 3.539 6.907 ( 1.367 7.781 0.883) 7.950 6.989 ( -3.232 0.455 -3.649) 4.895 7.073 ( -5.494 8.805 -1.800) 10.534 7.236 ( -3.162 2.506 -3.493) 5.336 7.411 ( 0.491 2.921 2.282) 3.738 7.773 ( 1.027 0.058 -3.597) 3.741 7.842 ( -0.083 -2.461 -0.339) 2.485 8.006 ( 3.610 -1.381 0.091) 3.867 8.074 ( 0.560 -3.043 -1.014) 3.256 8.160 ( -2.798 0.290 1.577) 3.224 8.234 ( -0.974 -0.232 2.648) 2.831 8.303 ( 2.618 3.244 -2.369) 4.794 8.412 ( 2.044 -3.064 -0.500) 3.717 8.565 ( -0.681 -1.029 3.936) 4.125 8.668 ( -1.136 -3.024 0.286) 3.243 8.889 ( -0.107 -5.494 -0.825) 5.556 9.146 ( -0.012 -5.634 0.847) 5.697 9.217 ( 1.098 3.204 0.039) 3.387 9.365 ( -3.776 1.567 -2.942) 5.037 9.768 ( -3.435 4.503 -1.186) 5.786 9.867 ( 2.916 4.458 1.078) 5.435 11.158 ( 1.249 -6.390 -0.354) 6.521 11.350 ( -2.052 -10.780 2.935) 11.359 ======================= Grid point 77 (34/91) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 6.083 9.657 -0.907) 11.450 1.016 ( 4.088 12.566 -1.721) 13.326 1.264 ( 6.461 1.494 -6.128) 9.030 1.348 ( -3.786 8.912 0.999) 9.734 1.514 ( -3.579 4.301 -4.917) 7.449 1.541 ( 3.346 12.308 2.932) 13.087 1.603 ( -1.089 9.783 1.381) 9.940 1.635 ( -2.807 5.245 -5.796) 8.306 1.795 ( 0.051 7.690 2.431) 8.065 1.818 ( -1.776 12.237 -0.645) 12.382 1.980 ( 1.017 9.299 1.437) 9.464 2.123 ( -0.609 -0.842 4.615) 4.731 2.330 ( -0.332 3.361 0.172) 3.382 2.423 ( -1.843 11.398 3.891) 12.184 2.571 ( 2.440 9.331 2.378) 9.934 2.613 ( -2.445 11.806 -3.906) 12.674 2.683 ( -0.345 23.386 4.018) 23.731 2.940 ( 1.434 11.792 -5.948) 13.284 3.213 ( 2.119 4.654 -0.907) 5.193 3.291 ( -2.093 -2.352 -0.782) 3.244 3.404 ( 0.243 18.009 -1.560) 18.078 3.471 ( -0.010 14.642 2.955) 14.937 4.069 ( -0.338 6.089 0.697) 6.138 4.496 ( -0.336 -7.278 0.477) 7.301 5.339 ( -0.322 19.395 -1.233) 19.437 5.426 ( 0.801 -5.682 3.366) 6.652 5.531 ( -0.486 0.420 -0.405) 0.759 5.599 ( -0.455 7.220 -0.650) 7.264 5.780 ( -0.191 -0.587 -1.343) 1.478 6.010 ( 2.576 5.930 -0.878) 6.525 6.162 ( -2.130 11.327 0.703) 11.547 6.281 ( -1.011 5.734 0.852) 5.885 6.446 ( 1.344 2.013 -1.410) 2.801 6.515 ( 0.295 1.383 4.352) 4.576 6.568 ( -0.043 7.498 -0.390) 7.508 6.724 ( 3.616 0.554 -1.854) 4.101 6.816 ( -2.679 -1.634 -1.200) 3.360 6.887 ( -1.457 3.813 -0.796) 4.159 6.905 ( -0.021 7.921 -1.589) 8.079 7.010 ( -2.515 3.168 1.779) 4.419 7.185 ( 2.503 3.653 -4.594) 6.381 7.410 ( -1.899 0.901 2.315) 3.127 7.782 ( 1.759 0.038 -0.661) 1.879 7.852 ( 1.053 -2.330 -0.914) 2.715 8.030 ( 0.014 -1.628 0.450) 1.689 8.095 ( 1.535 0.364 -0.220) 1.593 8.143 ( -1.505 -0.899 2.192) 2.807 8.224 ( -1.197 -3.534 -0.660) 3.789 8.347 ( 2.728 9.484 0.638) 9.890 8.440 ( 1.657 -4.261 -1.486) 4.807 8.549 ( -3.086 -1.995 0.871) 3.776 8.652 ( -0.860 -3.358 0.318) 3.480 8.889 ( 0.446 -5.479 0.267) 5.504 9.144 ( -0.563 -5.304 -0.312) 5.343 9.237 ( 1.119 2.901 -0.738) 3.195 9.291 ( -1.739 4.736 -0.402) 5.061 9.716 ( -0.961 5.116 -1.926) 5.551 9.931 ( 1.606 2.132 4.230) 5.002 11.179 ( 1.299 -7.106 -0.747) 7.263 11.315 ( -3.105 -9.008 0.671) 9.551 ======================= Grid point 78 (35/91) ======================= q-point: (-0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -0.500 13.669 -5.213) 14.637 0.997 ( -9.634 9.688 1.309) 13.725 1.275 ( 1.209 3.146 -5.846) 6.748 1.369 ( 0.974 12.470 3.028) 12.870 1.418 ( 0.809 5.925 -3.601) 6.981 1.541 ( 0.599 2.894 -4.943) 5.760 1.600 ( 1.424 12.927 0.126) 13.006 1.696 ( 5.125 7.669 2.224) 9.488 1.793 ( -0.217 11.320 -0.350) 11.328 1.837 ( 2.874 8.717 0.758) 9.210 2.031 ( 0.459 14.073 4.706) 14.846 2.093 ( -4.725 3.618 0.987) 6.033 2.319 ( -0.960 0.292 0.043) 1.004 2.436 ( -0.398 10.092 4.292) 10.974 2.534 ( -3.097 6.522 1.335) 7.342 2.590 ( -1.148 15.462 -3.427) 15.879 2.697 ( 0.405 17.421 -0.560) 17.434 2.962 ( 3.068 11.726 0.131) 12.121 3.235 ( -1.017 2.763 -0.812) 3.054 3.261 ( 2.251 -1.128 -1.457) 2.909 3.402 ( 1.366 17.157 -2.048) 17.333 3.508 ( 0.515 15.618 3.392) 15.990 4.049 ( -1.933 5.731 -0.405) 6.062 4.486 ( -1.069 -5.751 0.329) 5.859 5.367 ( 3.014 12.837 0.572) 13.198 5.482 ( -0.038 -8.230 2.437) 8.583 5.533 ( 2.463 6.594 2.085) 7.341 5.615 ( 2.707 9.823 -0.450) 10.199 5.755 ( -0.886 -4.514 -2.563) 5.266 6.023 ( -0.154 7.222 -0.638) 7.252 6.088 ( -4.760 12.470 -1.233) 13.405 6.280 ( 0.038 5.421 0.704) 5.466 6.453 ( 0.201 3.998 -0.787) 4.080 6.521 ( -4.599 2.493 -0.391) 5.246 6.571 ( 1.719 1.254 3.990) 4.522 6.711 ( -2.034 -1.315 -2.580) 3.539 6.780 ( 0.365 0.672 0.151) 0.779 6.871 ( -1.165 0.774 -3.783) 4.033 6.941 ( 6.101 5.409 0.188) 8.155 7.005 ( 0.991 8.254 1.101) 8.386 7.236 ( 5.579 5.648 -2.683) 8.380 7.403 ( -1.203 1.396 2.206) 2.875 7.804 ( 0.704 -0.852 0.604) 1.259 7.854 ( 0.896 -1.955 -2.804) 3.534 8.036 ( 0.132 -2.535 -0.609) 2.611 8.103 ( -1.155 1.688 -0.120) 2.049 8.154 ( 0.767 -1.729 3.600) 4.066 8.198 ( -0.901 -1.022 1.223) 1.831 8.382 ( 0.161 8.106 -0.657) 8.134 8.428 ( -1.451 -1.897 -1.632) 2.892 8.496 ( -2.724 -4.870 0.172) 5.583 8.650 ( 0.558 -3.066 0.145) 3.119 8.904 ( 0.502 -5.564 0.647) 5.624 9.127 ( -0.489 -4.844 -0.648) 4.911 9.226 ( -0.942 2.366 -0.782) 2.664 9.319 ( 4.204 5.016 -0.044) 6.545 9.698 ( 0.841 6.243 -1.595) 6.498 9.990 ( -0.270 -0.849 4.755) 4.838 11.180 ( -0.541 -7.155 -0.727) 7.212 11.275 ( -1.073 -7.008 -0.119) 7.091 ======================= Grid point 79 (36/91) ======================= q-point: (-0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -12.069 14.420 0.391) 18.808 0.919 ( -0.341 16.197 -3.176) 16.509 1.206 ( -0.701 6.471 -7.518) 9.944 1.406 ( 1.703 11.469 1.411) 11.680 1.457 ( 1.763 12.135 2.449) 12.504 1.556 ( 2.290 2.970 -1.511) 4.043 1.612 ( 1.660 13.119 -1.865) 13.354 1.769 ( 2.347 13.502 -0.355) 13.709 1.803 ( 1.768 8.523 -0.552) 8.722 1.886 ( -0.143 6.542 1.992) 6.840 1.997 ( -1.142 14.946 0.208) 14.991 2.125 ( 0.174 3.210 4.516) 5.544 2.288 ( -1.301 1.149 0.116) 1.739 2.418 ( -2.693 4.122 -4.818) 6.889 2.514 ( -2.821 13.566 0.341) 13.860 2.553 ( -0.078 10.732 5.668) 12.138 2.710 ( 1.756 11.881 -1.092) 12.059 3.004 ( 0.605 11.819 0.992) 11.876 3.209 ( 0.156 3.257 -1.730) 3.691 3.300 ( 2.282 -3.019 -0.709) 3.851 3.410 ( 1.598 16.912 -2.322) 17.145 3.534 ( -0.321 17.367 0.961) 17.397 4.013 ( -1.614 5.700 1.199) 6.044 4.470 ( -1.008 -4.770 0.740) 4.931 5.405 ( 1.779 -1.106 -3.033) 3.686 5.496 ( 0.290 -0.249 2.328) 2.360 5.612 ( 0.946 9.469 1.475) 9.629 5.697 ( -0.341 -5.899 -3.793) 7.021 5.716 ( 7.896 7.194 0.907) 10.720 5.973 ( -4.187 16.002 -1.392) 16.599 6.040 ( -0.615 2.819 2.036) 3.531 6.291 ( 0.323 4.448 0.559) 4.495 6.396 ( -6.405 1.585 -0.307) 6.605 6.448 ( 0.096 5.065 -0.718) 5.116 6.654 ( 1.073 -0.981 1.778) 2.297 6.696 ( 0.879 3.897 1.311) 4.204 6.741 ( -2.013 0.518 -0.285) 2.098 6.813 ( -1.299 0.413 -2.898) 3.202 7.042 ( 1.623 7.846 0.406) 8.023 7.099 ( 9.986 5.259 0.075) 11.286 7.283 ( 2.639 8.166 -5.102) 9.984 7.398 ( -1.929 3.578 2.040) 4.548 7.818 ( 0.660 -0.578 -2.770) 2.905 7.848 ( 2.190 -1.790 -0.850) 2.954 8.000 ( -3.907 -1.744 -0.216) 4.284 8.078 ( -0.329 -2.608 -0.795) 2.747 8.170 ( 0.526 -1.171 -0.753) 1.488 8.267 ( 1.113 0.668 7.297) 7.411 8.333 ( -1.745 0.219 -4.130) 4.489 8.387 ( -2.297 2.775 0.577) 3.648 8.464 ( -1.033 -4.011 1.426) 4.380 8.670 ( 0.935 -2.305 0.506) 2.538 8.911 ( 0.013 -5.561 -0.206) 5.565 9.122 ( 0.112 -5.394 0.352) 5.407 9.206 ( -0.591 3.087 -0.251) 3.153 9.407 ( 5.557 0.770 -2.129) 6.000 9.723 ( 3.462 7.165 -1.121) 8.036 9.982 ( -4.616 -1.279 2.008) 5.194 11.158 ( -0.942 -6.209 -0.350) 6.289 11.281 ( 0.677 -7.190 2.172) 7.541 ======================= Grid point 80 (37/91) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 1.295 17.472 -1.140) 17.557 1.237 ( 3.694 14.274 -4.086) 15.300 1.319 ( -0.561 8.181 -1.741) 8.383 1.512 ( 0.019 4.002 -3.303) 5.189 1.704 ( 1.961 7.081 1.380) 7.476 1.844 ( 1.203 10.013 4.505) 11.046 1.858 ( -0.965 9.628 0.154) 9.677 1.929 ( -2.650 5.609 -1.208) 6.320 1.988 ( 0.681 9.543 -3.613) 10.227 2.051 ( 0.909 3.334 -5.201) 6.244 2.094 ( -4.882 6.921 1.265) 8.563 2.176 ( -2.191 4.573 3.015) 5.899 2.343 ( -0.513 2.976 -0.439) 3.052 2.525 ( 3.261 7.197 3.518) 8.649 2.693 ( -1.557 6.854 1.070) 7.110 2.888 ( -0.815 3.636 -7.594) 8.459 2.930 ( 1.991 19.934 6.432) 21.040 3.167 ( 2.266 2.438 0.830) 3.430 3.286 ( -1.838 2.881 0.481) 3.451 3.350 ( 2.251 11.971 1.020) 12.223 3.796 ( 0.299 17.034 -0.585) 17.046 3.896 ( -1.983 18.051 -3.256) 18.449 4.188 ( -0.363 10.358 3.686) 11.000 4.376 ( -0.691 -3.140 1.013) 3.371 5.165 ( -0.317 -13.053 -1.548) 13.148 5.350 ( -0.370 -4.207 -4.239) 5.983 5.593 ( 1.079 -4.024 3.567) 5.485 5.932 ( 1.089 10.126 -0.190) 10.186 6.026 ( -2.570 0.911 -0.313) 2.744 6.088 ( -1.021 13.030 0.682) 13.088 6.118 ( 0.698 5.760 2.342) 6.257 6.408 ( 3.022 4.933 -0.751) 5.834 6.442 ( -1.120 3.843 0.018) 4.003 6.544 ( -0.370 3.009 2.755) 4.096 6.652 ( -0.562 3.724 -0.910) 3.874 6.767 ( -1.060 -0.284 0.258) 1.127 6.842 ( 1.644 4.750 1.369) 5.210 6.850 ( 2.632 5.182 1.203) 5.935 7.209 ( -0.965 10.398 -2.494) 10.736 7.324 ( -0.442 6.164 1.163) 6.288 7.444 ( -1.297 9.618 -3.994) 10.495 7.525 ( 2.206 7.057 -1.252) 7.499 7.721 ( -0.457 -10.258 -1.479) 10.374 7.748 ( -1.214 -4.414 -0.840) 4.654 7.958 ( 1.464 0.937 -0.198) 1.749 7.996 ( -1.293 -2.489 -0.193) 2.811 8.102 ( 0.966 -7.439 -0.426) 7.513 8.175 ( -0.660 -1.556 -0.104) 1.693 8.312 ( 0.636 1.560 -1.760) 2.436 8.482 ( -0.306 0.539 3.195) 3.255 8.552 ( 0.806 7.694 1.086) 7.812 8.647 ( -0.931 0.160 1.267) 1.581 8.764 ( 0.145 -6.554 -0.579) 6.582 9.039 ( 0.246 -2.833 0.223) 2.853 9.235 ( 0.234 -0.609 0.452) 0.794 9.363 ( -0.148 -4.694 -2.361) 5.257 9.899 ( 1.050 5.342 -1.191) 5.573 9.975 ( -2.011 4.951 1.092) 5.454 11.024 ( 0.028 -5.864 -0.151) 5.866 11.156 ( 0.085 -7.230 1.450) 7.374 ======================= Grid point 81 (38/91) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 5.163 15.321 -0.602) 16.179 1.268 ( 2.859 13.285 -3.020) 13.921 1.312 ( 1.449 6.525 -1.843) 6.934 1.489 ( 0.151 4.552 -1.419) 4.771 1.715 ( -2.909 7.613 0.686) 8.178 1.782 ( -3.938 9.446 0.422) 10.243 1.872 ( -4.902 3.448 -9.407) 11.154 1.885 ( -2.256 9.646 1.003) 9.957 1.920 ( 2.292 5.168 2.436) 6.156 1.998 ( 0.957 8.695 -0.974) 8.802 2.131 ( 1.130 11.497 4.051) 12.242 2.187 ( 1.045 6.945 1.618) 7.207 2.340 ( -0.872 2.126 0.935) 2.481 2.592 ( 1.012 4.084 0.965) 4.317 2.711 ( 1.190 9.512 3.970) 10.376 2.807 ( 0.209 -0.043 -8.562) 8.565 3.042 ( 3.120 19.611 6.815) 20.995 3.195 ( -0.488 5.562 1.022) 5.676 3.253 ( -1.629 2.592 -0.793) 3.163 3.382 ( 1.529 12.109 -2.187) 12.400 3.798 ( 0.210 16.921 0.174) 16.923 3.831 ( -1.717 16.976 -1.980) 17.177 4.220 ( 0.551 10.213 2.246) 10.472 4.377 ( -0.598 -2.790 1.697) 3.321 5.151 ( 0.367 -13.425 -1.224) 13.485 5.314 ( 0.188 -4.795 -2.776) 5.544 5.619 ( -1.325 -1.966 1.951) 3.071 5.886 ( -2.678 7.355 -0.413) 7.838 6.000 ( -2.809 12.841 0.957) 13.179 6.112 ( 2.350 8.082 0.480) 8.430 6.184 ( 3.624 0.105 1.501) 3.923 6.419 ( -0.288 4.044 -2.184) 4.605 6.476 ( 3.831 3.613 0.688) 5.311 6.571 ( 0.812 3.514 2.725) 4.520 6.643 ( 0.776 6.326 0.691) 6.411 6.757 ( -0.642 -0.350 -0.001) 0.731 6.879 ( 1.711 5.669 0.607) 5.953 6.899 ( 0.050 1.420 0.385) 1.472 7.160 ( -1.030 12.248 -2.947) 12.640 7.223 ( -8.295 8.760 0.223) 12.067 7.399 ( -1.910 10.219 -2.822) 10.772 7.511 ( -2.359 5.544 -0.128) 6.026 7.697 ( -0.703 -10.732 -0.742) 10.781 7.721 ( 0.170 -5.851 -0.865) 5.917 7.980 ( 0.008 -1.411 -0.525) 1.506 8.000 ( 2.759 -2.498 -0.333) 3.737 8.155 ( 3.931 -2.901 0.441) 4.905 8.160 ( -0.576 -0.326 -0.773) 1.018 8.336 ( 2.607 -0.824 -0.766) 2.840 8.485 ( -0.126 2.953 0.531) 3.003 8.582 ( -1.032 2.422 2.192) 3.426 8.632 ( -1.202 2.230 1.291) 2.843 8.764 ( 0.358 -5.404 -0.647) 5.454 9.045 ( 0.156 -3.276 0.088) 3.281 9.248 ( 0.655 -0.586 0.582) 1.054 9.324 ( -1.448 -4.147 -2.081) 4.860 9.890 ( -0.543 6.357 -1.163) 6.486 9.970 ( 0.016 4.906 1.433) 5.111 11.027 ( 0.459 -6.141 -0.164) 6.160 11.162 ( -0.751 -7.668 1.111) 7.784 ======================= Grid point 82 (39/91) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 4.435 9.892 -0.373) 10.847 1.266 ( 1.647 10.313 -6.287) 12.190 1.339 ( 2.542 6.385 0.134) 6.874 1.464 ( -1.946 4.765 -0.142) 5.149 1.653 ( -3.203 7.146 1.914) 8.062 1.714 ( -2.302 6.212 -8.660) 10.904 1.798 ( 2.420 11.254 2.382) 11.755 1.837 ( -1.674 10.759 -0.164) 10.890 1.999 ( 1.033 3.557 4.332) 5.700 2.008 ( 1.160 13.268 -0.952) 13.352 2.156 ( -1.861 7.575 4.032) 8.781 2.254 ( 1.909 12.453 4.598) 13.411 2.326 ( -0.728 -0.085 0.311) 0.796 2.603 ( -0.337 2.606 0.784) 2.742 2.696 ( -1.831 4.588 -5.446) 7.353 2.812 ( 3.836 5.637 0.042) 6.818 3.147 ( 2.022 15.065 4.380) 15.819 3.164 ( -3.511 11.365 0.108) 11.895 3.215 ( -1.007 1.139 -1.814) 2.366 3.364 ( 0.847 11.499 -5.447) 12.752 3.786 ( -0.290 17.057 -1.099) 17.095 3.836 ( 0.955 17.235 2.928) 17.508 4.237 ( -0.636 10.061 0.953) 10.126 4.385 ( -0.514 -2.621 2.123) 3.412 5.158 ( 1.010 -13.709 -0.035) 13.746 5.312 ( 1.394 -4.713 -0.570) 4.948 5.591 ( -1.903 -1.519 -0.452) 2.476 5.868 ( 0.653 9.686 -0.109) 9.709 5.951 ( -2.716 11.745 0.670) 12.074 6.142 ( -0.179 6.507 1.610) 6.705 6.256 ( 2.148 -1.199 2.780) 3.712 6.397 ( 0.502 4.724 -2.749) 5.488 6.523 ( 0.078 1.742 0.974) 1.997 6.614 ( 1.236 8.672 0.670) 8.785 6.679 ( 0.237 -0.625 -2.326) 2.420 6.758 ( 2.812 6.044 -0.017) 6.666 6.833 ( -3.968 5.521 -3.282) 7.550 6.893 ( -0.504 0.337 -0.815) 1.016 7.070 ( -4.338 8.179 -1.858) 9.443 7.190 ( 1.511 13.905 3.915) 14.524 7.350 ( 0.106 10.837 -1.382) 10.925 7.470 ( -1.850 4.064 0.271) 4.474 7.691 ( 0.087 -10.128 0.506) 10.141 7.729 ( 0.535 -8.041 0.198) 8.061 7.976 ( 0.282 -1.865 -0.657) 1.998 8.045 ( 1.939 -3.736 0.194) 4.214 8.144 ( -0.537 -0.140 -0.685) 0.882 8.217 ( 1.635 2.473 0.758) 3.060 8.364 ( 2.225 -3.936 -2.628) 5.229 8.512 ( 2.004 2.572 1.928) 3.788 8.535 ( -4.102 -0.062 -0.699) 4.161 8.633 ( -1.173 5.263 1.609) 5.627 8.765 ( 0.418 -5.314 -0.470) 5.351 9.044 ( -0.042 -3.292 -0.428) 3.320 9.258 ( -0.086 -0.838 -0.842) 1.191 9.298 ( 0.183 -2.981 0.534) 3.034 9.873 ( -0.073 8.380 -1.037) 8.444 9.990 ( 0.089 3.122 2.369) 3.920 11.035 ( 0.417 -6.672 -0.168) 6.687 11.151 ( -1.053 -6.985 0.248) 7.068 ======================= Grid point 83 (40/91) ======================= q-point: (-0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -5.066 8.862 -1.503) 10.318 1.224 ( 1.690 11.457 -5.334) 12.750 1.374 ( 0.729 5.825 -0.464) 5.888 1.488 ( 4.623 4.568 -2.112) 6.833 1.605 ( 0.851 4.631 -3.154) 5.668 1.683 ( 1.000 14.374 1.661) 14.504 1.844 ( 2.552 10.452 0.123) 10.760 1.880 ( 2.294 7.635 3.968) 8.905 1.984 ( -0.947 10.274 -1.552) 10.434 2.060 ( 0.648 9.029 3.286) 9.630 2.153 ( -1.647 4.959 2.195) 5.668 2.264 ( -3.511 4.978 2.705) 6.665 2.371 ( 1.760 8.505 4.548) 9.804 2.546 ( -3.064 -0.234 -6.408) 7.107 2.667 ( 0.298 5.422 2.676) 6.054 2.869 ( 1.878 11.418 0.081) 11.572 3.073 ( -4.287 13.995 -2.760) 14.895 3.146 ( -0.657 -2.762 -4.358) 5.201 3.235 ( 1.216 12.901 3.564) 13.439 3.333 ( 0.649 8.649 -3.703) 9.431 3.783 ( 0.584 17.266 -0.432) 17.281 3.891 ( 1.593 18.273 3.252) 18.629 4.214 ( -2.456 10.199 0.794) 10.521 4.391 ( -0.828 -2.924 1.506) 3.392 5.177 ( 0.604 -13.573 0.396) 13.592 5.349 ( 2.322 -3.862 0.750) 4.568 5.554 ( -0.916 -4.070 -1.801) 4.544 5.876 ( -0.389 9.838 0.365) 9.853 5.951 ( 2.334 11.538 0.777) 11.797 6.137 ( -2.096 6.592 2.174) 7.250 6.306 ( -1.751 2.948 3.947) 5.228 6.382 ( 0.619 5.472 -3.169) 6.354 6.498 ( -1.605 0.546 -0.920) 1.929 6.560 ( -5.043 0.643 -2.743) 5.777 6.648 ( 0.480 7.000 0.114) 7.017 6.749 ( -1.599 5.155 -0.585) 5.429 6.833 ( 2.612 4.923 -2.369) 6.055 6.861 ( -0.963 1.402 -2.447) 2.980 7.070 ( 5.698 7.020 -0.245) 9.044 7.244 ( 0.004 14.333 3.073) 14.659 7.402 ( 5.758 10.098 -0.420) 11.632 7.458 ( -0.023 2.914 1.003) 3.082 7.703 ( 0.751 -9.641 0.250) 9.673 7.739 ( 0.197 -8.098 0.528) 8.118 7.977 ( 0.270 -1.837 -0.629) 1.960 8.057 ( -0.958 -4.195 -0.376) 4.319 8.128 ( -0.399 -0.728 -0.855) 1.192 8.234 ( -0.551 2.682 2.285) 3.566 8.378 ( 1.916 -2.843 -2.596) 4.300 8.438 ( -4.871 0.623 -1.332) 5.088 8.577 ( 2.493 0.195 2.263) 3.372 8.609 ( -2.234 7.283 0.181) 7.620 8.769 ( 0.232 -6.382 -0.184) 6.389 9.038 ( -0.044 -2.782 -0.588) 2.844 9.242 ( -0.502 -1.054 -0.623) 1.323 9.329 ( 1.966 -2.735 0.640) 3.429 9.870 ( 0.787 8.847 -0.937) 8.931 10.009 ( -0.781 1.902 2.619) 3.330 11.036 ( -0.179 -6.678 -0.142) 6.682 11.138 ( -0.322 -6.212 -0.039) 6.220 ======================= Grid point 84 (41/91) ======================= q-point: (-0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -3.708 14.156 -1.734) 14.736 1.219 ( 2.863 13.010 -4.925) 14.203 1.356 ( -1.281 7.628 -1.670) 7.913 1.524 ( 2.437 2.952 -3.561) 5.228 1.642 ( 4.023 6.176 -1.043) 7.444 1.755 ( 2.464 14.499 5.916) 15.852 1.887 ( -0.790 12.078 -1.417) 12.187 1.930 ( 3.734 4.560 0.220) 5.898 1.975 ( 0.245 7.313 0.692) 7.350 2.069 ( -1.068 7.180 -0.642) 7.287 2.150 ( -1.455 7.350 2.566) 7.920 2.217 ( -3.896 1.563 2.172) 4.726 2.401 ( -3.557 5.263 -0.679) 6.388 2.457 ( 1.143 5.525 -0.634) 5.677 2.702 ( -0.189 3.637 2.477) 4.404 2.877 ( -0.982 19.853 2.480) 20.032 2.977 ( -1.991 9.760 -6.070) 11.664 3.123 ( 1.983 -3.286 -1.559) 4.142 3.287 ( 1.299 10.679 2.560) 11.058 3.317 ( -0.153 6.853 -0.773) 6.898 3.792 ( 0.759 17.436 -0.575) 17.462 3.930 ( 0.423 18.585 -0.050) 18.590 4.181 ( -2.374 10.468 2.667) 11.060 4.384 ( -1.023 -3.324 0.842) 3.578 5.181 ( -0.155 -13.116 -0.551) 13.129 5.382 ( 1.006 -2.719 -2.132) 3.598 5.544 ( 0.866 -6.379 1.104) 6.532 5.887 ( 2.185 7.966 -0.585) 8.280 6.014 ( 2.729 10.524 1.720) 11.007 6.114 ( -2.604 8.579 2.090) 9.206 6.202 ( -8.723 5.710 -0.425) 10.434 6.381 ( 1.598 4.367 -1.867) 5.011 6.470 ( -2.688 4.436 0.711) 5.236 6.519 ( 0.978 0.161 1.544) 1.834 6.663 ( 0.273 3.116 -0.224) 3.136 6.750 ( 2.057 1.170 0.757) 2.485 6.821 ( -0.679 5.678 -1.863) 6.014 6.837 ( -0.042 4.793 -0.677) 4.840 7.200 ( 6.256 5.595 -0.864) 8.437 7.263 ( 1.428 13.594 0.997) 13.705 7.478 ( 2.018 3.234 0.510) 3.846 7.485 ( 2.843 10.624 -3.094) 11.425 7.721 ( 1.235 -9.752 -0.499) 9.843 7.750 ( 0.487 -6.506 0.745) 6.566 7.963 ( -0.970 -0.955 -0.917) 1.642 8.023 ( -1.507 -2.628 -0.376) 3.052 8.114 ( -0.719 -3.570 -0.180) 3.647 8.215 ( -3.665 -2.427 0.620) 4.439 8.341 ( -0.502 1.780 -4.464) 4.832 8.427 ( 0.905 0.281 4.704) 4.799 8.566 ( -1.672 7.807 -1.015) 8.048 8.631 ( 1.063 0.216 2.049) 2.318 8.768 ( -0.030 -6.998 -0.324) 7.005 9.035 ( 0.135 -2.538 -0.181) 2.548 9.233 ( -0.184 -0.738 -0.006) 0.760 9.364 ( 1.698 -3.948 -0.948) 4.401 9.883 ( 1.508 7.549 -0.993) 7.762 10.004 ( -2.079 2.402 1.809) 3.655 11.028 ( -0.343 -6.129 -0.128) 6.140 11.141 ( 0.278 -6.359 0.690) 6.402 ======================= Grid point 85 (42/91) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 1.545 10.716 -0.983) 10.871 1.424 ( -0.477 3.403 0.521) 3.475 1.492 ( 1.840 9.285 -2.917) 9.905 1.606 ( 0.327 5.494 -1.409) 5.682 1.797 ( 3.525 2.766 -1.375) 4.687 1.896 ( -1.896 0.626 1.113) 2.286 1.945 ( -2.473 -1.413 -2.630) 3.877 2.106 ( 2.446 4.368 0.167) 5.008 2.135 ( -5.169 0.925 0.019) 5.251 2.163 ( -0.172 9.440 -1.576) 9.572 2.257 ( 0.737 13.899 0.052) 13.918 2.284 ( -0.983 5.544 3.095) 6.425 2.467 ( 0.230 8.670 1.764) 8.851 2.650 ( 0.524 3.524 5.281) 6.371 2.742 ( -0.085 -0.117 0.453) 0.475 2.836 ( 0.222 -3.877 -12.456) 13.047 3.259 ( 1.528 4.144 5.682) 7.196 3.337 ( 3.651 15.824 2.763) 16.473 3.380 ( -4.277 7.610 -0.897) 8.776 3.534 ( 1.602 4.753 0.696) 5.064 4.060 ( -0.044 9.239 -0.458) 9.251 4.218 ( -2.196 13.912 -3.391) 14.486 4.349 ( 0.040 0.114 2.264) 2.267 4.419 ( -0.789 11.491 3.657) 12.085 5.003 ( -0.484 -2.063 -1.898) 2.845 5.296 ( -1.290 -1.505 -4.150) 4.599 5.516 ( 2.493 -3.703 4.574) 6.391 5.989 ( -5.153 -1.806 0.294) 5.468 6.006 ( 4.097 -1.149 0.517) 4.287 6.259 ( -0.564 6.795 -0.995) 6.891 6.351 ( -0.241 9.331 -0.654) 9.357 6.457 ( 1.159 1.729 -1.393) 2.505 6.519 ( -0.607 4.187 1.860) 4.621 6.590 ( -0.377 1.064 5.473) 5.588 6.673 ( -0.294 -6.492 -0.054) 6.499 6.754 ( 1.810 6.077 -2.593) 6.851 6.891 ( -0.318 4.088 -1.604) 4.403 7.106 ( 1.150 13.194 1.716) 13.355 7.358 ( 1.164 -0.143 2.112) 2.416 7.452 ( -0.310 0.164 -0.810) 0.883 7.493 ( 0.392 -5.994 -2.485) 6.500 7.555 ( 1.246 -0.692 -0.949) 1.712 7.611 ( -3.226 9.462 -2.959) 10.425 7.802 ( -0.764 6.836 -0.108) 6.880 7.935 ( 0.476 -2.387 -1.676) 2.955 7.987 ( 2.711 -2.099 0.858) 3.534 8.020 ( -1.349 2.202 1.575) 3.025 8.133 ( -0.123 -2.551 0.555) 2.614 8.339 ( -0.215 1.378 -3.194) 3.485 8.471 ( -0.019 -1.433 1.715) 2.235 8.619 ( 0.306 2.281 1.075) 2.540 8.678 ( -0.167 -0.672 0.340) 0.771 8.781 ( 0.021 8.832 1.132) 8.905 9.023 ( 0.277 0.950 -0.327) 1.042 9.195 ( -0.001 -2.820 0.357) 2.842 9.260 ( -0.366 -5.287 -1.529) 5.516 9.986 ( 0.007 2.626 -0.761) 2.734 10.045 ( -0.417 1.541 0.877) 1.822 10.923 ( 0.003 -3.811 -0.032) 3.811 11.035 ( -0.018 -4.744 0.511) 4.771 ======================= Grid point 86 (43/91) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 1.484 9.191 -1.439) 9.421 1.414 ( -0.884 3.535 0.562) 3.687 1.496 ( 1.292 9.323 -1.908) 9.604 1.600 ( 0.513 6.300 -2.273) 6.717 1.823 ( -1.909 1.512 -1.092) 2.669 1.856 ( -2.452 0.431 -1.866) 3.111 1.899 ( 2.145 2.120 1.012) 3.181 2.056 ( -2.587 7.542 -0.124) 7.974 2.087 ( -1.630 9.408 -0.635) 9.569 2.225 ( 4.299 0.534 0.074) 4.332 2.272 ( 0.621 6.371 1.366) 6.546 2.316 ( 0.266 11.792 3.490) 12.300 2.476 ( -1.208 10.075 2.145) 10.371 2.690 ( 0.836 3.863 -0.816) 4.036 2.734 ( 0.101 -3.118 -10.548) 10.999 2.770 ( 0.840 -2.509 5.883) 6.451 3.292 ( -2.169 7.171 1.323) 7.608 3.333 ( -0.095 4.857 0.598) 4.894 3.421 ( 2.818 12.312 0.301) 12.634 3.559 ( 0.877 4.050 0.527) 4.177 4.072 ( 0.814 10.401 1.578) 10.551 4.142 ( -1.929 14.283 -3.084) 14.739 4.375 ( -0.260 1.343 3.102) 3.390 4.442 ( 0.309 10.829 1.670) 10.961 4.981 ( 0.124 -2.314 -1.497) 2.759 5.252 ( -0.507 -1.364 -1.897) 2.391 5.565 ( -0.559 -3.303 1.818) 3.812 5.942 ( -0.552 -0.527 1.487) 1.671 6.073 ( 2.278 -1.297 -0.041) 2.622 6.241 ( -0.652 3.730 -0.918) 3.896 6.308 ( -3.893 7.144 0.070) 8.136 6.443 ( 0.737 0.991 -3.387) 3.605 6.552 ( 1.832 3.959 1.319) 4.558 6.635 ( -0.428 1.900 6.381) 6.671 6.693 ( 1.721 -3.844 -0.479) 4.239 6.789 ( 4.741 7.131 -1.559) 8.704 6.874 ( -0.037 2.361 -0.935) 2.540 7.136 ( -0.171 10.967 1.146) 11.028 7.351 ( -3.179 2.343 -1.035) 4.083 7.433 ( -0.074 -1.551 -2.412) 2.868 7.471 ( -1.517 2.455 -0.522) 2.932 7.521 ( -1.966 2.685 -0.948) 3.460 7.577 ( 0.748 2.440 0.602) 2.622 7.710 ( -6.273 5.267 0.024) 8.191 7.924 ( 0.363 -1.755 -1.685) 2.460 8.007 ( 0.230 1.326 0.396) 1.402 8.110 ( 3.630 -1.021 1.033) 3.910 8.156 ( 3.831 -1.797 0.049) 4.231 8.313 ( -0.390 -0.060 -1.777) 1.820 8.473 ( -0.559 -2.215 0.264) 2.300 8.621 ( -1.629 3.128 1.514) 3.838 8.682 ( 0.431 -0.346 0.087) 0.559 8.801 ( 0.903 8.629 0.937) 8.726 9.024 ( 0.195 0.961 -0.449) 1.079 9.202 ( 0.195 -3.877 0.647) 3.935 9.233 ( -0.816 -4.251 -1.441) 4.562 9.986 ( 0.672 2.583 -0.616) 2.739 10.043 ( -0.588 1.962 0.857) 2.220 10.923 ( -0.000 -3.890 -0.034) 3.890 11.037 ( -0.236 -4.822 0.420) 4.846 ======================= Grid point 87 (44/91) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.789 6.165 -2.033) 6.539 1.407 ( -0.359 4.728 0.206) 4.746 1.511 ( 1.748 8.857 -1.968) 9.240 1.576 ( -0.508 6.156 -1.198) 6.292 1.750 ( -1.877 3.147 -4.329) 5.671 1.830 ( 0.476 3.696 0.052) 3.727 1.974 ( 2.053 1.206 3.614) 4.328 2.026 ( -0.706 8.594 -0.443) 8.634 2.082 ( -0.136 10.058 3.355) 10.603 2.264 ( 0.049 5.252 0.065) 5.252 2.301 ( -0.403 1.753 3.326) 3.781 2.349 ( 1.167 9.437 0.047) 9.509 2.478 ( -0.769 10.289 3.670) 10.951 2.637 ( -0.977 -2.300 -9.052) 9.390 2.692 ( 0.937 2.487 -0.892) 2.803 2.859 ( 2.705 -2.071 5.254) 6.261 3.265 ( -1.720 6.013 1.216) 6.371 3.298 ( -1.975 5.405 -5.485) 7.950 3.450 ( 1.435 7.807 -0.602) 7.960 3.581 ( 0.236 8.364 0.791) 8.405 4.066 ( -0.704 10.549 -1.831) 10.730 4.154 ( 1.746 14.949 4.228) 15.633 4.386 ( -1.180 1.287 1.656) 2.406 4.451 ( -0.675 10.234 0.891) 10.295 4.986 ( 1.074 -2.352 0.059) 2.586 5.246 ( 0.806 -1.532 0.435) 1.785 5.539 ( -1.917 -3.306 -1.614) 4.148 5.991 ( 3.254 0.703 2.416) 4.113 6.060 ( -3.578 2.724 0.078) 4.497 6.231 ( 0.281 -0.155 0.677) 0.749 6.262 ( -0.850 2.492 1.250) 2.914 6.430 ( 1.781 0.934 -4.521) 4.948 6.577 ( -0.732 3.282 1.540) 3.698 6.648 ( -3.142 -0.626 -1.859) 3.704 6.726 ( 2.421 2.465 4.988) 6.068 6.858 ( -0.099 1.626 -1.944) 2.537 6.927 ( 9.749 9.332 -0.842) 13.522 7.071 ( -7.009 9.756 -1.966) 12.173 7.249 ( -4.003 5.946 -2.372) 7.550 7.407 ( -0.005 -5.558 -2.517) 6.102 7.489 ( 2.150 10.754 2.966) 11.361 7.515 ( 0.673 -2.481 0.465) 2.612 7.574 ( -0.791 3.973 -1.638) 4.369 7.636 ( -2.762 3.838 2.568) 5.380 7.925 ( 0.985 -2.395 -0.837) 2.721 8.014 ( 0.215 0.634 0.209) 0.701 8.124 ( -0.341 -1.758 -0.616) 1.894 8.255 ( 3.905 -4.120 -0.181) 5.679 8.288 ( -0.310 2.010 0.007) 2.033 8.466 ( -0.313 -2.805 0.130) 2.826 8.595 ( -1.998 4.141 0.753) 4.659 8.689 ( 0.305 -0.401 -0.454) 0.678 8.817 ( -0.048 8.865 0.225) 8.868 9.023 ( 0.251 0.908 -0.626) 1.132 9.205 ( -0.382 -4.553 -0.340) 4.581 9.223 ( 0.490 -3.496 0.773) 3.614 9.997 ( 0.967 3.040 -0.423) 3.218 10.039 ( -0.829 1.543 1.058) 2.046 10.923 ( 0.019 -4.104 -0.020) 4.104 11.034 ( -0.322 -4.565 0.143) 4.579 ======================= Grid point 88 (45/91) ======================= q-point: (-0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.267 6.464 -1.881) 6.737 1.407 ( 0.400 5.847 -0.195) 5.864 1.493 ( -0.212 6.858 -2.318) 7.243 1.598 ( 2.746 5.618 -1.458) 6.421 1.712 ( 1.949 5.478 -2.763) 6.437 1.852 ( 1.642 2.273 -0.111) 2.807 2.010 ( -0.851 2.598 2.108) 3.452 2.028 ( 0.171 4.757 1.860) 5.111 2.129 ( 0.615 11.384 4.517) 12.263 2.246 ( -1.416 6.133 -0.763) 6.341 2.316 ( -1.207 5.251 3.696) 6.534 2.335 ( -2.118 6.909 -0.958) 7.289 2.519 ( 1.734 2.371 -4.102) 5.045 2.544 ( -2.723 3.662 2.635) 5.269 2.711 ( 1.500 2.161 -0.273) 2.645 2.952 ( 3.833 -3.459 1.116) 5.282 3.183 ( -2.671 5.391 -6.759) 9.049 3.260 ( -1.122 7.973 2.302) 8.374 3.470 ( 0.830 6.477 0.511) 6.550 3.560 ( -2.108 11.993 -1.931) 12.329 4.055 ( 0.312 9.547 -0.041) 9.553 4.225 ( 1.517 14.918 3.621) 15.426 4.363 ( -1.584 0.297 -0.518) 1.693 4.439 ( -2.320 10.250 2.437) 10.788 5.010 ( 0.957 -2.123 0.512) 2.384 5.291 ( 2.429 -1.744 2.805) 4.100 5.479 ( -1.523 -3.347 -4.497) 5.809 5.972 ( -4.187 -0.267 1.380) 4.417 6.092 ( 2.978 4.682 1.227) 5.683 6.244 ( 1.193 1.297 1.130) 2.093 6.309 ( 1.554 -0.836 3.806) 4.195 6.424 ( 2.023 -0.008 -4.543) 4.973 6.528 ( -3.234 2.420 -2.078) 4.543 6.596 ( -2.027 3.882 1.741) 4.713 6.777 ( -2.333 3.535 1.877) 4.633 6.826 ( -1.322 2.873 -2.944) 4.321 6.920 ( -4.540 8.065 -0.497) 9.269 7.060 ( 4.462 11.438 -2.701) 12.571 7.217 ( 3.886 5.377 -2.304) 7.023 7.405 ( 1.421 -6.877 0.114) 7.023 7.517 ( -1.002 0.708 -0.297) 1.263 7.543 ( 1.478 3.862 0.700) 4.194 7.591 ( 2.183 4.111 2.240) 5.166 7.634 ( 1.297 4.164 0.865) 4.446 7.937 ( 1.029 -1.695 -0.818) 2.145 8.011 ( -0.972 -0.405 -0.132) 1.062 8.105 ( -0.865 -1.246 -0.747) 1.691 8.229 ( -2.849 -3.547 -0.692) 4.602 8.354 ( 2.857 1.395 2.241) 3.890 8.449 ( -1.365 -0.855 -1.186) 2.000 8.580 ( 0.077 3.351 0.496) 3.388 8.684 ( -0.067 -1.013 -0.682) 1.223 8.804 ( -1.348 9.049 0.156) 9.150 9.023 ( 0.330 0.951 -0.680) 1.215 9.197 ( -0.233 -2.959 -0.026) 2.969 9.246 ( 1.057 -4.973 0.807) 5.147 10.006 ( 0.374 3.960 -0.691) 4.037 10.036 ( -0.670 0.270 1.453) 1.623 10.923 ( 0.026 -4.151 -0.012) 4.151 11.030 ( -0.160 -4.342 0.053) 4.346 ======================= Grid point 89 (46/91) ======================= q-point: (-0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.476 9.724 -1.573) 9.862 1.417 ( 0.671 5.174 0.173) 5.220 1.485 ( 1.407 6.649 -2.305) 7.177 1.612 ( 0.789 5.565 -1.689) 5.869 1.752 ( 3.803 4.348 -2.353) 6.238 1.886 ( 1.964 0.408 0.078) 2.008 1.999 ( -2.370 -0.812 0.845) 2.643 2.049 ( 1.403 3.183 1.074) 3.640 2.174 ( -0.217 14.409 3.321) 14.788 2.207 ( -2.387 4.366 0.502) 5.001 2.274 ( -3.240 7.697 -0.538) 8.368 2.311 ( -1.884 4.788 -0.197) 5.149 2.458 ( -0.343 5.073 -2.148) 5.520 2.596 ( -0.375 3.911 6.705) 7.771 2.733 ( 1.169 1.342 -0.407) 1.826 2.949 ( 0.974 -4.732 -12.422) 13.329 3.163 ( 1.513 4.818 6.103) 7.922 3.274 ( 0.351 13.407 2.807) 13.702 3.478 ( -3.729 10.723 -3.476) 11.874 3.496 ( 0.945 6.117 1.850) 6.460 4.064 ( 0.383 9.238 -0.202) 9.248 4.257 ( 0.135 13.430 -0.541) 13.441 4.341 ( -0.736 0.321 0.906) 1.211 4.417 ( -2.836 11.002 3.689) 11.945 5.021 ( 0.087 -1.961 -0.628) 2.061 5.352 ( 0.334 -0.737 -1.264) 1.500 5.432 ( 1.501 -4.687 0.317) 4.932 5.949 ( 0.554 -0.315 1.304) 1.451 6.085 ( -4.291 -0.030 0.376) 4.307 6.285 ( -0.415 4.273 -0.535) 4.326 6.330 ( 1.564 5.284 0.321) 5.520 6.432 ( 2.262 1.658 -1.673) 3.266 6.511 ( 0.262 1.487 2.350) 2.793 6.572 ( -2.263 5.027 2.243) 5.952 6.708 ( -3.678 -2.440 -0.043) 4.414 6.770 ( -0.521 5.349 -2.977) 6.144 6.904 ( 0.218 5.927 -0.650) 5.967 7.079 ( 1.106 13.115 -0.498) 13.171 7.294 ( 4.083 1.054 0.511) 4.247 7.447 ( 1.659 -2.745 0.314) 3.223 7.502 ( 0.731 -3.760 -2.086) 4.361 7.553 ( 0.285 2.339 -1.442) 2.763 7.642 ( 0.822 3.834 1.620) 4.243 7.712 ( 6.442 6.688 0.184) 9.287 7.942 ( 0.634 -1.923 -1.546) 2.548 7.982 ( -1.578 -0.690 0.126) 1.727 8.076 ( -2.912 0.473 0.395) 2.977 8.160 ( -3.823 -3.228 0.301) 5.013 8.378 ( -0.249 1.630 -3.409) 3.787 8.440 ( 0.638 0.099 2.871) 2.942 8.599 ( 1.029 1.843 0.529) 2.176 8.679 ( -0.024 -0.944 -0.217) 0.969 8.783 ( -1.202 8.991 0.836) 9.109 9.022 ( 0.271 0.960 -0.517) 1.123 9.194 ( -0.146 -2.526 0.177) 2.537 9.266 ( 0.684 -5.464 -0.371) 5.519 9.997 ( -0.368 3.252 -0.754) 3.358 10.041 ( -0.269 0.714 1.201) 1.423 10.923 ( 0.014 -3.966 -0.022) 3.966 11.030 ( 0.020 -4.451 0.278) 4.459 ======================= Grid point 90 (47/91) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.002 0.704 0.753) 1.031 1.465 ( 0.043 1.597 -0.216) 1.612 1.665 ( 0.690 7.436 -1.127) 7.553 1.708 ( 0.989 4.084 -0.958) 4.310 1.822 ( 1.863 -0.438 -2.184) 2.904 1.895 ( -0.516 -1.972 -1.280) 2.407 1.920 ( -0.709 1.280 0.879) 1.707 2.073 ( 1.346 -3.268 -0.017) 3.534 2.163 ( -2.243 0.806 1.102) 2.626 2.335 ( 0.526 1.188 -0.507) 1.394 2.389 ( -2.054 9.597 -3.289) 10.351 2.538 ( 1.727 10.780 2.982) 11.318 2.603 ( 0.133 1.139 5.946) 6.055 2.674 ( -0.190 3.913 0.077) 3.918 2.718 ( -0.588 -0.745 -4.978) 5.068 2.831 ( 0.102 1.166 -4.151) 4.313 3.297 ( 2.595 1.033 7.368) 7.880 3.490 ( -1.113 0.502 -3.009) 3.247 3.572 ( 1.696 5.652 -3.591) 6.908 3.616 ( -3.151 7.559 3.923) 9.081 4.192 ( 0.491 4.217 0.948) 4.350 4.345 ( 0.957 -0.908 2.869) 3.157 4.476 ( -1.738 11.470 -2.954) 11.971 4.623 ( -0.948 7.849 2.050) 8.167 5.083 ( -1.118 9.422 -0.440) 9.498 5.281 ( -0.903 0.089 -2.764) 2.909 5.436 ( 2.318 -4.086 3.895) 6.102 5.929 ( -2.262 -5.111 0.959) 5.671 5.983 ( 1.169 0.083 -1.434) 1.851 6.314 ( -1.388 -1.780 -0.913) 2.435 6.375 ( -0.500 -6.336 0.179) 6.358 6.519 ( 3.671 1.399 1.491) 4.202 6.586 ( -0.050 4.020 0.963) 4.134 6.632 ( -3.805 3.972 0.809) 5.560 6.636 ( 0.729 3.848 1.007) 4.044 6.872 ( 2.922 5.251 -4.753) 7.661 6.995 ( -1.664 5.282 -0.237) 5.543 7.165 ( -1.418 -9.005 -3.074) 9.620 7.341 ( 1.839 4.968 2.298) 5.775 7.406 ( 0.120 -0.753 -1.913) 2.059 7.463 ( 1.364 -3.889 -1.008) 4.243 7.580 ( 1.969 4.095 2.876) 5.378 7.807 ( -2.511 4.062 -2.041) 5.193 7.852 ( -0.601 1.903 -0.528) 2.064 7.923 ( 1.297 3.073 0.376) 3.357 8.012 ( 3.319 0.684 1.556) 3.729 8.065 ( -2.629 1.806 0.827) 3.295 8.097 ( -0.356 0.569 0.551) 0.868 8.373 ( -0.566 1.812 -2.475) 3.119 8.438 ( -0.132 -1.421 0.128) 1.433 8.700 ( 0.910 5.431 -0.021) 5.507 8.732 ( -0.782 5.488 1.124) 5.657 8.937 ( 0.164 5.752 0.927) 5.828 9.046 ( -0.013 -0.378 0.002) 0.378 9.136 ( -0.105 -2.171 -0.871) 2.341 9.164 ( -0.210 -3.440 -0.064) 3.447 9.998 ( -0.236 -1.092 -0.385) 1.182 10.035 ( 0.157 -2.163 0.586) 2.247 10.875 ( -0.002 -0.972 0.069) 0.975 10.958 ( -0.054 -2.941 0.279) 2.955 ======================= Grid point 91 (48/91) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -0.155 1.313 -0.084) 1.324 1.464 ( -0.072 1.309 0.369) 1.362 1.666 ( 0.512 6.481 -0.331) 6.510 1.713 ( 0.485 4.761 -1.980) 5.179 1.810 ( 0.250 0.026 -3.130) 3.140 1.907 ( -0.283 1.151 0.951) 1.520 1.913 ( 1.690 0.621 -0.286) 1.823 2.101 ( 0.844 -1.784 0.437) 2.022 2.159 ( 0.550 -1.186 1.739) 2.176 2.332 ( -0.486 5.564 -3.075) 6.376 2.342 ( -0.194 5.985 0.852) 6.048 2.588 ( 1.288 11.474 1.365) 11.626 2.627 ( -0.368 -3.686 -5.585) 6.702 2.662 ( -0.216 5.191 4.335) 6.767 2.703 ( -0.286 -0.826 2.999) 3.123 2.797 ( -0.437 3.342 -2.210) 4.030 3.399 ( 1.959 1.896 3.674) 4.575 3.431 ( -2.009 5.285 -1.552) 5.863 3.531 ( -0.577 0.373 -5.791) 5.831 3.639 ( 0.395 4.277 4.695) 6.363 4.224 ( 0.776 4.917 1.567) 5.219 4.376 ( 0.017 0.953 1.002) 1.383 4.435 ( -0.544 11.463 0.267) 11.479 4.627 ( 0.142 6.828 0.191) 6.832 5.060 ( -0.840 9.388 -0.061) 9.425 5.255 ( -0.292 1.750 -0.996) 2.034 5.479 ( -0.588 -5.107 1.473) 5.347 5.900 ( -0.565 -3.751 1.880) 4.233 6.038 ( 4.565 -1.867 -1.598) 5.184 6.264 ( -2.758 -4.719 -0.463) 5.485 6.310 ( -5.565 -0.360 0.315) 5.585 6.543 ( 0.876 5.167 -4.926) 7.192 6.619 ( 1.556 2.702 2.540) 4.021 6.640 ( 0.390 -0.729 4.914) 4.983 6.668 ( 1.106 1.859 0.742) 2.287 6.895 ( 3.036 4.441 -1.993) 5.737 6.995 ( 2.160 6.146 0.447) 6.529 7.099 ( -0.602 -8.556 -5.024) 9.940 7.365 ( -1.026 -4.454 1.371) 4.772 7.407 ( 0.446 6.407 -2.095) 6.755 7.483 ( 1.619 -1.479 -1.427) 2.616 7.642 ( 1.439 4.158 2.469) 5.045 7.699 ( -5.318 4.981 0.323) 7.294 7.801 ( -3.446 5.864 -0.492) 6.819 7.949 ( 0.565 2.833 -0.981) 3.051 8.047 ( -0.211 1.787 0.844) 1.987 8.073 ( 0.020 -3.097 -0.088) 3.098 8.124 ( 3.519 0.712 1.476) 3.882 8.344 ( -0.330 2.287 -1.637) 2.832 8.430 ( -0.474 -1.700 -0.250) 1.783 8.716 ( 0.077 5.880 0.102) 5.882 8.725 ( -0.344 4.695 0.862) 4.786 8.957 ( 0.985 5.796 0.801) 5.933 9.049 ( 0.320 -0.647 -0.064) 0.725 9.121 ( -0.601 -2.087 -0.806) 2.317 9.156 ( -0.598 -3.345 0.102) 3.400 9.996 ( 0.193 -1.142 -0.137) 1.166 10.041 ( 0.020 -1.961 0.331) 1.989 10.874 ( -0.118 -0.939 0.055) 0.948 10.960 ( -0.060 -2.959 0.247) 2.970 ======================= Grid point 92 (49/91) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.311 1.978 -0.688) 2.117 1.470 ( 0.019 1.488 0.735) 1.660 1.677 ( 1.049 4.991 -0.457) 5.121 1.687 ( -0.803 6.607 -2.385) 7.070 1.799 ( 1.526 2.366 -2.831) 3.992 1.889 ( -1.404 2.346 0.103) 2.736 1.962 ( 2.336 -1.511 0.119) 2.785 2.111 ( -0.391 0.184 0.718) 0.838 2.196 ( 0.738 -3.400 2.784) 4.455 2.309 ( 0.584 4.165 -1.916) 4.622 2.356 ( 0.203 6.758 2.256) 7.127 2.563 ( -0.726 1.844 -4.361) 4.791 2.612 ( 0.739 7.924 -1.742) 8.147 2.681 ( -1.526 7.424 3.038) 8.166 2.725 ( -0.247 -3.150 2.113) 3.801 2.798 ( 1.487 0.059 1.023) 1.806 3.372 ( -2.616 2.212 -6.939) 7.739 3.409 ( -0.123 6.646 1.171) 6.750 3.509 ( 1.139 0.673 -0.360) 1.371 3.702 ( 0.738 3.133 5.620) 6.476 4.218 ( -0.776 4.944 -1.863) 5.340 4.382 ( -0.680 -0.277 0.514) 0.896 4.454 ( 0.832 12.341 2.902) 12.705 4.630 ( -0.154 7.027 0.504) 7.047 5.060 ( 0.219 8.659 1.325) 8.763 5.252 ( 0.423 2.163 0.222) 2.215 5.454 ( -1.689 -5.066 -1.163) 5.465 5.927 ( -0.312 -5.878 2.839) 6.535 6.100 ( 4.032 -0.387 -1.630) 4.367 6.216 ( -2.204 -3.624 0.945) 4.345 6.241 ( -2.136 1.177 1.102) 2.676 6.498 ( 0.027 3.345 -6.104) 6.961 6.631 ( -1.490 2.022 -0.133) 2.515 6.656 ( -0.270 0.866 -0.411) 0.996 6.746 ( 2.323 0.733 8.744) 9.077 6.924 ( 0.246 4.056 -0.161) 4.067 7.039 ( 0.707 -8.496 -0.147) 8.527 7.118 ( 8.232 6.791 -3.555) 11.248 7.309 ( -6.674 5.056 -4.038) 9.296 7.362 ( -0.263 -4.034 0.533) 4.078 7.487 ( 0.634 2.448 -2.001) 3.225 7.650 ( -0.767 3.602 -2.162) 4.270 7.674 ( -0.333 1.318 0.698) 1.528 7.749 ( -1.800 8.507 2.056) 8.935 7.949 ( 0.913 3.945 -0.285) 4.059 8.048 ( -0.766 2.148 -0.609) 2.360 8.067 ( -0.139 -3.380 0.749) 3.465 8.178 ( 0.892 -1.957 0.391) 2.186 8.345 ( 1.197 2.438 0.712) 2.808 8.424 ( -0.138 -1.417 0.247) 1.445 8.703 ( -1.041 6.527 0.374) 6.620 8.734 ( 0.313 4.636 -0.291) 4.655 8.974 ( 0.152 5.799 -0.055) 5.801 9.053 ( 0.261 0.377 -0.256) 0.525 9.112 ( 0.163 -3.109 0.355) 3.133 9.147 ( -0.460 -3.732 0.187) 3.765 10.001 ( 0.325 -1.601 0.288) 1.659 10.041 ( -0.245 -1.700 -0.131) 1.723 10.872 ( -0.095 -0.923 0.015) 0.928 10.960 ( -0.119 -2.895 0.144) 2.901 ======================= Grid point 93 (50/91) ======================= q-point: (-0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.046 2.195 -0.191) 2.204 1.473 ( -0.202 1.367 0.119) 1.387 1.656 ( -0.172 7.978 -1.666) 8.152 1.697 ( 1.707 4.346 -1.060) 4.788 1.802 ( 1.480 2.881 -2.790) 4.274 1.870 ( -0.277 0.599 -0.083) 0.665 1.982 ( -0.680 -2.088 0.695) 2.303 2.098 ( -1.081 0.242 -0.425) 1.187 2.220 ( -1.347 -3.956 2.892) 5.082 2.315 ( 1.338 1.124 -0.975) 2.001 2.396 ( 1.261 9.103 3.456) 9.818 2.518 ( -0.752 5.064 -2.542) 5.716 2.587 ( -1.142 6.829 -2.103) 7.236 2.674 ( -1.459 6.184 2.119) 6.698 2.747 ( 0.936 0.264 0.823) 1.274 2.844 ( 2.724 -5.092 -0.455) 5.793 3.255 ( -3.145 2.910 -4.827) 6.455 3.443 ( 1.902 6.604 2.450) 7.296 3.520 ( 0.502 1.830 -0.540) 1.973 3.740 ( -1.684 5.166 3.050) 6.231 4.190 ( -0.426 4.359 -0.967) 4.485 4.352 ( -1.530 -1.455 -1.615) 2.659 4.500 ( 0.914 11.929 2.475) 12.217 4.630 ( -1.324 8.030 2.355) 8.472 5.084 ( 0.505 8.515 1.704) 8.698 5.279 ( 1.577 0.739 2.021) 2.668 5.408 ( -1.162 -3.822 -3.590) 5.371 5.913 ( -2.773 -5.406 2.228) 6.471 6.162 ( -0.063 2.311 -1.000) 2.519 6.198 ( 1.985 -4.125 1.623) 4.857 6.255 ( 2.232 -2.925 1.065) 3.830 6.450 ( 0.117 0.450 -3.442) 3.473 6.597 ( -1.113 3.755 -0.339) 3.931 6.653 ( -0.266 1.539 -0.014) 1.562 6.840 ( -2.439 3.361 6.533) 7.741 6.899 ( -0.416 4.314 -2.295) 4.904 7.048 ( -0.834 -1.297 -0.074) 1.544 7.139 ( -2.723 -0.632 -0.388) 2.822 7.263 ( 5.619 6.335 -3.584) 9.195 7.383 ( 3.052 -3.883 -1.297) 5.106 7.471 ( 0.272 4.912 -2.299) 5.430 7.612 ( -1.743 -0.444 -2.500) 3.080 7.643 ( -0.045 1.343 -0.075) 1.346 7.786 ( 2.002 6.879 2.594) 7.620 7.969 ( 0.901 3.826 -0.467) 3.958 8.017 ( -1.791 0.786 -0.433) 2.003 8.074 ( 0.498 -1.505 0.073) 1.587 8.171 ( -1.778 -1.171 0.503) 2.188 8.388 ( 1.488 1.422 2.085) 2.929 8.425 ( -0.062 -0.957 -0.151) 0.971 8.691 ( -0.442 6.762 -0.007) 6.777 8.730 ( -0.100 5.233 -0.329) 5.244 8.959 ( -1.261 5.673 -0.274) 5.817 9.053 ( -0.003 0.867 -0.295) 0.916 9.133 ( 1.116 -3.330 0.980) 3.646 9.144 ( 0.002 -3.975 -0.106) 3.976 10.011 ( 0.095 -2.208 0.709) 2.321 10.031 ( -0.377 -1.365 -0.562) 1.524 10.872 ( 0.033 -0.950 0.005) 0.951 10.959 ( -0.150 -2.837 0.109) 2.843 ======================= Grid point 94 (51/91) ======================= q-point: (-0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.248 1.470 0.539) 1.585 1.468 ( -0.161 1.472 -0.270) 1.505 1.654 ( 1.285 8.667 -1.207) 8.845 1.709 ( 0.531 3.516 -1.143) 3.735 1.806 ( 1.686 0.777 -2.174) 2.859 1.885 ( 1.723 -0.093 -0.027) 1.726 1.953 ( -2.622 -2.022 0.108) 3.313 2.073 ( -0.813 -1.229 -0.599) 1.591 2.201 ( -2.822 -1.514 1.630) 3.594 2.329 ( 1.022 -0.325 -0.972) 1.448 2.443 ( -0.598 9.828 1.100) 9.908 2.489 ( 0.428 9.495 -0.146) 9.505 2.564 ( -0.808 3.831 2.617) 4.710 2.672 ( -0.690 5.013 1.488) 5.275 2.757 ( 0.693 0.278 -2.634) 2.738 2.863 ( 1.827 -3.907 -5.321) 6.850 3.213 ( -0.355 2.392 3.991) 4.666 3.502 ( 1.928 -2.034 -0.470) 2.841 3.531 ( 1.805 10.101 0.922) 10.302 3.690 ( -5.087 7.639 0.465) 9.190 4.187 ( 0.089 3.553 0.109) 3.556 4.321 ( -0.364 -1.313 -0.013) 1.362 4.516 ( -0.308 10.866 -0.741) 10.896 4.625 ( -2.039 8.631 3.386) 9.493 5.097 ( -0.372 8.939 0.625) 8.969 5.333 ( -0.453 -1.425 -0.595) 1.609 5.356 ( 1.634 -2.427 -0.203) 2.933 5.908 ( 0.321 -4.147 1.912) 4.578 6.068 ( -6.080 -0.717 -1.166) 6.233 6.302 ( 3.585 -1.484 -0.030) 3.880 6.320 ( 4.853 -5.105 0.937) 7.106 6.450 ( 1.668 -0.881 0.457) 1.941 6.588 ( -0.183 4.390 0.098) 4.395 6.638 ( -1.197 2.036 -0.051) 2.362 6.745 ( -8.797 6.397 1.831) 11.030 6.882 ( 1.376 5.332 -5.437) 7.738 7.023 ( -1.331 4.593 0.791) 4.847 7.167 ( 2.003 -7.560 1.391) 7.943 7.300 ( 1.417 5.940 -0.188) 6.110 7.412 ( 1.846 -0.935 -2.513) 3.255 7.469 ( 0.245 -1.774 -1.537) 2.360 7.549 ( -0.883 1.801 -0.778) 2.151 7.730 ( 7.273 0.100 1.116) 7.359 7.838 ( 1.877 5.940 0.385) 6.241 7.955 ( -1.809 2.637 -0.946) 3.334 7.988 ( -0.878 1.795 0.136) 2.003 8.086 ( 0.581 -1.424 0.110) 1.542 8.125 ( -3.999 1.332 1.322) 4.417 8.404 ( -0.489 1.021 -1.630) 1.984 8.429 ( 0.487 -0.637 1.072) 1.338 8.689 ( 0.357 6.325 -0.161) 6.337 8.730 ( -0.115 5.467 0.638) 5.506 8.938 ( -0.953 5.655 0.394) 5.748 9.049 ( -0.217 0.367 -0.075) 0.433 9.142 ( 0.102 -2.680 -0.454) 2.720 9.159 ( 0.775 -3.875 0.320) 3.964 10.009 ( -0.594 -1.617 -0.107) 1.726 10.027 ( 0.215 -1.930 0.285) 1.963 10.873 ( 0.090 -0.980 0.037) 0.985 10.958 ( -0.112 -2.864 0.193) 2.873 ======================= Grid point 95 (52/91) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.135 0.333 0.254) 0.440 1.467 ( -0.070 -0.570 -0.216) 0.614 1.740 ( 0.274 1.451 -2.052) 2.528 1.773 ( 1.550 -1.030 -2.257) 2.925 1.818 ( 0.096 3.020 0.417) 3.050 1.867 ( 0.001 -1.298 0.069) 1.299 1.954 ( 0.213 2.066 1.451) 2.533 2.007 ( 0.321 -3.118 0.971) 3.281 2.203 ( -0.237 3.525 -1.408) 3.803 2.292 ( 0.546 -4.414 -0.723) 4.506 2.533 ( -1.360 4.221 -2.543) 5.112 2.578 ( -0.817 -0.941 0.597) 1.382 2.711 ( 1.359 4.360 0.439) 4.588 2.732 ( -0.030 1.618 -1.249) 2.044 2.760 ( -0.385 3.212 1.199) 3.450 2.822 ( 0.670 -2.189 0.857) 2.444 3.338 ( 2.184 3.356 4.734) 6.200 3.424 ( 1.146 -4.648 0.971) 4.884 3.687 ( -2.774 4.170 -3.731) 6.245 3.715 ( -2.831 1.650 -0.807) 3.375 4.255 ( 1.213 2.530 2.210) 3.572 4.307 ( 1.418 -2.546 2.717) 3.984 4.664 ( -1.048 6.300 -1.722) 6.615 4.716 ( -0.944 1.119 -0.275) 1.490 5.262 ( -0.947 3.415 1.418) 3.817 5.316 ( 0.511 -1.006 2.624) 2.856 5.439 ( -0.033 12.578 -0.396) 12.585 5.750 ( -1.194 -13.304 1.405) 13.431 6.017 ( -0.068 3.397 -2.647) 4.307 6.135 ( -0.449 -8.809 -2.992) 9.314 6.391 ( 0.163 3.694 2.576) 4.506 6.476 ( 1.111 -4.008 3.898) 5.701 6.642 ( 0.479 1.662 0.645) 1.846 6.659 ( 0.469 0.125 0.716) 0.865 6.803 ( -2.560 8.428 -4.089) 9.711 6.940 ( -0.554 -3.069 -4.016) 5.085 7.016 ( 0.087 1.929 -2.498) 3.157 7.084 ( 0.096 -1.096 -0.327) 1.147 7.322 ( -1.071 -0.933 -0.182) 1.432 7.354 ( 1.897 -3.741 -0.690) 4.250 7.519 ( 2.626 5.008 -1.141) 5.769 7.597 ( 2.187 -2.457 1.391) 3.571 7.836 ( 0.225 3.497 0.956) 3.632 7.913 ( 0.216 -3.277 2.276) 3.995 7.973 ( -1.197 4.592 -0.883) 4.827 8.018 ( -0.647 -0.093 0.057) 0.656 8.101 ( 0.776 1.703 0.613) 1.969 8.120 ( -0.893 0.170 1.505) 1.758 8.404 ( -0.405 1.087 -1.471) 1.874 8.419 ( -0.348 -0.589 -0.767) 1.028 8.826 ( 0.210 6.729 -0.105) 6.733 8.869 ( -0.359 6.986 0.353) 7.004 8.961 ( -0.201 -5.691 -0.142) 5.697 8.979 ( 0.018 -2.984 0.628) 3.049 9.134 ( 0.002 0.717 0.028) 0.717 9.140 ( -0.008 0.403 -0.109) 0.418 9.969 ( -0.058 -0.941 0.002) 0.943 9.983 ( 0.184 -2.219 0.310) 2.248 10.877 ( -0.022 1.017 0.133) 1.026 10.909 ( -0.049 -2.002 0.197) 2.012 ======================= Grid point 96 (53/91) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.164 0.094 -0.212) 0.284 1.469 ( 0.229 -0.381 0.267) 0.519 1.734 ( 0.722 2.405 -1.321) 2.838 1.792 ( 2.137 -2.542 -1.937) 3.844 1.822 ( 0.526 4.477 -0.197) 4.512 1.880 ( 1.446 -1.623 -0.224) 2.185 1.966 ( -0.256 2.897 1.131) 3.121 2.032 ( 1.190 -3.673 0.602) 3.907 2.190 ( 0.430 3.958 -1.299) 4.188 2.293 ( 0.875 -5.111 -1.859) 5.508 2.499 ( -0.754 5.304 -0.275) 5.365 2.567 ( -1.290 -2.267 1.296) 2.912 2.692 ( -1.214 2.598 -0.812) 2.980 2.734 ( 0.146 0.622 -0.998) 1.185 2.779 ( 0.451 4.844 1.615) 5.126 2.832 ( -0.175 -0.184 0.550) 0.606 3.422 ( 1.796 0.962 3.395) 3.959 3.449 ( 0.390 -1.506 -0.092) 1.558 3.600 ( -2.272 4.903 -2.416) 5.920 3.669 ( -1.162 -1.304 0.607) 1.849 4.297 ( 0.659 2.829 1.525) 3.281 4.349 ( 0.419 -2.259 1.626) 2.815 4.641 ( 0.239 7.078 -0.681) 7.114 4.706 ( 0.349 0.626 -0.565) 0.913 5.252 ( -1.776 5.657 1.364) 6.084 5.343 ( -0.081 -1.050 1.848) 2.127 5.423 ( -1.293 10.524 -0.347) 10.609 5.733 ( -1.830 -13.636 1.807) 13.877 6.031 ( 3.702 1.745 -2.270) 4.680 6.111 ( 0.923 -6.355 -2.393) 6.853 6.382 ( -3.315 5.505 2.933) 7.064 6.506 ( -1.334 -5.797 3.336) 6.820 6.663 ( 0.454 1.511 0.914) 1.824 6.678 ( 0.538 0.479 0.171) 0.741 6.744 ( 0.202 6.310 -3.386) 7.164 6.881 ( -0.520 -7.100 -5.223) 8.830 7.022 ( 1.426 5.661 0.201) 5.841 7.111 ( 2.994 -0.659 0.212) 3.073 7.301 ( -0.438 1.186 -1.034) 1.633 7.390 ( 2.762 -5.648 -1.406) 6.443 7.547 ( 1.064 5.815 -1.911) 6.213 7.642 ( 1.393 -3.255 -0.021) 3.541 7.803 ( -3.670 5.422 1.677) 6.758 7.886 ( -3.826 -1.244 1.502) 4.294 7.983 ( 1.407 1.951 0.197) 2.414 8.016 ( 0.163 -0.616 -0.050) 0.639 8.113 ( -0.033 2.240 0.317) 2.263 8.136 ( 0.775 -0.055 1.315) 1.527 8.384 ( -0.301 1.435 -1.038) 1.797 8.405 ( -0.302 -0.904 -0.558) 1.105 8.836 ( 0.817 6.365 0.110) 6.419 8.862 ( -0.609 7.225 0.155) 7.252 8.963 ( 0.488 -5.670 0.063) 5.691 8.986 ( 0.185 -3.738 0.379) 3.761 9.128 ( -0.596 0.890 0.103) 1.076 9.133 ( -0.516 0.859 -0.152) 1.014 9.969 ( -0.009 -0.671 0.059) 0.673 9.988 ( 0.145 -2.442 0.145) 2.450 10.878 ( -0.073 1.064 0.116) 1.072 10.910 ( -0.034 -2.033 0.179) 2.041 ======================= Grid point 97 (54/91) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.098 0.441 -0.267) 0.525 1.474 ( 0.098 -0.641 0.172) 0.670 1.740 ( 1.006 3.206 -0.851) 3.466 1.800 ( 0.174 -0.495 -0.348) 0.630 1.837 ( 1.909 3.677 -2.475) 4.826 1.897 ( 0.245 -1.548 -0.560) 1.664 1.968 ( -0.067 2.784 0.240) 2.795 2.046 ( 0.072 -4.633 -0.339) 4.646 2.198 ( 0.921 3.525 0.110) 3.645 2.290 ( 0.952 -4.172 -2.172) 4.799 2.502 ( -0.005 4.902 2.390) 5.454 2.562 ( -0.874 -1.237 2.230) 2.696 2.671 ( -0.419 1.092 -0.566) 1.300 2.719 ( 0.046 -0.788 -2.314) 2.444 2.790 ( -0.303 4.427 0.444) 4.460 2.827 ( -0.535 0.840 -0.148) 1.007 3.406 ( -1.895 1.600 -4.734) 5.344 3.442 ( -0.316 -1.608 -1.387) 2.147 3.600 ( 0.808 6.559 4.016) 7.734 3.702 ( 0.934 -2.920 5.633) 6.414 4.292 ( -0.790 2.872 -1.646) 3.403 4.346 ( -0.895 -2.415 -1.008) 2.766 4.660 ( 1.010 6.820 1.465) 7.048 4.718 ( 0.578 1.070 0.918) 1.524 5.236 ( -1.060 5.759 1.690) 6.095 5.341 ( -0.923 -5.193 0.124) 5.276 5.402 ( -0.593 14.066 0.446) 14.086 5.722 ( -1.429 -14.459 2.029) 14.670 6.088 ( 3.643 0.464 -0.687) 3.736 6.127 ( 2.059 -3.371 -0.450) 3.975 6.336 ( -3.642 6.437 0.569) 7.418 6.471 ( -2.731 -5.712 -2.840) 6.939 6.668 ( -0.490 1.608 0.068) 1.682 6.678 ( -0.219 0.725 -0.442) 0.877 6.782 ( 3.441 2.841 4.355) 6.235 6.867 ( 3.018 -5.779 -1.074) 6.607 7.040 ( -0.930 5.827 1.507) 6.090 7.161 ( 0.358 -5.103 1.119) 5.237 7.302 ( 2.779 4.941 -2.210) 6.084 7.422 ( 2.406 -5.929 -1.824) 6.654 7.499 ( -2.073 8.063 -4.769) 9.595 7.630 ( -0.625 -4.350 -4.080) 5.997 7.770 ( -1.705 5.474 0.648) 5.770 7.842 ( -2.194 -0.525 1.659) 2.800 8.004 ( 0.796 1.251 0.479) 1.558 8.019 ( -0.301 -0.136 0.946) 1.002 8.112 ( -0.166 2.942 -0.108) 2.948 8.154 ( 0.038 -1.224 0.870) 1.502 8.383 ( 0.585 1.357 0.546) 1.575 8.403 ( 0.154 -0.798 0.454) 0.931 8.847 ( -0.072 6.926 -0.514) 6.945 8.858 ( 0.124 7.134 0.815) 7.182 8.975 ( 0.436 -5.613 0.240) 5.635 8.990 ( -0.017 -4.795 0.173) 4.798 9.118 ( -0.504 1.290 0.043) 1.385 9.123 ( -0.260 1.013 -0.109) 1.052 9.969 ( -0.024 -0.749 0.046) 0.751 9.989 ( -0.042 -2.493 -0.184) 2.500 10.877 ( -0.085 1.135 0.060) 1.139 10.911 ( -0.076 -2.064 0.117) 2.069 ======================= Grid point 98 (55/91) ======================= q-point: (-0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -0.106 0.671 -0.157) 0.698 1.475 ( -0.114 -0.719 0.002) 0.728 1.752 ( 1.062 3.004 -0.884) 3.306 1.801 ( 0.280 0.179 -0.150) 0.365 1.827 ( -0.143 3.626 -3.361) 4.946 1.881 ( -0.887 -0.228 -0.305) 0.965 1.966 ( -0.785 1.003 0.363) 1.325 2.030 ( -1.051 -4.895 -0.704) 5.056 2.214 ( 0.300 3.038 0.598) 3.111 2.290 ( 0.686 -3.178 -1.279) 3.494 2.542 ( 1.241 4.148 3.532) 5.587 2.576 ( -0.012 1.350 1.623) 2.111 2.666 ( 0.522 0.170 -1.453) 1.554 2.703 ( 1.247 -1.655 -2.179) 3.007 2.781 ( -1.051 3.213 0.718) 3.456 2.810 ( -0.541 0.343 -1.249) 1.404 3.327 ( -1.982 4.222 -3.566) 5.871 3.418 ( -0.308 -4.326 -1.852) 4.716 3.663 ( 1.134 7.622 4.863) 9.112 3.768 ( 0.056 -2.221 5.133) 5.593 4.256 ( -0.972 2.638 -2.061) 3.486 4.308 ( -1.205 -2.571 -2.341) 3.680 4.688 ( 0.331 6.101 1.433) 6.276 4.734 ( -0.307 1.628 1.840) 2.476 5.248 ( 0.071 4.150 2.223) 4.708 5.321 ( -1.083 -3.536 -0.691) 3.762 5.409 ( 0.737 13.698 0.571) 13.730 5.720 ( -0.624 -13.829 2.087) 14.000 6.138 ( 0.847 -0.981 1.068) 1.679 6.154 ( 0.158 -2.008 -0.048) 2.014 6.281 ( -0.178 4.929 -1.447) 5.140 6.396 ( -1.335 -5.295 -3.012) 6.236 6.656 ( -0.484 1.816 -0.102) 1.882 6.671 ( -0.163 0.266 -0.287) 0.424 6.898 ( 3.011 2.307 4.898) 6.195 6.951 ( 4.583 -3.352 1.929) 5.997 7.012 ( -2.859 5.878 0.490) 6.555 7.128 ( -3.873 -4.483 0.492) 5.945 7.327 ( 0.099 4.195 -0.683) 4.252 7.430 ( -0.864 -4.134 -1.467) 4.471 7.458 ( 4.428 5.288 -6.087) 9.199 7.567 ( 0.287 -4.032 -6.345) 7.523 7.747 ( -0.430 6.365 0.100) 6.380 7.838 ( -0.084 -1.859 1.721) 2.535 8.018 ( -0.601 1.189 0.652) 1.483 8.026 ( 0.588 0.250 0.933) 1.131 8.103 ( -0.554 3.226 -0.413) 3.299 8.153 ( -1.032 -1.437 0.924) 1.996 8.407 ( 0.840 0.552 1.154) 1.530 8.415 ( 0.390 -0.236 0.586) 0.742 8.836 ( -0.479 7.339 -0.152) 7.356 8.867 ( 0.081 7.202 0.405) 7.214 8.978 ( -0.376 -5.893 0.423) 5.920 8.987 ( -0.495 -4.162 -0.001) 4.191 9.116 ( 0.363 1.266 -0.033) 1.318 9.125 ( 0.488 0.540 -0.016) 0.728 9.969 ( -0.017 -1.069 0.092) 1.073 9.984 ( -0.180 -2.295 -0.335) 2.326 10.876 ( -0.043 1.132 0.043) 1.133 10.910 ( -0.116 -2.054 0.097) 2.060 ======================= Grid point 99 (56/91) ======================= q-point: (-0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -0.141 0.630 0.040) 0.646 1.472 ( -0.171 -0.694 -0.121) 0.725 1.755 ( 0.573 1.618 -2.023) 2.653 1.784 ( -0.137 0.134 -2.974) 2.980 1.811 ( -0.032 3.643 0.750) 3.719 1.871 ( -0.405 -1.438 0.299) 1.524 1.948 ( -0.973 1.519 0.464) 1.863 2.008 ( -0.953 -4.034 0.285) 4.155 2.216 ( -0.243 3.023 -0.302) 3.048 2.290 ( 0.282 -3.341 -0.530) 3.395 2.575 ( -0.808 2.867 -0.878) 3.105 2.583 ( -0.248 1.590 1.467) 2.178 2.667 ( 2.132 4.585 -0.868) 5.130 2.729 ( 1.549 -0.820 -0.423) 1.803 2.772 ( -0.641 1.582 -0.186) 1.717 2.797 ( 0.480 -1.654 0.372) 1.762 3.291 ( -0.236 5.147 0.881) 5.227 3.406 ( 0.444 -5.821 -0.552) 5.864 3.713 ( 0.463 6.510 1.798) 6.770 3.775 ( -2.699 0.598 1.082) 2.968 4.235 ( -0.104 1.808 -0.000) 1.811 4.278 ( -0.146 -2.492 -0.228) 2.507 4.691 ( -0.661 5.801 -0.241) 5.843 4.735 ( -1.283 1.707 1.235) 2.467 5.266 ( -0.614 2.394 1.957) 3.152 5.296 ( -0.623 -1.812 0.236) 1.930 5.431 ( 1.050 13.872 0.007) 13.912 5.740 ( 0.342 -13.048 1.969) 13.200 6.079 ( -4.081 2.114 -1.507) 4.837 6.163 ( 0.143 -6.489 -1.420) 6.644 6.329 ( 3.878 2.791 1.239) 4.936 6.402 ( 3.140 -3.615 0.909) 4.874 6.646 ( -0.812 1.621 0.158) 1.820 6.662 ( -0.672 0.109 -0.043) 0.682 6.898 ( -4.892 6.991 -0.167) 8.534 6.977 ( -0.069 2.434 -3.035) 3.891 7.024 ( 1.499 -1.371 0.253) 2.047 7.088 ( -0.937 -2.525 1.416) 3.043 7.321 ( 0.272 0.717 0.146) 0.781 7.375 ( -2.467 -4.582 -1.880) 5.534 7.488 ( 3.454 4.339 -3.854) 6.753 7.556 ( 2.146 -2.354 -1.665) 3.594 7.781 ( 3.526 5.003 0.619) 6.152 7.869 ( 1.726 -2.684 1.572) 3.558 8.006 ( -1.335 2.725 0.253) 3.045 8.033 ( -0.762 0.308 0.537) 0.982 8.091 ( -0.171 2.436 -0.028) 2.443 8.135 ( -1.880 -1.056 1.170) 2.453 8.418 ( -0.005 0.482 -0.572) 0.748 8.425 ( 0.143 -0.060 0.195) 0.249 8.828 ( -0.273 7.157 -0.110) 7.163 8.870 ( -0.137 7.144 0.411) 7.157 8.971 ( -0.685 -6.381 -0.020) 6.418 8.977 ( -0.466 -2.588 0.445) 2.667 9.127 ( 0.648 0.862 0.017) 1.078 9.135 ( 0.534 0.200 -0.065) 0.574 9.970 ( -0.025 -1.274 0.072) 1.276 9.979 ( -0.057 -2.041 -0.037) 2.042 10.877 ( -0.002 1.060 0.089) 1.063 10.909 ( -0.100 -2.016 0.147) 2.023 ======================= Grid point 130 (57/91) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( -9.724 0.000 -2.948) 10.161 0.735 ( 0.694 0.000 -3.314) 3.386 0.768 ( -0.492 0.000 12.781) 12.791 1.034 ( 1.553 0.000 2.659) 3.080 1.161 ( 0.933 0.000 -0.772) 1.211 1.224 ( 2.095 0.000 0.860) 2.264 1.412 ( 4.757 0.000 7.630) 8.992 1.502 ( -2.689 0.000 -11.250) 11.567 1.656 ( -0.003 0.000 0.302) 0.302 1.751 ( -0.250 0.000 3.363) 3.372 1.940 ( 3.664 0.000 6.146) 7.155 1.987 ( 0.650 0.000 3.885) 3.939 2.059 ( -0.864 0.000 1.072) 1.377 2.113 ( -0.134 0.000 -1.497) 1.503 2.186 ( -1.509 0.000 -0.717) 1.671 2.331 ( -1.651 0.000 -9.854) 9.991 2.648 ( -4.199 0.000 -7.468) 8.567 2.730 ( -0.257 0.000 -0.280) 0.381 2.844 ( 0.273 0.000 0.827) 0.870 2.875 ( 0.033 0.000 6.011) 6.011 3.334 ( 1.941 0.000 -0.991) 2.180 3.543 ( -0.883 0.000 -1.021) 1.350 3.962 ( 0.450 0.000 0.938) 1.040 4.080 ( -0.343 0.000 0.468) 0.580 4.680 ( 0.899 0.000 1.665) 1.893 5.117 ( -0.198 0.000 0.206) 0.285 5.392 ( 0.484 0.000 -0.611) 0.779 5.780 ( -9.029 0.000 5.063) 10.352 5.783 ( 0.526 0.000 -0.187) 0.558 5.922 ( 11.947 0.000 -9.474) 15.247 6.199 ( -3.078 0.000 0.905) 3.208 6.263 ( -0.923 0.000 0.086) 0.927 6.286 ( -0.397 0.000 -0.696) 0.801 6.515 ( -0.102 0.000 0.004) 0.102 6.556 ( -1.605 0.000 0.905) 1.842 6.606 ( -0.622 0.000 1.367) 1.502 6.620 ( 0.359 0.000 -0.577) 0.680 6.676 ( -2.192 0.000 -0.072) 2.193 6.743 ( 0.257 0.000 0.176) 0.312 6.866 ( 2.757 0.000 -2.584) 3.779 7.395 ( 0.752 0.000 1.172) 1.393 7.503 ( 0.403 0.000 -0.769) 0.868 7.648 ( 2.025 0.000 1.414) 2.470 7.912 ( 0.271 0.000 -0.043) 0.275 7.972 ( -0.864 0.000 0.146) 0.877 7.972 ( -0.670 0.000 0.170) 0.692 8.150 ( -5.448 0.000 -0.250) 5.454 8.155 ( 5.027 0.000 -0.635) 5.067 8.592 ( -1.624 0.000 -0.001) 1.624 8.604 ( -0.450 0.000 0.205) 0.494 8.695 ( 2.563 0.000 1.365) 2.904 8.775 ( 0.074 0.000 0.777) 0.780 8.842 ( 0.022 0.000 0.054) 0.058 8.854 ( -0.016 0.000 -0.027) 0.032 9.174 ( -0.346 0.000 -0.189) 0.394 9.323 ( 0.237 0.000 0.699) 0.738 9.718 ( 4.561 0.000 4.056) 6.103 9.802 ( -6.565 0.000 -4.721) 8.086 11.287 ( 0.259 0.000 -0.088) 0.274 11.831 ( 1.209 0.000 -0.309) 1.248 ======================= Grid point 131 (58/91) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 22.071 0.000 4.470) 22.519 0.799 ( 4.823 0.000 2.279) 5.334 0.848 ( 1.294 0.000 2.283) 2.624 1.102 ( 9.126 0.000 -3.789) 9.881 1.158 ( -2.185 0.000 -7.518) 7.829 1.189 ( -1.503 0.000 -0.016) 1.503 1.451 ( -0.536 0.000 -9.601) 9.615 1.479 ( 3.489 0.000 5.535) 6.543 1.659 ( 0.112 0.000 1.236) 1.241 1.717 ( -4.541 0.000 -1.417) 4.757 1.973 ( -2.948 0.000 -9.051) 9.519 2.006 ( -3.790 0.000 1.420) 4.047 2.012 ( 0.487 0.000 -1.508) 1.584 2.098 ( -0.600 0.000 0.552) 0.815 2.244 ( 4.322 0.000 4.697) 6.383 2.303 ( 3.359 0.000 4.709) 5.784 2.553 ( -5.449 0.000 6.386) 8.395 2.730 ( 0.112 0.000 0.501) 0.514 2.846 ( -0.240 0.000 -0.525) 0.578 2.913 ( 1.171 0.000 1.065) 1.583 3.325 ( -0.976 0.000 -3.126) 3.275 3.556 ( 1.964 0.000 1.027) 2.217 3.977 ( 0.989 0.000 -0.851) 1.305 4.082 ( -0.039 0.000 0.680) 0.681 4.689 ( -0.004 0.000 -1.660) 1.660 5.093 ( -2.029 0.000 0.201) 2.039 5.442 ( 4.993 0.000 -0.746) 5.048 5.679 ( -6.157 0.000 5.066) 7.973 5.766 ( -1.708 0.000 -1.025) 1.992 5.945 ( 1.712 0.000 -7.884) 8.068 6.251 ( -1.430 0.000 1.472) 2.052 6.286 ( 5.693 0.000 2.857) 6.369 6.287 ( 0.443 0.000 0.755) 0.875 6.508 ( -0.766 0.000 0.397) 0.862 6.592 ( 2.752 0.000 3.610) 4.540 6.608 ( -0.332 0.000 0.815) 0.881 6.635 ( -3.955 0.000 3.528) 5.300 6.720 ( 11.646 0.000 -1.724) 11.773 6.739 ( -0.545 0.000 -0.296) 0.620 6.859 ( 0.724 0.000 -4.450) 4.508 7.284 ( -9.935 0.000 -2.523) 10.250 7.504 ( 0.445 0.000 -0.795) 0.911 7.658 ( -0.311 0.000 -2.965) 2.981 7.916 ( -0.032 0.000 1.980) 1.980 7.972 ( -0.072 0.000 0.266) 0.276 8.026 ( 3.311 0.000 0.661) 3.376 8.063 ( -2.999 0.000 1.479) 3.344 8.243 ( 4.877 0.000 -0.332) 4.888 8.491 ( -10.884 0.000 2.994) 11.288 8.625 ( -0.803 0.000 -1.892) 2.056 8.645 ( 0.626 0.000 -1.605) 1.723 8.777 ( -1.390 0.000 -0.549) 1.495 8.843 ( 0.027 0.000 -0.044) 0.051 8.853 ( -0.041 0.000 0.032) 0.052 9.185 ( 0.848 0.000 0.438) 0.955 9.328 ( 0.107 0.000 -0.551) 0.561 9.687 ( -2.716 0.000 -3.789) 4.662 9.882 ( 7.321 0.000 7.329) 10.359 11.301 ( 1.493 0.000 -0.636) 1.623 11.746 ( -8.166 0.000 -1.480) 8.299 ======================= Grid point 133 (59/91) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -1.813 0.000 2.211) 2.860 0.859 ( -4.209 0.000 3.051) 5.199 0.905 ( 5.999 0.000 2.584) 6.532 1.002 ( -0.455 0.000 -10.473) 10.483 1.202 ( 0.621 0.000 0.090) 0.627 1.207 ( -0.112 0.000 -11.240) 11.240 1.403 ( 12.325 0.000 -4.574) 13.146 1.615 ( -3.747 0.000 0.172) 3.751 1.636 ( 4.354 0.000 9.774) 10.700 1.719 ( 5.781 0.000 0.082) 5.782 1.820 ( -3.685 0.000 -10.030) 10.685 1.868 ( -11.017 0.000 0.052) 11.017 1.971 ( -0.603 0.000 -6.819) 6.845 2.106 ( -0.373 0.000 2.512) 2.539 2.304 ( 0.044 0.000 2.160) 2.160 2.401 ( 0.367 0.000 2.341) 2.369 2.656 ( 3.575 0.000 17.876) 18.230 2.742 ( 0.284 0.000 1.156) 1.190 2.828 ( -0.573 0.000 -1.338) 1.456 2.958 ( 3.493 0.000 -1.172) 3.685 3.254 ( -2.555 0.000 -4.230) 4.942 3.593 ( 0.894 0.000 -0.097) 0.899 3.982 ( 0.643 0.000 -1.399) 1.539 4.088 ( -0.087 0.000 0.756) 0.761 4.656 ( -1.051 0.000 -2.615) 2.818 5.066 ( -0.882 0.000 0.061) 0.884 5.524 ( 3.663 0.000 -0.529) 3.701 5.646 ( -1.231 0.000 1.129) 1.670 5.715 ( -1.980 0.000 -1.320) 2.380 5.910 ( -0.101 0.000 -1.595) 1.598 6.247 ( -0.831 0.000 2.670) 2.796 6.308 ( 0.587 0.000 1.154) 1.295 6.378 ( 2.694 0.000 2.505) 3.678 6.500 ( -0.614 0.000 0.692) 0.926 6.578 ( -5.432 0.000 3.111) 6.260 6.609 ( -0.103 0.000 0.147) 0.180 6.715 ( 6.610 0.000 4.467) 7.978 6.724 ( -0.710 0.000 -0.163) 0.729 6.813 ( 1.046 0.000 -5.535) 5.633 6.937 ( 4.607 0.000 1.264) 4.777 7.074 ( -4.535 0.000 -6.648) 8.048 7.504 ( 0.424 0.000 -0.804) 0.909 7.610 ( -0.594 0.000 -4.330) 4.371 7.918 ( -1.491 0.000 0.533) 1.583 7.974 ( -0.085 0.000 0.275) 0.288 8.044 ( 0.242 0.000 5.885) 5.890 8.110 ( 2.106 0.000 0.577) 2.184 8.303 ( -9.261 0.000 -0.439) 9.271 8.313 ( 2.704 0.000 -0.468) 2.744 8.586 ( 0.270 0.000 -3.416) 3.427 8.674 ( 1.137 0.000 0.607) 1.289 8.734 ( -1.717 0.000 -0.810) 1.898 8.843 ( -0.001 0.000 -0.067) 0.067 8.853 ( -0.018 0.000 0.044) 0.047 9.204 ( 0.611 0.000 0.705) 0.933 9.313 ( -0.642 0.000 -1.360) 1.504 9.627 ( -1.014 0.000 -1.887) 2.143 10.079 ( 5.666 0.000 7.356) 9.285 11.325 ( 1.692 0.000 -0.504) 1.765 11.568 ( -7.796 0.000 -2.490) 8.184 ======================= Grid point 134 (60/91) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -12.101 0.000 10.141) 15.789 0.745 ( -7.345 0.000 16.070) 17.669 0.926 ( 0.971 0.000 -10.225) 10.271 1.016 ( 8.227 0.000 -7.125) 10.884 1.131 ( -2.057 0.000 -2.373) 3.140 1.205 ( -0.083 0.000 -0.308) 0.319 1.361 ( -16.610 0.000 -1.378) 16.667 1.638 ( -0.607 0.000 1.754) 1.856 1.659 ( 1.394 0.000 3.588) 3.849 1.749 ( 0.265 0.000 -4.478) 4.486 1.769 ( 2.160 0.000 2.078) 2.997 1.886 ( -1.296 0.000 -4.074) 4.276 1.925 ( 13.751 0.000 -4.318) 14.413 2.121 ( -0.073 0.000 1.216) 1.218 2.315 ( -0.758 0.000 1.345) 1.544 2.415 ( 0.859 0.000 -0.001) 0.859 2.753 ( -0.200 0.000 0.492) 0.531 2.812 ( -0.066 0.000 -0.179) 0.191 2.827 ( -1.565 0.000 9.384) 9.514 2.965 ( 1.082 0.000 -9.528) 9.589 3.208 ( 1.869 0.000 -0.431) 1.918 3.589 ( -0.690 0.000 0.027) 0.690 3.970 ( -0.902 0.000 -0.387) 0.982 4.090 ( -0.427 0.000 0.587) 0.726 4.625 ( -0.785 0.000 0.384) 0.874 5.067 ( 0.959 0.000 -0.024) 0.959 5.522 ( -3.483 0.000 -0.292) 3.495 5.649 ( 1.618 0.000 -0.198) 1.630 5.709 ( 2.444 0.000 -0.763) 2.560 5.916 ( 1.075 0.000 -0.250) 1.104 6.260 ( -0.543 0.000 1.697) 1.782 6.320 ( -0.049 0.000 0.052) 0.071 6.419 ( -0.745 0.000 -1.769) 1.919 6.501 ( 0.160 0.000 0.522) 0.546 6.571 ( 3.184 0.000 6.267) 7.029 6.607 ( -0.230 0.000 0.264) 0.350 6.718 ( 0.000 0.000 0.410) 0.410 6.757 ( -2.091 0.000 -4.085) 4.588 6.818 ( -5.842 0.000 -5.366) 7.932 6.922 ( 10.000 0.000 6.195) 11.763 7.037 ( -3.991 0.000 -5.262) 6.604 7.504 ( 0.368 0.000 -0.786) 0.868 7.579 ( 1.005 0.000 -2.154) 2.377 7.902 ( -1.035 0.000 1.987) 2.241 7.974 ( -0.155 0.000 0.248) 0.293 8.113 ( -0.875 0.000 -0.334) 0.936 8.121 ( -0.225 0.000 0.120) 0.255 8.216 ( 0.996 0.000 6.487) 6.563 8.323 ( -0.749 0.000 -0.611) 0.967 8.570 ( 0.574 0.000 -1.717) 1.810 8.683 ( -0.356 0.000 -0.344) 0.495 8.723 ( 0.871 0.000 0.260) 0.909 8.842 ( -0.040 0.000 0.005) 0.040 8.853 ( 0.036 0.000 0.002) 0.036 9.214 ( -0.076 0.000 -0.140) 0.160 9.296 ( -0.137 0.000 0.136) 0.193 9.614 ( 0.575 0.000 -0.317) 0.656 10.166 ( -0.272 0.000 -1.678) 1.700 11.331 ( -1.308 0.000 -0.703) 1.485 11.501 ( 1.836 0.000 4.057) 4.452 ======================= Grid point 135 (61/91) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -20.152 0.000 -3.125) 20.392 0.686 ( -6.964 0.000 16.630) 18.030 0.820 ( -3.631 0.000 -3.582) 5.100 0.984 ( -12.478 0.000 20.103) 23.661 1.111 ( 6.524 0.000 -2.674) 7.051 1.197 ( -0.137 0.000 -0.388) 0.411 1.232 ( 7.242 0.000 -1.046) 7.317 1.652 ( -0.037 0.000 1.594) 1.594 1.677 ( -2.875 0.000 -13.022) 13.335 1.708 ( 2.513 0.000 -0.594) 2.582 1.832 ( 5.085 0.000 4.063) 6.508 1.925 ( 1.010 0.000 6.221) 6.303 2.032 ( 2.413 0.000 -1.982) 3.122 2.124 ( 0.035 0.000 -0.557) 0.558 2.269 ( -4.388 0.000 -1.283) 4.572 2.430 ( -0.501 0.000 -2.925) 2.968 2.743 ( -0.562 0.000 -0.633) 0.847 2.776 ( -0.094 0.000 -9.139) 9.139 2.825 ( 0.501 0.000 1.414) 1.500 2.868 ( -4.434 0.000 -1.040) 4.554 3.282 ( 3.588 0.000 1.440) 3.866 3.575 ( -1.098 0.000 -0.307) 1.140 3.954 ( -0.793 0.000 0.940) 1.230 4.085 ( -0.582 0.000 0.409) 0.712 4.641 ( 0.445 0.000 3.198) 3.229 5.095 ( 1.911 0.000 0.023) 1.911 5.438 ( -4.378 0.000 -0.338) 4.391 5.728 ( 6.790 0.000 1.387) 6.930 5.755 ( 2.412 0.000 -0.020) 2.412 5.908 ( -0.687 0.000 -3.890) 3.950 6.256 ( -0.924 0.000 0.574) 1.088 6.307 ( -0.657 0.000 -1.123) 1.301 6.345 ( -4.535 0.000 -3.537) 5.751 6.511 ( 0.445 0.000 0.108) 0.458 6.606 ( -0.572 0.000 1.058) 1.203 6.643 ( -5.511 0.000 -2.366) 5.997 6.685 ( -1.990 0.000 -1.263) 2.357 6.730 ( 0.630 0.000 0.595) 0.867 6.731 ( -3.022 0.000 0.781) 3.121 6.834 ( -2.178 0.000 -5.896) 6.285 7.205 ( 13.542 0.000 6.237) 14.909 7.503 ( 0.355 0.000 -0.764) 0.842 7.602 ( 0.789 0.000 2.577) 2.695 7.909 ( -0.869 0.000 2.116) 2.287 7.973 ( -0.187 0.000 0.222) 0.290 8.052 ( -4.428 0.000 -1.215) 4.592 8.099 ( 1.758 0.000 -2.384) 2.962 8.242 ( -4.297 0.000 0.108) 4.298 8.472 ( 12.969 0.000 7.456) 14.960 8.576 ( 1.100 0.000 -0.435) 1.183 8.654 ( -1.926 0.000 -1.291) 2.318 8.758 ( 1.455 0.000 1.314) 1.961 8.842 ( -0.019 0.000 0.075) 0.077 8.854 ( 0.031 0.000 -0.037) 0.048 9.198 ( -0.974 0.000 -0.912) 1.334 9.309 ( 0.293 0.000 1.363) 1.394 9.640 ( 1.885 0.000 1.329) 2.307 10.021 ( -9.289 0.000 -7.960) 12.233 11.296 ( -1.227 0.000 -0.214) 1.245 11.684 ( 10.143 0.000 6.080) 11.826 ======================= Grid point 136 (62/91) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( -6.132 11.851 1.103) 13.389 0.780 ( 0.524 6.374 0.634) 6.427 0.870 ( 3.464 2.228 3.938) 5.698 1.071 ( -0.108 14.862 -2.403) 15.055 1.355 ( 2.174 13.110 -0.785) 13.312 1.397 ( 2.626 12.810 0.703) 13.095 1.445 ( -1.786 6.669 -1.078) 6.987 1.583 ( 0.115 -4.421 -0.225) 4.429 1.675 ( -0.269 -0.300 -2.370) 2.404 1.830 ( -2.173 18.895 7.532) 20.457 1.952 ( 3.187 1.381 1.389) 3.741 2.003 ( 3.370 1.371 5.511) 6.604 2.139 ( -4.301 -1.716 -1.064) 4.752 2.198 ( 0.701 14.134 0.730) 14.170 2.262 ( 0.322 8.695 -5.081) 10.076 2.434 ( -1.435 10.023 -0.288) 10.129 2.652 ( -3.825 2.304 -7.229) 8.496 2.820 ( 1.073 -3.816 2.900) 4.912 2.908 ( 0.130 14.694 -1.308) 14.753 3.021 ( 0.379 15.714 0.581) 15.729 3.326 ( 1.544 1.759 -0.211) 2.350 3.479 ( -0.906 -5.912 -0.664) 6.018 3.981 ( 0.197 2.158 1.063) 2.413 4.608 ( 0.210 1.014 1.356) 1.706 4.728 ( -0.538 38.689 -5.488) 39.080 5.271 ( 0.989 13.043 -0.401) 13.086 5.501 ( -0.887 8.484 -0.655) 8.555 5.683 ( -4.469 -5.394 3.646) 7.897 5.799 ( 4.265 -6.152 -6.526) 9.931 5.916 ( 2.044 9.044 -0.530) 9.287 6.062 ( 0.183 -13.605 1.085) 13.650 6.270 ( -0.945 1.609 1.384) 2.323 6.346 ( 0.183 -5.120 0.023) 5.123 6.505 ( 1.153 5.079 1.536) 5.430 6.537 ( -3.081 5.002 -0.978) 5.956 6.607 ( -0.281 1.791 -2.139) 2.804 6.669 ( 0.107 4.058 -0.078) 4.060 6.733 ( -0.464 2.720 1.368) 3.080 6.863 ( -0.244 8.291 0.495) 8.309 6.927 ( 1.165 5.807 -3.741) 7.005 7.367 ( 0.575 -2.492 1.172) 2.814 7.411 ( 0.843 -6.322 1.704) 6.602 7.669 ( 1.110 2.421 -0.804) 2.782 7.922 ( -1.751 0.606 0.299) 1.877 7.940 ( 1.187 -1.307 -0.743) 1.915 8.081 ( -0.572 7.159 0.426) 7.195 8.132 ( 0.240 -1.194 -0.335) 1.263 8.158 ( -0.615 1.059 -0.642) 1.382 8.450 ( -1.849 -7.165 1.637) 7.579 8.516 ( 0.863 -7.947 -0.218) 7.997 8.613 ( 1.105 -1.761 1.787) 2.742 8.743 ( -0.030 -2.617 0.577) 2.680 8.911 ( 0.037 3.103 -0.352) 3.124 9.159 ( -0.097 -0.368 -0.079) 0.389 9.210 ( 0.401 15.712 -3.274) 16.054 9.276 ( 0.218 -3.655 0.580) 3.708 9.729 ( 5.191 1.583 3.310) 6.357 9.800 ( -7.009 0.480 -3.844) 8.008 11.247 ( 0.193 -3.818 -0.102) 3.824 11.667 ( 0.699 -13.316 2.115) 13.501 ======================= Grid point 137 (63/91) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 18.876 5.826 5.449) 20.492 0.827 ( 1.400 4.554 2.153) 5.228 0.968 ( 10.423 -3.151 -11.173) 15.601 1.088 ( 2.876 17.803 3.282) 18.330 1.293 ( -5.467 9.311 -6.168) 12.435 1.377 ( 0.397 15.092 0.830) 15.120 1.472 ( 0.744 6.494 -0.902) 6.598 1.579 ( -0.461 -4.993 0.632) 5.054 1.659 ( -0.599 0.996 0.051) 1.163 1.831 ( -2.884 12.019 3.314) 12.797 1.928 ( -5.897 -2.646 -3.198) 7.211 2.018 ( 2.181 9.918 -8.268) 13.095 2.158 ( -1.463 10.967 4.475) 11.935 2.219 ( 3.670 -1.864 -0.288) 4.126 2.262 ( 1.872 13.622 0.066) 13.750 2.447 ( 1.637 12.566 3.308) 13.097 2.549 ( -5.661 1.503 6.921) 9.067 2.830 ( -0.589 -4.309 -0.888) 4.439 2.916 ( 1.535 14.088 -0.161) 14.172 3.021 ( -0.336 15.477 -0.629) 15.494 3.310 ( -1.668 0.981 -2.845) 3.441 3.485 ( 0.970 -5.737 1.528) 6.015 3.989 ( 0.212 2.205 -0.302) 2.235 4.615 ( 0.203 6.302 -0.137) 6.306 4.680 ( -2.027 31.211 0.766) 31.286 5.248 ( -1.772 13.361 -1.276) 13.538 5.538 ( 3.155 4.509 2.265) 5.951 5.628 ( -2.766 -0.739 1.419) 3.195 5.781 ( -1.115 -3.273 -2.223) 4.111 5.951 ( 2.022 6.817 -3.805) 8.065 6.077 ( 1.229 -14.940 -0.284) 14.993 6.261 ( -1.652 1.480 1.987) 2.978 6.373 ( 2.137 -1.377 -0.169) 2.547 6.480 ( -1.901 4.421 -0.450) 4.833 6.576 ( 1.729 -1.365 5.521) 5.945 6.612 ( 1.895 3.694 -0.936) 4.256 6.730 ( 3.972 4.712 0.233) 6.167 6.755 ( 2.962 3.289 0.611) 4.469 6.847 ( -0.828 6.872 -0.364) 6.931 6.902 ( -0.201 4.918 -2.089) 5.347 7.248 ( -9.169 -3.317 -2.471) 10.059 7.452 ( 1.027 -3.488 -0.679) 3.699 7.683 ( 1.409 2.573 -1.744) 3.413 7.883 ( -1.320 -1.386 1.149) 2.233 8.023 ( 4.512 -0.313 -0.187) 4.527 8.074 ( -2.315 0.739 0.227) 2.441 8.086 ( 0.112 8.286 1.495) 8.420 8.215 ( 3.828 -1.579 0.271) 4.150 8.396 ( -5.669 -5.487 2.279) 8.212 8.535 ( 1.032 -7.145 -1.067) 7.298 8.614 ( -0.277 -1.950 -1.443) 2.441 8.736 ( -1.085 -2.642 -0.035) 2.856 8.913 ( 0.399 3.067 -0.058) 3.094 9.105 ( -4.929 12.340 -0.034) 13.288 9.186 ( -0.155 3.080 -0.258) 3.095 9.281 ( 0.103 -4.147 -0.496) 4.178 9.685 ( -2.847 0.282 -3.096) 4.216 9.883 ( 6.501 0.495 6.214) 9.007 11.259 ( 1.335 -3.950 -0.475) 4.196 11.618 ( -5.864 -11.025 -0.936) 12.523 ======================= Grid point 139 (64/91) ======================= q-point: ( 0.40 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -1.668 2.230 -0.544) 2.838 0.873 ( 3.858 4.486 3.456) 6.853 1.060 ( 9.603 6.626 -9.245) 14.887 1.136 ( -2.841 13.588 3.845) 14.405 1.220 ( 0.660 5.434 -5.793) 7.971 1.395 ( -1.477 10.962 -5.953) 12.561 1.443 ( 5.553 7.679 3.968) 10.274 1.587 ( 0.075 -1.638 0.650) 1.763 1.649 ( 1.531 0.228 -1.072) 1.882 1.746 ( -9.372 -1.799 -2.519) 9.870 1.834 ( -2.275 5.485 0.374) 5.950 2.001 ( 4.497 19.711 -4.192) 20.647 2.153 ( -0.281 5.908 -0.227) 5.919 2.188 ( -4.051 11.970 -1.665) 12.747 2.334 ( 2.858 3.491 2.818) 5.320 2.436 ( -2.639 5.529 -0.036) 6.127 2.664 ( 0.959 1.768 15.773) 15.901 2.817 ( 0.939 -3.342 -1.024) 3.620 2.964 ( 3.893 13.414 0.511) 13.977 3.000 ( -0.895 15.150 -1.282) 15.230 3.231 ( -2.593 0.813 -5.132) 5.807 3.519 ( 0.736 -5.549 1.563) 5.812 3.980 ( -0.303 2.197 -1.391) 2.618 4.606 ( -0.443 -3.963 -1.832) 4.388 4.685 ( 0.371 41.374 3.890) 41.558 5.213 ( -0.694 12.712 -1.207) 12.788 5.579 ( -0.808 -4.623 0.245) 4.699 5.651 ( 4.641 9.873 -0.304) 10.913 5.746 ( -2.721 -0.557 2.918) 4.028 5.910 ( -0.874 2.920 -5.126) 5.964 6.102 ( 1.495 -15.397 -0.673) 15.484 6.253 ( -1.239 0.963 2.198) 2.701 6.409 ( 1.293 0.894 0.858) 1.791 6.449 ( -1.530 2.360 0.434) 2.846 6.617 ( -0.774 2.421 4.082) 4.809 6.701 ( 4.970 0.139 3.207) 5.917 6.759 ( 1.455 5.018 -0.357) 5.237 6.783 ( -0.451 5.506 0.120) 5.526 6.800 ( -1.290 -0.666 -4.096) 4.346 6.963 ( -0.647 2.738 1.151) 3.039 7.070 ( -1.315 0.225 -4.972) 5.148 7.450 ( -0.093 -3.078 -1.018) 3.243 7.691 ( 1.501 5.836 -2.244) 6.431 7.864 ( -1.607 -1.781 -0.280) 2.415 8.041 ( -0.059 0.908 0.890) 1.273 8.095 ( 1.006 0.865 2.144) 2.521 8.122 ( 1.772 5.843 1.139) 6.211 8.278 ( 0.770 -1.502 0.695) 1.825 8.302 ( -4.562 -0.648 1.319) 4.793 8.516 ( -0.272 -5.847 -3.249) 6.695 8.614 ( 0.628 -4.420 -0.129) 4.467 8.709 ( -1.245 -2.054 -0.416) 2.437 8.922 ( 0.462 3.713 0.025) 3.742 9.038 ( -2.009 13.916 0.264) 14.063 9.190 ( 0.384 -0.427 0.256) 0.629 9.268 ( -0.565 -3.973 -1.214) 4.192 9.629 ( -0.951 0.594 -1.654) 1.998 10.047 ( 4.383 -2.491 6.124) 7.932 11.281 ( 1.467 -4.136 -0.388) 4.405 11.485 ( -5.887 -7.399 -2.017) 9.668 ======================= Grid point 140 (65/91) ======================= q-point: (-0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -5.118 2.502 4.725) 7.401 0.893 ( -4.901 8.553 6.339) 11.720 1.038 ( -6.851 6.069 -9.515) 13.202 1.143 ( 4.845 10.655 -2.827) 12.041 1.190 ( -0.988 9.659 4.582) 10.736 1.337 ( 0.397 11.171 -3.620) 11.750 1.501 ( -9.585 12.453 -1.457) 15.782 1.560 ( 0.662 -5.130 3.869) 6.459 1.631 ( 1.982 1.348 -2.204) 3.256 1.734 ( 5.684 0.326 -1.922) 6.009 1.802 ( 1.765 3.404 3.097) 4.929 2.064 ( -2.516 18.313 -3.132) 18.749 2.087 ( 0.954 9.218 0.059) 9.268 2.194 ( 4.769 7.858 -0.737) 9.221 2.379 ( -3.138 3.569 -1.639) 5.027 2.405 ( 1.983 4.125 3.392) 5.697 2.741 ( -2.790 -6.543 7.212) 10.130 2.843 ( 0.849 3.471 -0.703) 3.642 2.973 ( -1.081 14.652 -0.293) 14.694 3.031 ( 1.912 13.132 -4.705) 14.080 3.174 ( 2.841 1.068 -1.215) 3.269 3.530 ( -0.579 -5.054 0.445) 5.107 3.963 ( -0.490 1.903 -0.093) 1.967 4.583 ( -0.877 -3.412 0.366) 3.542 4.740 ( 3.662 43.452 -1.223) 43.623 5.205 ( 0.961 11.742 -0.720) 11.803 5.573 ( 0.972 -4.075 -0.303) 4.200 5.661 ( -3.453 11.661 -0.809) 12.188 5.786 ( 3.436 3.393 3.130) 5.754 5.863 ( 0.406 -4.566 -3.349) 5.677 6.100 ( -1.191 -15.042 -0.652) 15.103 6.258 ( -0.226 0.575 1.661) 1.772 6.426 ( -1.082 -0.129 -0.272) 1.123 6.434 ( 0.160 1.708 1.640) 2.373 6.655 ( -0.166 3.010 3.161) 4.368 6.696 ( -2.665 -0.105 0.019) 2.667 6.762 ( 1.171 4.000 -1.298) 4.365 6.801 ( 2.697 5.868 -1.711) 6.680 6.807 ( -5.790 -0.931 -4.145) 7.182 6.923 ( 8.970 1.212 4.729) 10.212 7.073 ( -1.512 3.718 -4.295) 5.879 7.437 ( -0.658 -3.037 0.135) 3.110 7.690 ( 0.773 7.384 -2.828) 7.945 7.847 ( 0.146 -2.070 1.220) 2.407 8.049 ( 0.060 1.413 0.079) 1.417 8.108 ( -0.748 -1.019 -0.548) 1.377 8.151 ( -1.156 4.707 -0.303) 4.856 8.254 ( 0.646 3.252 5.340) 6.285 8.301 ( -0.527 -1.310 0.125) 1.418 8.491 ( 0.185 -6.448 -1.457) 6.613 8.612 ( -1.055 -5.267 0.158) 5.374 8.702 ( 0.686 -1.802 0.255) 1.945 8.924 ( -0.178 4.178 -0.175) 4.186 9.046 ( 2.928 13.837 -0.463) 14.151 9.198 ( 0.376 -0.468 -0.449) 0.750 9.252 ( -0.198 -3.801 0.178) 3.810 9.618 ( 0.557 0.730 -0.280) 0.960 10.113 ( -0.858 -4.254 -0.584) 4.379 11.286 ( -1.105 -4.283 -0.567) 4.460 11.433 ( 1.143 -6.076 2.972) 6.860 ======================= Grid point 141 (66/91) ======================= q-point: (-0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -23.518 1.049 3.198) 23.758 0.737 ( -2.778 4.279 8.724) 10.106 0.880 ( -1.549 6.488 -6.127) 9.057 1.109 ( -3.519 15.930 0.116) 16.314 1.266 ( 4.935 7.187 1.245) 8.807 1.375 ( 2.613 14.584 2.543) 15.033 1.412 ( 0.471 16.360 0.454) 16.374 1.580 ( -0.382 -5.110 1.315) 5.290 1.664 ( 2.224 1.833 -0.237) 2.892 1.811 ( 1.958 3.764 6.056) 7.395 1.903 ( 2.969 -0.332 2.551) 3.928 1.928 ( -1.314 14.997 -8.820) 17.448 2.148 ( 1.148 9.983 3.697) 10.708 2.242 ( -0.720 3.614 -2.104) 4.243 2.301 ( -2.187 7.968 -2.031) 8.509 2.454 ( -0.136 4.949 1.719) 5.241 2.760 ( -1.388 -5.730 6.323) 8.646 2.789 ( -0.340 3.710 -10.650) 11.283 2.936 ( -0.876 14.187 -3.486) 14.635 3.005 ( 0.742 15.450 -0.586) 15.479 3.267 ( 4.333 1.558 1.440) 4.824 3.510 ( -1.360 -5.377 -0.657) 5.585 3.966 ( -0.132 2.219 1.735) 2.820 4.587 ( -0.122 -2.854 2.242) 3.632 4.769 ( 3.884 43.537 -8.427) 44.515 5.234 ( 2.344 11.640 0.074) 11.874 5.569 ( -4.447 11.303 -1.355) 12.222 5.633 ( 4.732 -5.433 1.341) 7.328 5.819 ( 0.970 -3.887 -5.806) 7.054 5.885 ( 1.167 5.625 3.471) 6.712 6.066 ( -1.667 -15.799 0.418) 15.892 6.269 ( -0.189 1.017 1.122) 1.527 6.381 ( -2.800 -1.693 -0.879) 3.388 6.467 ( 1.169 -1.026 2.092) 2.607 6.608 ( -3.253 5.322 -0.532) 6.260 6.671 ( -2.793 0.633 -4.811) 5.599 6.704 ( -2.417 -0.032 2.572) 3.530 6.763 ( -2.373 2.926 -0.955) 3.886 6.840 ( 2.363 7.954 -0.535) 8.315 6.955 ( -1.528 8.998 -6.351) 11.119 7.175 ( 12.148 -2.218 5.271) 13.427 7.428 ( -1.565 -3.436 1.751) 4.162 7.673 ( -0.228 4.859 -1.331) 5.043 7.882 ( 1.772 -0.952 1.110) 2.298 8.025 ( -4.058 -0.094 -0.115) 4.061 8.086 ( 0.679 1.163 -0.964) 1.657 8.111 ( -0.944 4.900 -1.090) 5.108 8.228 ( -3.700 -0.184 -0.973) 3.830 8.401 ( 4.952 -3.552 3.527) 7.041 8.501 ( 0.861 -6.289 1.417) 6.504 8.586 ( -1.412 -4.288 0.942) 4.612 8.727 ( 1.054 -2.128 0.830) 2.516 8.917 ( -0.238 3.731 -0.384) 3.758 9.120 ( 5.179 10.880 -1.397) 12.130 9.201 ( 1.682 3.885 -1.980) 4.674 9.263 ( 0.346 -3.377 1.144) 3.582 9.645 ( 2.110 0.958 1.236) 2.626 9.996 ( -7.931 -1.906 -5.722) 9.964 11.256 ( -1.122 -3.817 -0.205) 3.983 11.556 ( 5.895 -10.330 5.982) 13.313 ======================= Grid point 142 (67/91) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.611 18.811 0.315) 18.824 0.956 ( 1.710 10.846 2.714) 11.311 1.030 ( 1.855 12.422 -4.448) 13.325 1.378 ( -0.657 9.808 1.402) 9.929 1.530 ( 0.301 5.206 -1.079) 5.325 1.601 ( 2.074 13.885 -0.974) 14.073 1.641 ( 2.601 9.530 -1.833) 10.047 1.694 ( -3.692 10.075 -3.126) 11.176 1.792 ( 0.794 13.101 -0.785) 13.148 1.960 ( -2.230 1.532 3.033) 4.065 1.996 ( 1.280 1.724 -0.427) 2.190 2.104 ( -3.422 0.823 -1.344) 3.768 2.262 ( 1.878 10.208 1.824) 10.538 2.451 ( 2.311 13.113 6.244) 14.706 2.509 ( -2.594 12.355 -0.029) 12.624 2.683 ( -0.287 8.795 0.127) 8.801 2.714 ( -0.820 7.059 5.807) 9.178 2.907 ( 1.123 15.753 -10.917) 19.199 3.171 ( 0.361 7.594 -0.123) 7.603 3.329 ( 0.549 -5.890 0.393) 5.929 3.404 ( 0.428 19.607 0.302) 19.614 3.492 ( -0.978 15.293 -0.687) 15.339 4.064 ( -0.123 6.295 1.265) 6.422 4.498 ( 0.019 -6.253 1.255) 6.378 5.333 ( 0.788 3.078 -2.357) 3.956 5.462 ( -1.259 -12.971 -2.814) 13.332 5.562 ( -0.439 20.625 1.612) 20.692 5.724 ( -2.178 1.446 2.331) 3.503 5.797 ( 2.159 10.908 -3.174) 11.564 5.883 ( -0.407 5.390 -0.627) 5.442 6.111 ( 1.754 6.325 0.945) 6.632 6.326 ( 0.466 3.143 1.100) 3.362 6.353 ( -0.508 4.659 0.652) 4.732 6.495 ( -0.049 2.478 3.176) 4.028 6.573 ( -0.841 -0.117 -2.846) 2.970 6.702 ( 0.159 4.898 0.503) 4.927 6.755 ( -0.176 1.120 -0.074) 1.136 6.884 ( 2.671 9.260 2.895) 10.063 6.993 ( -1.091 2.594 -4.306) 5.144 7.096 ( -1.161 12.245 -2.602) 12.572 7.318 ( 1.774 -1.193 1.179) 2.441 7.368 ( -0.746 3.856 -0.092) 3.929 7.725 ( 0.432 1.907 -1.674) 2.574 7.882 ( -1.567 -4.822 -0.362) 5.083 7.940 ( 0.933 0.910 0.397) 1.362 8.059 ( 0.310 -3.829 -0.670) 3.899 8.179 ( 0.195 0.494 -0.169) 0.558 8.256 ( 0.575 -0.230 -0.674) 0.915 8.319 ( -3.831 -3.734 2.734) 6.008 8.365 ( 2.166 -0.388 -1.960) 2.946 8.596 ( 0.836 -0.087 3.090) 3.202 8.685 ( -0.356 -2.752 0.012) 2.775 8.883 ( -0.170 -5.556 -0.791) 5.614 9.153 ( 0.143 -6.372 0.685) 6.410 9.205 ( 0.225 3.682 0.086) 3.690 9.373 ( 0.176 0.496 -2.181) 2.243 9.785 ( 2.451 3.711 0.144) 4.450 9.866 ( -3.577 5.992 -0.606) 7.004 11.144 ( 0.075 -5.935 -0.115) 5.936 11.392 ( 0.221 -12.474 1.993) 12.634 ======================= Grid point 143 (68/91) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 12.560 13.508 1.672) 18.521 0.970 ( -0.150 9.738 -3.452) 10.333 1.064 ( 6.187 10.616 -4.345) 13.033 1.412 ( 1.328 7.220 1.557) 7.505 1.491 ( -3.742 10.430 -3.592) 11.649 1.553 ( -1.514 8.780 0.608) 8.930 1.622 ( -0.431 10.041 -1.836) 10.216 1.684 ( -1.310 11.839 3.230) 12.342 1.778 ( -1.613 6.192 -3.200) 7.155 1.919 ( -4.985 4.927 2.710) 7.514 1.979 ( 0.433 8.620 1.302) 8.728 2.144 ( 3.012 -1.006 4.201) 5.266 2.306 ( 2.764 4.983 -1.885) 6.002 2.453 ( -1.817 15.846 -3.325) 16.293 2.540 ( 2.147 13.538 2.364) 13.909 2.654 ( -2.332 1.049 0.246) 2.569 2.766 ( -2.310 20.237 7.824) 21.819 2.834 ( 2.519 12.163 -7.440) 14.479 3.179 ( 0.917 7.162 -0.513) 7.239 3.317 ( -1.499 -5.538 -0.927) 5.812 3.397 ( -0.747 20.115 -0.982) 20.152 3.491 ( 0.299 14.517 1.861) 14.639 4.074 ( 0.323 6.429 0.235) 6.442 4.503 ( -0.124 -6.428 -0.020) 6.430 5.324 ( 0.163 7.167 -1.271) 7.281 5.450 ( 0.207 -12.216 2.646) 12.501 5.559 ( -1.139 22.036 0.787) 22.079 5.653 ( -6.199 3.656 1.834) 7.427 5.764 ( -0.015 0.926 -2.528) 2.693 5.941 ( 4.227 8.304 0.318) 9.324 6.160 ( 2.229 8.903 -2.300) 9.462 6.313 ( -1.483 3.096 0.415) 3.458 6.387 ( 2.962 3.900 -0.663) 4.942 6.534 ( 1.787 2.330 0.205) 2.943 6.561 ( 0.576 0.525 2.254) 2.385 6.687 ( -0.821 3.236 -0.640) 3.399 6.792 ( 2.934 1.564 -0.072) 3.325 6.876 ( -2.261 5.938 -5.269) 8.254 6.953 ( -2.012 5.037 2.235) 5.866 7.081 ( -0.685 11.019 2.819) 11.394 7.189 ( -7.621 -0.185 -2.220) 7.940 7.428 ( 1.243 1.785 -0.286) 2.194 7.737 ( 2.011 1.652 -0.313) 2.621 7.853 ( -0.917 -2.713 1.013) 3.038 8.003 ( 3.371 -1.822 -0.521) 3.868 8.059 ( 0.883 -2.434 -0.356) 2.613 8.172 ( -0.598 -0.036 -0.037) 0.601 8.256 ( -0.985 -6.134 -0.332) 6.221 8.312 ( 0.801 6.941 3.053) 7.625 8.396 ( 2.542 -3.626 -1.112) 4.566 8.591 ( -1.936 -0.316 -1.374) 2.395 8.677 ( -0.942 -2.868 0.561) 3.070 8.883 ( 0.431 -5.555 0.358) 5.583 9.151 ( -0.489 -6.094 -0.323) 6.122 9.213 ( 0.742 3.442 -0.481) 3.554 9.333 ( -2.747 2.591 -0.159) 3.779 9.736 ( -3.064 5.355 -1.608) 6.375 9.920 ( 3.803 3.278 3.645) 6.204 11.152 ( 0.934 -6.154 -0.195) 6.227 11.375 ( -2.723 -11.589 -0.329) 11.909 ======================= Grid point 145 (69/91) ======================= q-point: ( 0.40 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -0.432 9.545 -6.003) 11.284 1.028 ( 7.782 8.629 3.532) 12.145 1.150 ( 7.484 6.629 -5.351) 11.340 1.381 ( -3.618 4.208 -0.256) 5.556 1.423 ( -1.521 12.364 0.038) 12.457 1.556 ( -3.580 6.357 -3.533) 8.106 1.588 ( 0.792 12.557 2.390) 12.807 1.675 ( -1.652 7.400 3.552) 8.373 1.726 ( 0.865 6.940 -4.785) 8.474 1.868 ( -2.140 12.423 2.690) 12.890 2.045 ( 2.770 12.027 4.284) 13.064 2.190 ( -2.814 2.573 1.368) 4.051 2.327 ( 0.506 1.959 -0.858) 2.197 2.416 ( 2.807 16.025 -3.150) 16.571 2.562 ( -0.104 12.213 0.219) 12.216 2.621 ( -2.551 6.385 1.927) 7.141 2.705 ( -2.323 12.186 -4.658) 13.251 2.917 ( 3.083 13.931 5.796) 15.401 3.201 ( 2.252 4.346 -0.628) 4.935 3.267 ( -2.567 -2.658 -1.565) 4.013 3.374 ( -0.283 20.362 -1.442) 20.415 3.523 ( 0.703 13.959 2.303) 14.165 4.069 ( -0.656 6.786 -0.846) 6.870 4.499 ( -0.163 -5.480 -0.146) 5.484 5.332 ( 1.331 5.765 0.606) 5.948 5.511 ( 1.513 -12.172 5.376) 13.392 5.531 ( -2.003 24.040 -0.164) 24.124 5.597 ( -0.879 4.730 0.780) 4.874 5.738 ( -0.319 -4.255 -3.145) 5.300 6.010 ( 2.113 11.607 0.548) 11.810 6.126 ( -1.629 12.001 -3.513) 12.610 6.296 ( -0.918 3.201 0.524) 3.371 6.429 ( 1.853 2.481 -0.063) 3.097 6.540 ( 0.795 4.145 -2.625) 4.970 6.614 ( -0.621 -1.233 4.737) 4.935 6.701 ( 1.671 0.280 0.280) 1.717 6.755 ( -0.797 -1.824 -3.765) 4.259 6.857 ( 0.687 2.548 -1.939) 3.275 6.918 ( -2.300 7.033 1.431) 7.537 7.034 ( -4.425 5.841 0.107) 7.329 7.148 ( 2.480 7.764 0.912) 8.201 7.425 ( -0.408 0.809 -0.137) 0.917 7.778 ( 2.036 1.590 0.316) 2.603 7.843 ( -0.817 -1.782 -0.700) 2.081 8.023 ( 0.489 -2.723 -0.351) 2.789 8.095 ( 1.912 -0.018 0.027) 1.912 8.158 ( -0.643 -3.152 -0.723) 3.297 8.246 ( -0.761 -2.912 3.635) 4.719 8.358 ( 1.233 4.369 -0.581) 4.577 8.426 ( 1.254 0.783 0.138) 1.484 8.533 ( -1.851 -2.541 -2.154) 3.811 8.657 ( -1.232 -2.797 0.052) 3.057 8.900 ( 0.615 -5.561 0.769) 5.648 9.132 ( -0.779 -5.385 -0.749) 5.493 9.221 ( 0.657 2.676 -0.731) 2.851 9.294 ( -1.273 5.482 0.607) 5.661 9.688 ( -0.991 6.249 -0.967) 6.400 10.012 ( 2.094 -0.335 3.620) 4.195 11.169 ( 0.908 -6.561 -0.191) 6.627 11.311 ( -2.831 -8.812 -1.002) 9.310 ======================= Grid point 146 (70/91) ======================= q-point: (-0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.159 10.319 -2.389) 10.593 1.052 ( -9.942 6.526 3.618) 12.431 1.146 ( -0.898 8.487 -6.916) 10.985 1.363 ( 3.604 5.694 -1.258) 6.855 1.462 ( 0.838 14.689 4.733) 15.456 1.489 ( 1.210 4.385 -1.152) 4.693 1.607 ( 0.099 11.835 0.579) 11.850 1.705 ( 2.474 9.829 -1.140) 10.199 1.720 ( 3.560 5.546 -3.928) 7.672 1.882 ( 0.960 14.629 1.532) 14.740 2.093 ( -6.058 13.082 -0.096) 14.417 2.145 ( 2.750 6.584 4.987) 8.705 2.315 ( -1.122 1.508 0.095) 1.882 2.421 ( -1.721 8.898 -3.742) 9.805 2.569 ( -1.562 17.887 1.295) 18.002 2.597 ( 0.192 9.446 3.186) 9.971 2.665 ( 1.054 4.413 -1.312) 4.723 2.989 ( 1.356 12.036 0.226) 12.115 3.207 ( -2.000 1.802 -1.585) 3.124 3.247 ( 2.862 -0.291 0.081) 2.878 3.368 ( 0.931 20.442 -1.032) 20.489 3.544 ( -0.093 14.399 0.312) 14.403 4.050 ( -0.917 6.951 0.747) 7.051 4.493 ( -0.617 -4.787 0.414) 4.844 5.357 ( 0.738 -1.093 -1.615) 2.085 5.509 ( 0.252 19.968 1.838) 20.054 5.578 ( 2.868 -7.171 -0.984) 7.786 5.622 ( 0.790 11.300 1.086) 11.379 5.698 ( -0.277 -7.835 -1.777) 8.039 6.014 ( -1.153 16.922 -0.081) 16.961 6.083 ( -1.718 8.161 0.852) 8.383 6.294 ( 0.154 2.883 0.629) 2.955 6.441 ( -0.463 3.660 -0.786) 3.772 6.502 ( -3.580 1.494 0.327) 3.893 6.653 ( 0.870 -1.953 1.786) 2.785 6.676 ( 1.355 -0.162 0.546) 1.469 6.776 ( -4.025 -0.687 -3.506) 5.382 6.817 ( 1.373 0.797 1.185) 1.981 6.938 ( 4.436 6.480 -0.641) 7.879 7.023 ( 2.313 9.232 0.855) 9.555 7.189 ( 2.120 7.641 -2.616) 8.350 7.421 ( -0.131 1.353 0.236) 1.379 7.800 ( -0.308 1.810 -2.150) 2.828 7.823 ( 0.454 -1.382 1.084) 1.814 8.025 ( -0.080 -2.944 -0.406) 2.973 8.097 ( -1.589 0.284 -0.316) 1.645 8.151 ( 0.747 -4.881 -0.364) 4.952 8.300 ( 1.381 0.179 4.886) 5.080 8.325 ( -1.296 -1.277 -3.600) 4.034 8.431 ( -1.672 6.649 0.257) 6.861 8.500 ( -1.054 -4.784 0.804) 4.965 8.654 ( 0.943 -2.765 0.284) 2.936 8.910 ( -0.014 -5.562 -0.136) 5.563 9.122 ( 0.118 -5.195 0.219) 5.201 9.216 ( -0.608 2.490 -0.192) 2.570 9.309 ( 2.788 5.606 -0.857) 6.320 9.681 ( 0.882 6.619 -0.249) 6.682 10.043 ( -1.168 -1.779 0.555) 2.200 11.171 ( -0.644 -6.661 -0.285) 6.698 11.287 ( 0.486 -7.634 1.303) 7.759 ======================= Grid point 147 (71/91) ======================= q-point: (-0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -12.495 10.711 1.604) 16.535 0.902 ( -0.071 11.461 1.447) 11.552 1.074 ( -1.253 11.875 -5.019) 12.953 1.393 ( -0.378 8.419 0.109) 8.428 1.505 ( 3.987 7.710 -2.047) 8.918 1.567 ( 1.360 12.179 3.851) 12.845 1.594 ( 1.080 12.010 -1.116) 12.110 1.734 ( 2.297 8.272 -2.236) 8.871 1.766 ( 3.261 9.274 -2.010) 10.034 1.933 ( 2.677 5.496 1.283) 6.247 2.012 ( -2.655 11.194 -0.549) 11.518 2.179 ( -3.050 3.348 2.440) 5.144 2.282 ( -3.491 8.568 -3.397) 9.856 2.364 ( 0.693 8.982 4.239) 9.957 2.546 ( -1.995 11.864 1.024) 12.074 2.650 ( -0.282 12.805 6.084) 14.179 2.690 ( 2.123 2.328 -1.149) 3.354 2.974 ( 0.714 14.264 -6.716) 15.782 3.173 ( -0.419 5.251 -0.868) 5.339 3.297 ( 2.052 -2.621 0.815) 3.427 3.385 ( 1.331 18.985 -0.103) 19.032 3.524 ( -1.090 14.995 -1.520) 15.111 4.054 ( -0.528 6.693 2.335) 7.109 4.489 ( -0.478 -5.255 1.172) 5.405 5.342 ( 0.734 0.211 -2.894) 2.993 5.525 ( -0.750 -13.631 -2.680) 13.912 5.557 ( -0.673 22.224 -1.595) 22.291 5.688 ( 6.518 12.008 -0.155) 13.663 5.722 ( 1.790 -5.458 0.886) 5.812 5.958 ( -4.084 13.405 -0.993) 14.048 6.092 ( -0.769 7.688 3.881) 8.646 6.308 ( 0.287 2.326 0.986) 2.542 6.383 ( -3.275 2.766 -0.475) 4.312 6.478 ( -1.409 3.446 3.413) 5.051 6.636 ( -2.201 -1.839 -3.039) 4.178 6.689 ( -0.106 3.011 -1.136) 3.220 6.776 ( 4.090 0.582 2.008) 4.594 6.800 ( -2.652 4.144 1.994) 5.308 7.010 ( 3.422 8.162 -3.200) 9.411 7.131 ( 4.341 5.175 1.827) 6.997 7.177 ( 4.235 7.000 -4.980) 9.578 7.418 ( -1.218 2.271 0.614) 2.649 7.755 ( -1.472 2.261 -2.386) 3.602 7.859 ( 1.914 -2.323 0.553) 3.061 7.997 ( -3.542 -2.349 -0.039) 4.250 8.063 ( -0.639 -2.199 -0.666) 2.385 8.167 ( 0.850 -0.698 0.291) 1.138 8.272 ( -0.836 -3.104 -2.280) 3.941 8.347 ( -0.015 -2.097 0.831) 2.256 8.382 ( -2.998 2.692 -0.287) 4.040 8.528 ( 1.481 -1.070 4.688) 5.031 8.679 ( 0.957 -2.275 0.323) 2.489 8.898 ( -0.433 -5.522 -1.043) 5.637 9.137 ( 0.556 -5.948 1.055) 6.066 9.205 ( -0.434 3.291 0.207) 3.326 9.358 ( 3.648 2.421 -2.531) 5.057 9.717 ( 3.019 6.526 0.427) 7.203 9.978 ( -4.883 0.695 -2.147) 5.379 11.152 ( -0.804 -6.056 -0.175) 6.112 11.340 ( 2.217 -10.139 3.238) 10.872 ======================= Grid point 148 (72/91) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 1.079 17.059 -0.844) 17.114 1.201 ( 1.959 12.387 -0.062) 12.541 1.288 ( -0.179 11.530 -1.118) 11.586 1.473 ( 0.005 3.792 -0.950) 3.909 1.723 ( 1.016 8.838 0.610) 8.917 1.828 ( 1.092 6.601 -4.509) 8.069 1.856 ( -0.465 7.350 0.059) 7.365 1.923 ( -0.351 13.649 1.225) 13.709 1.950 ( -3.891 -0.974 -0.847) 4.100 1.969 ( 1.275 9.931 -2.711) 10.373 2.117 ( -0.948 5.314 0.745) 5.449 2.228 ( -1.319 10.213 1.834) 10.460 2.373 ( -0.344 5.781 2.239) 6.209 2.586 ( 1.114 1.239 3.988) 4.322 2.688 ( 1.975 2.088 -3.927) 4.866 2.757 ( -1.700 4.941 -3.524) 6.302 3.085 ( 0.866 19.282 9.297) 21.423 3.210 ( -0.209 6.377 0.799) 6.430 3.257 ( -0.067 6.191 -1.570) 6.387 3.323 ( 1.357 8.958 -3.691) 9.784 3.793 ( 0.518 17.115 0.264) 17.125 3.844 ( -1.441 16.729 -1.868) 16.895 4.236 ( -0.392 10.278 1.162) 10.351 4.405 ( -0.416 -2.054 1.504) 2.579 5.138 ( -0.191 -13.583 -0.984) 13.620 5.288 ( -0.091 -3.618 -1.992) 4.131 5.642 ( 0.658 -3.451 1.473) 3.810 5.932 ( 1.072 11.153 0.125) 11.205 6.015 ( -1.610 2.852 -0.642) 3.337 6.107 ( -1.121 13.748 0.879) 13.822 6.167 ( -0.053 1.880 2.287) 2.961 6.374 ( 2.310 1.859 -2.162) 3.670 6.444 ( -0.829 3.984 0.164) 4.073 6.599 ( -0.554 5.684 2.941) 6.423 6.639 ( 0.301 5.115 -1.133) 5.247 6.771 ( -0.575 -0.041 0.139) 0.593 6.857 ( 0.447 4.726 0.248) 4.753 6.887 ( 2.494 2.513 2.201) 4.168 7.156 ( -1.158 11.500 -2.575) 11.842 7.318 ( -1.460 8.194 -1.500) 8.457 7.409 ( 1.149 10.367 0.243) 10.433 7.498 ( 0.976 5.592 -1.114) 5.784 7.701 ( -0.123 -12.244 -0.548) 12.257 7.726 ( -1.331 -1.246 -1.064) 2.111 7.964 ( 1.270 -1.647 0.706) 2.197 7.984 ( -1.031 -0.145 -0.960) 1.416 8.100 ( 0.427 -6.544 0.145) 6.560 8.163 ( -0.359 -1.391 -0.745) 1.618 8.308 ( 0.705 -0.022 0.527) 0.880 8.490 ( -0.596 3.963 -0.595) 4.051 8.608 ( 1.070 1.965 3.002) 3.744 8.661 ( -1.052 2.107 0.040) 2.355 8.751 ( 0.169 -6.021 -0.658) 6.059 9.043 ( 0.161 -3.685 0.158) 3.692 9.245 ( 0.239 -0.094 0.517) 0.577 9.321 ( -0.209 -4.335 -1.661) 4.646 9.885 ( 0.363 5.562 -0.343) 5.585 9.988 ( -0.932 5.127 0.294) 5.219 11.021 ( 0.012 -5.787 -0.086) 5.787 11.179 ( 0.051 -8.504 0.822) 8.544 ======================= Grid point 149 (73/91) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 5.671 13.848 -1.853) 15.079 1.200 ( -0.114 11.810 -3.693) 12.375 1.299 ( 1.694 10.894 0.236) 11.027 1.476 ( 0.268 3.323 -0.484) 3.369 1.699 ( -3.278 8.027 -3.256) 9.261 1.771 ( -3.910 4.178 1.053) 5.818 1.803 ( -1.986 10.912 2.807) 11.441 1.887 ( -3.336 9.391 0.115) 9.966 1.966 ( 1.239 15.073 -2.014) 15.257 1.996 ( 3.554 1.045 4.120) 5.540 2.193 ( 4.502 7.014 0.158) 8.336 2.227 ( 0.321 9.746 4.014) 10.545 2.370 ( -1.630 5.297 0.926) 5.620 2.615 ( -0.602 -1.028 -0.508) 1.295 2.653 ( 0.291 1.192 -4.589) 4.750 2.765 ( 2.288 7.762 2.413) 8.444 3.148 ( -0.908 11.339 -6.052) 12.885 3.187 ( 1.009 17.244 6.290) 18.383 3.254 ( -2.160 4.618 -0.563) 5.129 3.296 ( 0.624 7.232 -3.441) 8.033 3.787 ( -0.650 17.096 -0.765) 17.126 3.845 ( 0.892 16.934 2.487) 17.139 4.247 ( 0.480 10.211 0.746) 10.249 4.409 ( -0.296 -1.875 0.873) 2.089 5.141 ( 0.809 -13.740 0.327) 13.768 5.287 ( 0.897 -3.595 0.154) 3.708 5.626 ( -2.317 -3.155 -1.152) 4.081 5.876 ( -2.522 8.397 -0.514) 8.782 6.023 ( -2.774 13.747 1.292) 14.084 6.136 ( 3.455 7.567 2.186) 8.601 6.216 ( 3.365 -0.533 0.855) 3.513 6.357 ( 0.014 1.352 -3.326) 3.591 6.491 ( 3.776 4.378 0.537) 5.807 6.615 ( -0.233 4.923 2.022) 5.327 6.636 ( 1.072 5.901 -2.053) 6.339 6.760 ( -1.194 0.410 0.596) 1.396 6.860 ( -3.514 2.186 -4.397) 6.038 6.878 ( 1.394 5.125 -0.693) 5.356 7.142 ( -1.506 10.774 1.067) 10.931 7.246 ( -5.371 9.432 2.258) 11.086 7.362 ( -2.163 12.602 -0.538) 12.798 7.497 ( -1.161 3.318 -1.321) 3.756 7.694 ( -0.024 -11.261 0.397) 11.268 7.731 ( 0.423 -3.754 1.664) 4.128 7.963 ( 0.077 -2.201 -1.050) 2.440 8.001 ( 2.218 -1.741 0.253) 2.831 8.147 ( 1.015 -2.560 -1.104) 2.967 8.168 ( 3.277 -0.762 1.587) 3.720 8.314 ( 0.507 -1.301 -1.685) 2.188 8.498 ( 1.258 3.289 1.244) 3.735 8.592 ( -2.988 1.112 -1.481) 3.516 8.663 ( -0.226 3.502 1.441) 3.794 8.752 ( 0.450 -5.952 -0.301) 5.976 9.042 ( -0.159 -3.724 -0.342) 3.743 9.249 ( 0.126 -0.160 -0.600) 0.633 9.307 ( -0.452 -3.741 0.582) 3.813 9.874 ( -0.780 6.981 -0.530) 7.044 10.000 ( 0.930 3.924 1.603) 4.340 11.025 ( 0.410 -6.019 -0.037) 6.033 11.173 ( -1.038 -8.177 -0.077) 8.243 ======================= Grid point 151 (74/91) ======================= q-point: ( 0.40 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 1.746 11.942 -5.234) 13.155 1.186 ( 3.819 8.243 -0.683) 9.111 1.341 ( 2.175 9.709 0.313) 9.955 1.443 ( -2.074 3.937 -1.856) 4.822 1.602 ( -3.100 4.340 -3.142) 6.190 1.710 ( -2.902 9.480 3.444) 10.495 1.845 ( -0.829 13.635 1.377) 13.729 1.877 ( 2.109 8.673 5.197) 10.328 1.959 ( 0.699 14.258 -3.280) 14.647 2.075 ( 1.264 5.285 3.009) 6.211 2.197 ( -1.006 7.214 0.692) 7.316 2.333 ( -2.028 6.449 -0.226) 6.764 2.355 ( 4.514 3.714 4.438) 7.340 2.542 ( -2.207 0.724 -5.536) 6.003 2.680 ( 1.238 3.361 3.609) 5.084 2.835 ( 2.621 9.265 2.512) 9.951 3.060 ( -1.444 7.347 -7.561) 10.641 3.163 ( -3.113 8.890 -5.614) 10.965 3.251 ( 0.435 15.779 3.970) 16.276 3.297 ( 0.464 3.822 0.048) 3.850 3.775 ( -0.106 17.587 -0.243) 17.589 3.893 ( 1.243 18.251 2.808) 18.508 4.254 ( -0.596 10.988 0.638) 11.022 4.411 ( -0.161 -2.609 0.343) 2.636 5.165 ( 1.005 -13.604 0.703) 13.659 5.319 ( 1.658 -3.260 1.304) 3.883 5.564 ( -2.149 -4.894 -2.114) 5.748 5.869 ( 1.390 10.321 0.332) 10.419 5.969 ( -3.304 13.029 0.876) 13.470 6.198 ( -0.434 6.338 4.352) 7.701 6.288 ( 4.138 2.279 -2.124) 5.179 6.347 ( 1.347 0.142 -0.000) 1.354 6.527 ( -0.548 6.238 -0.754) 6.308 6.597 ( -2.721 0.375 -5.540) 6.183 6.641 ( 0.970 5.583 2.349) 6.134 6.740 ( 0.747 4.853 -2.067) 5.327 6.792 ( -0.105 5.650 -0.311) 5.659 6.862 ( -1.743 1.100 -2.406) 3.168 7.055 ( -4.235 6.744 0.227) 7.967 7.262 ( 1.600 14.798 2.803) 15.146 7.348 ( -0.415 11.407 1.265) 11.484 7.466 ( -0.557 2.313 -0.225) 2.390 7.698 ( -0.005 -11.462 0.257) 11.465 7.746 ( -0.123 -5.505 1.036) 5.603 7.963 ( 0.512 -2.089 -0.468) 2.202 8.039 ( 1.700 -3.099 -0.580) 3.582 8.137 ( -0.602 -0.920 -0.421) 1.178 8.248 ( 1.778 2.831 2.917) 4.437 8.313 ( 2.216 -3.444 -2.535) 4.817 8.502 ( -3.732 -0.747 -2.765) 4.705 8.554 ( 2.085 2.341 2.280) 3.876 8.651 ( -1.788 5.928 -0.077) 6.192 8.761 ( 0.487 -6.740 0.139) 6.759 9.034 ( -0.191 -3.315 -0.555) 3.367 9.242 ( -0.145 -0.782 -0.660) 1.033 9.315 ( 0.294 -2.272 1.032) 2.513 9.859 ( -0.252 8.781 -0.399) 8.793 10.032 ( 0.544 1.754 1.755) 2.541 11.033 ( 0.341 -6.468 -0.034) 6.477 11.150 ( -1.003 -6.884 -0.327) 6.965 ======================= Grid point 152 (75/91) ======================= q-point: (-0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.395 13.140 -2.700) 13.420 1.184 ( -3.359 7.742 -0.645) 8.464 1.356 ( -0.448 9.306 -1.173) 9.391 1.436 ( 3.372 4.370 -1.725) 5.783 1.575 ( 2.115 4.676 0.048) 5.132 1.735 ( 3.026 8.802 1.405) 9.413 1.866 ( 0.940 16.333 1.527) 16.431 1.912 ( -0.731 11.145 -0.320) 11.174 1.953 ( 0.945 9.921 -2.263) 10.219 2.098 ( -0.943 4.455 0.829) 4.629 2.191 ( -0.508 8.064 1.524) 8.223 2.296 ( -1.962 2.959 2.055) 4.102 2.426 ( -1.205 -3.221 -3.481) 4.893 2.470 ( -0.788 11.350 2.745) 11.704 2.723 ( 0.024 3.756 1.126) 3.921 2.887 ( 0.417 15.007 -0.139) 15.013 2.975 ( -1.387 2.962 -2.370) 4.039 3.095 ( -0.021 7.100 -0.309) 7.107 3.281 ( 0.736 14.434 0.914) 14.481 3.306 ( 0.605 3.589 -0.394) 3.661 3.776 ( 0.411 17.947 -0.301) 17.955 3.923 ( 0.255 18.573 -0.084) 18.575 4.244 ( -1.444 11.772 1.759) 11.990 4.407 ( -0.627 -3.331 0.419) 3.416 5.177 ( -0.023 -13.354 -0.401) 13.360 5.348 ( 0.640 -2.311 -1.189) 2.677 5.535 ( 0.594 -7.180 0.390) 7.215 5.878 ( -1.159 10.542 -0.339) 10.611 5.970 ( 2.916 12.746 0.843) 13.103 6.204 ( -3.235 5.208 4.872) 7.831 6.288 ( -0.537 6.521 -4.946) 8.202 6.369 ( -2.501 2.383 0.039) 3.455 6.500 ( 1.534 -0.620 1.995) 2.592 6.529 ( -1.592 4.690 0.211) 4.957 6.667 ( -0.870 3.716 0.802) 3.900 6.724 ( 0.357 6.282 -1.446) 6.456 6.812 ( -0.118 0.601 -1.420) 1.547 6.824 ( 1.264 5.299 0.533) 5.474 7.064 ( 5.084 6.111 -0.486) 7.964 7.279 ( -1.363 14.854 0.681) 14.932 7.382 ( 3.833 11.086 -1.762) 11.861 7.467 ( 0.369 2.424 -0.081) 2.453 7.702 ( 0.465 -11.477 -0.165) 11.488 7.751 ( 0.077 -5.507 0.455) 5.527 7.965 ( -0.026 -1.952 -0.555) 2.029 8.039 ( -0.916 -3.413 -0.760) 3.615 8.127 ( -0.324 -0.455 0.444) 0.713 8.274 ( -0.947 -1.598 1.768) 2.564 8.315 ( -1.205 1.224 -3.846) 4.212 8.448 ( 0.537 -0.533 2.357) 2.475 8.587 ( -1.392 -0.074 -1.102) 1.777 8.631 ( 0.906 7.542 1.797) 7.806 8.766 ( -0.005 -7.064 -0.208) 7.067 9.030 ( 0.161 -3.031 -0.172) 3.040 9.236 ( -0.138 -0.747 -0.004) 0.759 9.330 ( 0.922 -2.280 -0.477) 2.505 9.858 ( 0.524 8.965 -0.313) 8.985 10.043 ( -0.778 1.115 0.742) 1.549 11.033 ( -0.221 -6.484 -0.091) 6.489 11.142 ( 0.181 -6.410 0.433) 6.427 ======================= Grid point 153 (76/91) ======================= q-point: (-0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -3.596 13.725 -0.326) 14.192 1.163 ( 1.555 13.326 -0.394) 13.422 1.319 ( -1.394 10.832 -1.855) 11.078 1.476 ( 1.518 3.648 -1.104) 4.103 1.652 ( 4.593 4.884 1.733) 6.925 1.812 ( 3.037 8.951 -1.540) 9.577 1.866 ( 1.260 10.779 -0.259) 10.856 1.916 ( -0.145 9.024 -5.314) 10.474 1.935 ( 1.836 12.760 0.949) 12.926 2.055 ( -3.363 2.678 -1.719) 4.630 2.185 ( -2.560 8.467 0.953) 8.896 2.268 ( -5.288 3.883 0.854) 6.616 2.354 ( -0.200 3.115 0.431) 3.151 2.519 ( 1.248 5.746 4.561) 7.442 2.703 ( -0.228 4.307 -2.870) 5.180 2.833 ( -1.448 4.499 -5.843) 7.515 2.997 ( -0.415 17.662 8.099) 19.435 3.150 ( 2.211 2.158 4.766) 5.680 3.289 ( 0.399 11.207 -2.783) 11.554 3.315 ( 1.286 6.749 -0.721) 6.908 3.782 ( 0.592 17.483 -0.294) 17.495 3.897 ( -1.273 18.124 -2.867) 18.393 4.238 ( -1.357 11.121 2.195) 11.416 4.401 ( -0.685 -2.882 1.151) 3.178 5.160 ( -0.685 -13.226 -1.440) 13.322 5.321 ( -0.552 -3.387 -3.306) 4.766 5.587 ( 2.541 -5.062 2.729) 6.287 5.875 ( 2.149 8.959 -0.448) 9.225 6.035 ( 2.808 12.893 0.189) 13.197 6.169 ( -6.195 3.346 1.016) 7.114 6.187 ( -4.270 6.349 1.231) 7.749 6.345 ( 1.599 1.685 -1.698) 2.877 6.486 ( -2.969 5.095 0.938) 5.971 6.578 ( 0.278 4.433 3.852) 5.880 6.644 ( -0.152 2.524 -1.281) 2.834 6.779 ( 4.891 1.415 0.871) 5.165 6.787 ( -0.412 4.020 0.242) 4.049 6.854 ( -0.304 4.786 1.749) 5.105 7.175 ( 4.646 7.473 -1.871) 8.996 7.271 ( 2.855 11.910 -0.140) 12.248 7.405 ( 1.246 12.176 -4.676) 13.103 7.481 ( 1.479 2.584 0.201) 2.984 7.707 ( 0.402 -11.029 -0.878) 11.071 7.755 ( -0.083 -3.840 -0.507) 3.874 7.953 ( -0.553 -1.363 -0.071) 1.473 8.010 ( -1.144 -2.230 -0.739) 2.613 8.125 ( -1.432 -3.074 1.102) 3.566 8.206 ( -4.063 -1.587 -1.846) 4.737 8.291 ( 0.625 -0.257 -0.182) 0.700 8.510 ( 0.075 -0.323 2.195) 2.219 8.550 ( 0.559 5.936 0.785) 6.014 8.664 ( 0.425 2.715 1.189) 2.994 8.758 ( -0.218 -6.825 -0.714) 6.866 9.036 ( 0.355 -3.298 0.269) 3.328 9.237 ( 0.034 -0.471 0.512) 0.696 9.334 ( 0.701 -3.381 -1.934) 3.958 9.871 ( 1.091 7.476 -0.247) 7.559 10.019 ( -1.906 2.686 -0.215) 3.301 11.026 ( -0.356 -6.018 -0.118) 6.029 11.160 ( 0.786 -7.454 1.158) 7.584 ======================= Grid point 154 (77/91) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.846 11.495 -0.539) 11.539 1.429 ( -0.236 7.874 -0.109) 7.878 1.445 ( 1.269 6.052 -1.322) 6.323 1.583 ( -0.092 6.616 -0.825) 6.668 1.796 ( 3.200 -0.854 0.733) 3.392 1.873 ( -2.151 1.892 -2.711) 3.945 1.922 ( -1.497 -0.385 0.270) 1.569 2.084 ( -0.031 9.687 -1.594) 9.818 2.129 ( -2.119 9.100 -0.271) 9.347 2.143 ( 0.923 0.645 -0.241) 1.152 2.274 ( 0.233 12.791 1.193) 12.848 2.388 ( -1.694 2.074 6.989) 7.485 2.495 ( 1.043 7.854 -1.377) 8.042 2.645 ( -0.334 -1.185 -4.020) 4.204 2.665 ( 0.992 5.888 -3.546) 6.944 2.806 ( -0.184 -1.366 3.420) 3.687 3.300 ( 2.060 6.428 0.896) 6.809 3.336 ( -0.633 3.759 -1.317) 4.033 3.424 ( -0.827 8.822 2.154) 9.119 3.540 ( 0.808 9.032 0.202) 9.070 4.070 ( 0.951 10.394 1.406) 10.532 4.153 ( -2.188 14.128 -3.123) 14.633 4.408 ( 0.415 1.635 3.308) 3.713 4.457 ( -1.007 10.166 0.144) 10.216 4.970 ( -0.282 -1.867 -1.241) 2.259 5.242 ( -0.339 -0.844 -1.542) 1.790 5.577 ( 1.090 -3.459 1.820) 4.057 5.998 ( -1.593 -2.668 0.506) 3.149 6.016 ( 0.865 -1.147 0.374) 1.484 6.246 ( -0.259 4.887 -0.349) 4.907 6.333 ( 0.104 8.661 -1.007) 8.720 6.430 ( 0.331 2.821 -0.998) 3.011 6.542 ( -0.512 5.322 0.699) 5.392 6.657 ( 0.111 -3.472 0.280) 3.485 6.694 ( 0.780 1.639 0.929) 2.039 6.754 ( -0.727 1.345 4.663) 4.907 6.845 ( 0.686 3.311 -3.778) 5.071 7.143 ( 0.863 12.987 1.795) 13.139 7.354 ( 0.363 -3.949 -1.384) 4.200 7.408 ( -0.011 -1.107 -2.530) 2.761 7.488 ( -0.206 -3.825 0.283) 3.841 7.542 ( 0.193 8.837 -0.645) 8.863 7.578 ( -0.450 5.142 0.235) 5.167 7.798 ( -1.010 6.382 -0.324) 6.469 7.905 ( 0.224 -1.936 -1.140) 2.258 8.005 ( 1.717 -2.448 0.716) 3.074 8.039 ( -0.888 3.327 0.456) 3.474 8.139 ( -0.104 -1.703 0.015) 1.706 8.305 ( 0.078 0.379 -0.686) 0.787 8.480 ( -0.139 -2.423 -0.161) 2.433 8.651 ( -0.094 1.663 1.923) 2.544 8.676 ( 0.262 0.398 -0.689) 0.838 8.800 ( -0.065 8.427 0.657) 8.453 9.018 ( 0.183 0.965 -0.224) 1.007 9.205 ( 0.162 -4.004 0.728) 4.073 9.230 ( -0.400 -3.769 -1.458) 4.061 9.976 ( -0.032 2.842 -0.259) 2.854 10.056 ( -0.218 1.385 0.327) 1.440 10.923 ( -0.000 -3.709 -0.018) 3.709 11.043 ( -0.010 -5.103 0.308) 5.112 ======================= Grid point 155 (78/91) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.727 10.038 -1.480) 10.172 1.413 ( -0.730 7.737 -0.562) 7.792 1.462 ( 1.579 6.479 -1.238) 6.783 1.577 ( -0.365 6.336 -0.188) 6.350 1.754 ( -2.997 0.399 -3.285) 4.464 1.862 ( -2.084 3.534 0.989) 4.220 1.946 ( 3.464 -1.037 2.893) 4.631 2.046 ( -1.825 9.223 0.110) 9.403 2.110 ( 0.145 10.173 2.308) 10.433 2.228 ( 4.973 0.334 0.298) 4.993 2.285 ( 0.687 12.359 -0.649) 12.395 2.409 ( -2.645 2.802 5.781) 6.948 2.480 ( 0.759 4.828 -5.075) 7.045 2.612 ( -1.181 3.112 1.050) 3.491 2.662 ( 1.119 3.497 -1.476) 3.957 2.840 ( 1.887 -0.905 0.311) 2.116 3.279 ( -2.479 5.983 -4.259) 7.751 3.323 ( -0.808 3.326 2.030) 3.979 3.433 ( 0.193 6.639 0.567) 6.666 3.560 ( 1.567 11.505 -1.118) 11.665 4.066 ( -0.956 10.478 -1.547) 10.634 4.158 ( 1.904 14.500 3.790) 15.108 4.413 ( -1.107 1.895 -0.812) 2.340 4.467 ( 0.779 9.610 2.085) 9.864 4.970 ( 0.714 -1.941 0.445) 2.115 5.239 ( 0.487 -0.920 0.683) 1.245 5.563 ( -2.287 -3.393 -2.006) 4.557 5.969 ( 0.020 1.013 0.810) 1.298 6.081 ( 2.936 -3.347 0.961) 4.554 6.238 ( -0.466 3.350 0.634) 3.442 6.312 ( -2.539 6.993 0.369) 7.449 6.390 ( -1.646 1.077 -1.547) 2.503 6.575 ( 2.170 4.195 0.938) 4.815 6.665 ( -0.644 -2.302 -1.206) 2.678 6.717 ( 3.225 4.060 0.316) 5.194 6.804 ( 1.851 4.520 3.629) 6.085 6.826 ( 1.262 1.608 -4.460) 4.906 7.132 ( -2.426 11.770 -1.722) 12.140 7.321 ( -3.722 0.234 -1.008) 3.863 7.394 ( -0.228 -3.824 -0.282) 3.841 7.480 ( -0.193 -0.200 0.756) 0.805 7.525 ( -0.544 7.474 0.808) 7.537 7.577 ( -0.567 5.067 -0.379) 5.112 7.728 ( -4.996 3.955 1.537) 6.554 7.903 ( 0.438 -2.183 -0.451) 2.272 8.006 ( 0.521 1.058 -0.478) 1.273 8.111 ( 2.388 -0.493 -0.800) 2.566 8.163 ( 4.459 -1.322 0.578) 4.686 8.296 ( -0.537 0.387 -0.112) 0.671 8.475 ( -0.382 -2.625 0.257) 2.665 8.645 ( -2.159 3.297 0.731) 4.008 8.673 ( 0.521 -0.700 -1.064) 1.376 8.812 ( 0.770 8.421 0.160) 8.457 9.016 ( -0.061 0.910 -0.395) 0.994 9.207 ( -0.293 -4.506 -0.527) 4.546 9.224 ( 0.281 -3.223 1.006) 3.388 9.981 ( 0.586 3.069 0.023) 3.125 10.056 ( -0.219 1.195 0.457) 1.298 10.922 ( -0.004 -3.829 -0.001) 3.829 11.042 ( -0.318 -4.957 0.024) 4.967 ======================= Grid point 157 (79/91) ======================= q-point: ( 0.40 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.831 7.409 -1.258) 7.560 1.399 ( -0.148 9.885 -0.548) 9.902 1.471 ( 0.532 4.252 -1.897) 4.686 1.563 ( -0.410 6.912 -0.186) 6.926 1.687 ( -1.498 4.331 -1.782) 4.917 1.841 ( -0.511 2.927 0.610) 3.033 2.027 ( 1.683 3.499 1.643) 4.216 2.035 ( 0.059 2.304 1.753) 2.895 2.155 ( 1.079 11.996 3.757) 12.617 2.258 ( -0.871 9.964 -1.107) 10.064 2.319 ( 2.757 1.314 -0.516) 3.098 2.393 ( -2.618 1.343 1.147) 3.158 2.448 ( 0.582 6.671 -3.271) 7.452 2.628 ( -1.037 5.630 6.437) 8.614 2.680 ( 1.469 0.197 0.299) 1.512 2.864 ( 2.678 -3.472 -5.376) 6.937 3.190 ( -2.759 8.861 -2.752) 9.679 3.324 ( -1.794 3.198 3.562) 5.112 3.436 ( 1.061 6.599 -2.322) 7.075 3.566 ( 0.258 13.888 -1.350) 13.956 4.051 ( 0.030 9.744 0.094) 9.745 4.225 ( 1.488 14.688 2.732) 15.014 4.381 ( -1.026 -0.068 -1.255) 1.623 4.494 ( -0.369 10.677 2.345) 10.938 4.994 ( 1.016 -2.104 0.711) 2.442 5.277 ( 1.892 -1.078 2.985) 3.695 5.479 ( -3.058 -3.574 -4.544) 6.540 6.016 ( 4.443 3.430 -0.124) 5.614 6.082 ( -4.741 0.027 1.876) 5.099 6.269 ( 0.258 0.352 3.069) 3.100 6.285 ( 1.815 -0.603 0.835) 2.087 6.369 ( 0.493 2.615 -0.860) 2.796 6.581 ( -4.739 0.753 -3.092) 5.708 6.616 ( 1.032 2.336 0.315) 2.573 6.796 ( -0.232 2.350 -4.114) 4.744 6.816 ( 2.825 6.637 4.229) 8.361 6.889 ( 7.371 7.185 -2.706) 10.643 7.034 ( -6.306 10.229 -1.685) 12.134 7.209 ( -4.752 7.045 -1.616) 8.650 7.401 ( 0.227 -9.460 1.954) 9.662 7.490 ( 0.578 -5.486 -2.204) 5.940 7.549 ( 2.420 9.262 0.528) 9.587 7.576 ( -0.865 10.942 3.517) 11.526 7.666 ( -2.756 -0.062 0.260) 2.769 7.911 ( 0.793 -2.161 -0.425) 2.341 8.014 ( 0.419 0.242 -0.280) 0.559 8.110 ( -0.348 -1.248 -0.749) 1.497 8.235 ( 1.387 -4.092 -1.238) 4.494 8.318 ( 2.821 3.404 2.584) 5.121 8.464 ( -1.100 -2.259 -0.556) 2.573 8.607 ( -1.959 4.296 0.345) 4.734 8.670 ( 0.364 -1.387 -1.207) 1.874 8.821 ( -0.029 8.574 0.122) 8.575 9.011 ( 0.072 0.844 -0.523) 0.995 9.200 ( -0.139 -3.014 -0.120) 3.020 9.241 ( 0.414 -4.563 0.970) 4.683 9.993 ( 0.596 3.843 -0.014) 3.888 10.056 ( -0.322 0.140 0.604) 0.699 10.923 ( 0.012 -4.079 0.006) 4.079 11.035 ( -0.304 -4.493 -0.060) 4.504 ======================= Grid point 158 (80/91) ======================= q-point: (-0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -0.574 7.757 -0.651) 7.806 1.399 ( 0.578 11.338 -0.403) 11.360 1.458 ( 0.150 2.564 -0.863) 2.709 1.571 ( 1.517 7.016 -1.054) 7.255 1.680 ( 1.986 5.309 -0.805) 5.726 1.849 ( 1.117 2.162 -0.274) 2.449 2.037 ( -0.798 2.780 0.937) 3.041 2.055 ( -0.315 -0.377 0.091) 0.500 2.197 ( -0.089 13.539 0.910) 13.570 2.229 ( -0.300 11.259 0.108) 11.264 2.322 ( -1.922 0.615 -0.369) 2.051 2.356 ( -1.815 0.667 0.344) 1.964 2.446 ( 0.570 9.370 0.511) 9.401 2.661 ( -0.545 7.023 2.411) 7.445 2.726 ( 0.518 -4.166 5.570) 6.975 2.818 ( 0.941 -4.755 -11.211) 12.214 3.167 ( 1.066 10.471 1.447) 10.625 3.328 ( -1.566 5.240 4.021) 6.788 3.431 ( 1.520 7.207 -3.562) 8.182 3.548 ( -1.626 13.146 0.680) 13.264 4.056 ( 0.201 9.648 -0.103) 9.651 4.250 ( 0.097 13.456 -0.306) 13.460 4.364 ( -0.566 -0.549 0.668) 1.034 4.495 ( -1.747 11.722 2.299) 12.073 5.008 ( 0.330 -2.112 -0.641) 2.232 5.335 ( 0.240 0.292 -0.759) 0.847 5.410 ( 0.853 -5.100 0.198) 5.174 6.000 ( -4.423 1.471 1.413) 4.871 6.102 ( 3.619 2.294 -0.275) 4.294 6.271 ( -0.346 0.212 1.589) 1.640 6.326 ( 0.204 -1.743 -2.752) 3.263 6.396 ( -0.014 2.531 -0.378) 2.559 6.508 ( 1.730 2.677 1.991) 3.758 6.622 ( -1.153 2.878 0.609) 3.159 6.758 ( -1.021 3.526 -0.882) 3.776 6.832 ( -6.928 4.306 2.181) 8.444 6.890 ( -0.942 8.612 -2.640) 9.057 7.023 ( 5.234 10.870 -0.711) 12.086 7.195 ( 4.523 6.203 -0.135) 7.678 7.431 ( 0.848 -9.779 1.673) 9.957 7.469 ( 0.275 -4.934 -2.752) 5.656 7.559 ( -1.963 9.876 -0.120) 10.070 7.620 ( 3.605 10.740 -0.406) 11.337 7.649 ( 0.297 -2.479 1.382) 2.854 7.917 ( 0.488 -2.020 -1.010) 2.310 8.009 ( -0.874 -0.077 0.120) 0.885 8.101 ( -0.301 -1.144 0.204) 1.200 8.222 ( -1.758 -3.404 0.076) 3.831 8.365 ( -0.941 2.769 -1.739) 3.403 8.444 ( 0.793 -0.758 1.169) 1.603 8.598 ( 0.191 3.308 1.160) 3.511 8.667 ( 0.379 -1.349 -0.866) 1.647 8.815 ( -0.959 8.482 0.760) 8.570 9.010 ( 0.353 0.897 -0.470) 1.072 9.198 ( -0.085 -2.575 0.107) 2.579 9.252 ( 0.375 -4.958 -0.189) 4.975 9.996 ( -0.120 4.105 -0.359) 4.122 10.056 ( -0.244 -0.340 0.616) 0.745 10.923 ( 0.011 -4.109 -0.013) 4.109 11.032 ( 0.010 -4.356 0.172) 4.359 ======================= Grid point 159 (81/91) ======================= q-point: (-0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.220 10.728 -0.116) 10.731 1.414 ( 1.471 11.148 -0.599) 11.261 1.453 ( -0.370 2.603 -0.452) 2.667 1.586 ( 1.004 6.560 -1.017) 6.714 1.727 ( 3.321 2.899 -0.138) 4.410 1.878 ( 2.353 0.771 -0.745) 2.586 1.991 ( -3.560 -1.385 -1.659) 4.165 2.058 ( 1.457 5.113 -0.563) 5.346 2.161 ( -1.438 10.312 -2.758) 10.771 2.239 ( -5.330 1.962 -0.283) 5.686 2.256 ( 0.057 12.548 0.955) 12.584 2.354 ( -1.497 1.548 5.719) 6.110 2.472 ( 1.361 9.692 0.796) 9.819 2.661 ( 0.070 5.905 -0.773) 5.956 2.723 ( 0.274 -1.240 -9.979) 10.060 2.778 ( -0.900 -4.521 5.557) 7.221 3.231 ( 3.779 8.815 1.392) 9.691 3.339 ( -0.604 5.310 2.335) 5.832 3.425 ( -0.011 8.795 -0.656) 8.819 3.533 ( -1.018 9.883 1.608) 10.065 4.055 ( 0.169 9.577 -0.324) 9.584 4.224 ( -1.587 14.171 -2.846) 14.540 4.373 ( 0.096 -0.255 2.480) 2.495 4.478 ( -2.084 11.382 1.743) 11.702 4.994 ( -0.471 -1.939 -1.840) 2.714 5.281 ( -1.227 -1.007 -3.796) 4.115 5.500 ( 3.607 -3.798 4.492) 6.901 5.968 ( 0.036 0.745 0.656) 0.994 6.091 ( -4.458 -2.468 0.155) 5.098 6.261 ( -0.859 4.445 -1.652) 4.819 6.324 ( 2.336 5.142 -0.713) 5.693 6.398 ( 2.757 2.872 -1.967) 4.441 6.572 ( -2.165 3.179 2.060) 4.363 6.623 ( 1.909 1.403 3.287) 4.052 6.708 ( -4.561 2.231 0.581) 5.111 6.750 ( -1.652 -0.645 1.837) 2.553 6.870 ( 0.109 6.327 -2.877) 6.952 7.092 ( 2.437 13.025 1.874) 13.383 7.312 ( 5.550 3.513 0.636) 6.599 7.431 ( 0.527 -8.751 -3.321) 9.375 7.477 ( 0.652 -3.893 1.139) 4.108 7.527 ( -0.134 7.045 -0.770) 7.088 7.614 ( -0.505 8.163 -3.410) 8.861 7.734 ( 5.486 3.424 1.154) 6.569 7.912 ( 0.282 -2.365 -1.374) 2.749 7.993 ( -1.146 0.254 0.833) 1.439 8.092 ( -2.252 0.439 1.106) 2.547 8.167 ( -3.811 -2.694 0.270) 4.675 8.316 ( -0.323 2.208 -2.530) 3.373 8.476 ( 0.652 -2.268 0.637) 2.444 8.625 ( 0.759 2.968 2.134) 3.733 8.670 ( 0.758 -0.568 -0.569) 1.105 8.804 ( -1.109 8.317 1.035) 8.454 9.014 ( 0.401 0.946 -0.252) 1.058 9.199 ( -0.013 -2.923 0.320) 2.940 9.248 ( -0.027 -4.733 -1.376) 4.929 9.985 ( -0.481 3.319 -0.470) 3.386 10.057 ( -0.222 0.592 0.402) 0.749 10.923 ( 0.008 -3.877 -0.027) 3.877 11.038 ( 0.192 -4.733 0.402) 4.754 ======================= Grid point 160 (82/91) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -0.021 1.947 -0.094) 1.949 1.467 ( -0.022 0.284 0.291) 0.407 1.645 ( 0.845 9.401 -0.776) 9.470 1.691 ( 0.200 3.312 -0.587) 3.370 1.778 ( 0.862 -0.435 -1.801) 2.043 1.875 ( -0.460 -0.784 -0.706) 1.151 1.942 ( 0.128 1.716 0.946) 1.964 2.076 ( 0.545 -3.095 0.186) 3.149 2.204 ( -1.715 -1.796 3.263) 4.101 2.300 ( 0.548 1.969 -3.946) 4.444 2.353 ( -0.663 8.155 0.086) 8.182 2.568 ( 1.257 5.347 -1.070) 5.596 2.594 ( -0.428 7.473 -1.705) 7.677 2.710 ( -0.251 3.862 4.034) 5.590 2.733 ( -0.215 -3.491 2.241) 4.154 2.779 ( 0.224 4.812 -2.037) 5.230 3.385 ( 2.244 1.937 1.962) 3.555 3.443 ( -0.716 4.871 -1.607) 5.179 3.498 ( -0.558 2.243 -2.836) 3.659 3.682 ( -1.210 4.241 2.275) 4.963 4.222 ( 1.030 4.994 1.639) 5.356 4.384 ( -0.596 2.651 -0.250) 2.729 4.455 ( -0.174 8.404 1.672) 8.570 4.629 ( -0.942 6.261 -1.072) 6.422 5.077 ( -0.730 11.910 -0.087) 11.933 5.249 ( -0.040 1.313 -0.815) 1.546 5.490 ( 0.963 -5.078 1.674) 5.433 5.946 ( -2.858 -3.867 0.781) 4.871 5.960 ( 2.175 -1.987 -0.921) 3.087 6.315 ( -1.749 -6.039 1.056) 6.375 6.360 ( 0.744 -1.130 -1.814) 2.263 6.481 ( 1.539 5.800 -2.183) 6.386 6.631 ( -1.215 2.593 1.076) 3.059 6.643 ( -0.235 2.535 0.105) 2.548 6.706 ( 0.180 0.226 5.165) 5.173 6.824 ( 1.362 5.460 0.249) 5.633 6.967 ( -0.202 7.032 -3.263) 7.755 7.079 ( -1.060 -12.641 -3.813) 13.246 7.363 ( 1.579 7.167 0.530) 7.358 7.402 ( -0.823 -3.130 0.721) 3.316 7.437 ( 1.112 -4.216 -1.444) 4.593 7.640 ( 1.315 4.585 2.512) 5.391 7.773 ( -1.316 7.207 -1.190) 7.422 7.847 ( -0.550 -0.085 -0.085) 0.563 7.920 ( 0.946 4.377 -0.507) 4.507 8.035 ( 1.185 3.613 0.674) 3.862 8.076 ( -0.912 -3.119 0.349) 3.269 8.111 ( -0.449 2.735 0.636) 2.844 8.338 ( -0.267 2.379 -1.073) 2.623 8.433 ( -0.141 -1.923 -0.345) 1.959 8.704 ( 0.395 4.622 0.254) 4.646 8.747 ( -0.321 5.251 0.425) 5.278 8.953 ( 0.098 5.818 0.582) 5.848 9.046 ( -0.008 -0.449 -0.020) 0.450 9.121 ( -0.097 -2.093 -0.541) 2.164 9.163 ( -0.106 -2.999 -0.056) 3.001 9.994 ( -0.111 -0.827 -0.122) 0.844 10.043 ( 0.063 -2.330 0.245) 2.344 10.876 ( -0.002 -0.908 0.043) 0.909 10.963 ( -0.032 -3.035 0.171) 3.040 ======================= Grid point 161 (83/91) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -0.565 2.115 -0.081) 2.191 1.472 ( 0.265 0.599 0.171) 0.677 1.648 ( 0.728 9.571 -1.656) 9.741 1.685 ( -0.466 3.234 -0.320) 3.283 1.764 ( -0.028 0.963 -1.341) 1.651 1.900 ( 1.228 -0.714 -0.355) 1.464 1.928 ( -0.060 1.272 0.569) 1.395 2.098 ( 1.517 -2.479 -0.801) 3.015 2.227 ( 0.041 -3.594 4.425) 5.701 2.276 ( 0.478 2.995 -2.265) 3.786 2.365 ( 0.854 7.514 1.173) 7.653 2.548 ( -0.929 3.525 -1.550) 3.961 2.594 ( 0.225 9.858 -0.262) 9.864 2.730 ( -0.378 3.385 2.074) 3.988 2.737 ( -0.564 0.325 -0.571) 0.865 2.774 ( 0.849 0.294 -0.851) 1.237 3.367 ( -2.511 2.200 -4.013) 5.220 3.429 ( -0.518 5.668 1.365) 5.853 3.494 ( 0.782 2.116 0.952) 2.449 3.714 ( 1.921 3.795 2.200) 4.789 4.218 ( -1.064 5.004 -1.771) 5.413 4.390 ( 0.448 1.709 0.716) 1.906 4.462 ( 0.038 9.162 0.439) 9.172 4.636 ( 1.028 6.395 1.944) 6.763 5.074 ( -0.247 11.372 1.284) 11.447 5.247 ( 0.256 1.606 0.176) 1.636 5.478 ( -2.037 -5.012 -1.668) 5.661 5.937 ( 0.798 -3.715 1.461) 4.071 6.020 ( 4.324 -2.344 -0.016) 4.918 6.275 ( -3.987 -8.348 1.539) 9.378 6.316 ( -3.627 3.408 0.334) 4.988 6.456 ( -0.655 4.605 -3.035) 5.554 6.650 ( 0.377 2.405 1.426) 2.822 6.651 ( 0.274 1.124 -0.295) 1.194 6.748 ( 2.433 0.472 0.532) 2.534 6.894 ( 5.654 5.402 0.172) 7.822 6.956 ( 1.842 6.331 -1.741) 6.820 7.053 ( -0.835 -10.700 1.783) 10.880 7.359 ( -1.275 6.685 -2.726) 7.331 7.385 ( -1.948 -4.247 0.526) 4.702 7.452 ( 1.403 -1.983 -1.345) 2.777 7.643 ( -1.042 4.599 -2.691) 5.430 7.721 ( -3.778 3.209 1.703) 5.242 7.805 ( -2.565 5.704 0.785) 6.303 7.933 ( 0.711 4.242 -0.443) 4.324 8.043 ( 0.371 2.643 -0.965) 2.838 8.081 ( -0.382 -3.347 0.530) 3.410 8.146 ( 2.965 1.030 0.663) 3.208 8.335 ( 0.404 2.551 0.631) 2.659 8.430 ( -0.161 -1.704 0.292) 1.736 8.711 ( 0.375 4.688 -0.619) 4.744 8.739 ( -0.898 5.533 0.462) 5.624 8.963 ( 0.732 5.664 -0.184) 5.714 9.047 ( 0.171 0.175 -0.060) 0.251 9.116 ( -0.210 -2.658 0.290) 2.682 9.159 ( -0.443 -3.190 0.176) 3.225 9.997 ( 0.384 -1.033 0.223) 1.125 10.043 ( -0.153 -2.244 -0.130) 2.253 10.875 ( -0.133 -0.897 0.005) 0.907 10.963 ( -0.074 -2.995 0.065) 2.996 ======================= Grid point 163 (84/91) ======================= q-point: ( 0.40 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -0.370 2.902 0.267) 2.938 1.475 ( -0.007 0.461 -0.307) 0.554 1.639 ( 0.210 9.801 -1.995) 10.004 1.675 ( -0.216 3.784 0.166) 3.794 1.762 ( 0.774 2.603 -0.940) 2.874 1.874 ( -0.952 1.194 -1.052) 1.854 1.978 ( 1.920 -2.298 1.124) 3.198 2.103 ( 0.108 -1.072 -1.144) 1.572 2.265 ( -0.682 -4.093 3.287) 5.294 2.279 ( 1.651 -0.544 -1.214) 2.120 2.403 ( 1.336 9.388 3.072) 9.968 2.516 ( -1.189 6.524 -1.587) 6.819 2.593 ( -0.487 6.532 1.228) 6.664 2.713 ( -0.524 3.604 -2.273) 4.293 2.735 ( -0.221 0.242 0.061) 0.333 2.785 ( 1.541 -1.173 -1.450) 2.419 3.283 ( -2.820 1.858 -1.913) 3.882 3.445 ( 0.306 3.298 2.040) 3.890 3.512 ( 0.330 5.947 0.488) 5.976 3.764 ( 1.279 5.504 1.011) 5.741 4.189 ( -0.394 4.393 -0.740) 4.473 4.362 ( -1.521 -1.948 -2.635) 3.612 4.495 ( 1.424 11.685 1.597) 11.880 4.675 ( 0.133 6.742 3.232) 7.478 5.089 ( 0.328 10.703 1.442) 10.804 5.270 ( 1.378 0.475 2.066) 2.528 5.408 ( -2.434 -3.639 -3.670) 5.712 5.977 ( 0.953 -6.286 1.565) 6.548 6.081 ( 1.516 0.169 0.179) 1.536 6.226 ( 0.071 -5.107 0.241) 5.114 6.270 ( -3.079 0.782 1.109) 3.365 6.429 ( -0.075 1.879 -0.782) 2.037 6.620 ( -2.103 2.574 -1.332) 3.581 6.654 ( -0.055 1.308 -0.054) 1.311 6.814 ( 3.753 1.464 -1.224) 4.210 6.970 ( -0.842 5.923 4.236) 7.330 7.031 ( 7.489 3.131 -1.967) 8.352 7.075 ( 2.123 -4.273 1.977) 5.165 7.248 ( -7.181 6.639 -2.576) 10.114 7.361 ( -0.697 -6.001 -0.516) 6.064 7.449 ( -0.062 4.073 -1.699) 4.414 7.594 ( -0.034 0.285 -2.812) 2.827 7.671 ( -2.633 -0.480 -0.876) 2.816 7.796 ( -0.192 7.949 2.349) 8.291 7.946 ( 0.890 4.650 -0.079) 4.735 8.036 ( -0.253 2.086 -0.769) 2.237 8.073 ( -0.594 -2.662 0.025) 2.727 8.184 ( 0.664 -0.582 0.204) 0.906 8.373 ( 2.071 1.937 2.016) 3.480 8.430 ( -0.319 -1.090 0.207) 1.154 8.707 ( -0.379 5.265 -0.148) 5.281 8.725 ( -0.463 6.395 -0.450) 6.428 8.969 ( 0.122 5.366 -0.391) 5.381 9.047 ( 0.030 1.732 -0.269) 1.753 9.125 ( 0.590 -4.114 0.889) 4.250 9.150 ( -0.592 -3.595 0.057) 3.644 10.009 ( 0.573 -1.673 0.527) 1.845 10.035 ( -0.466 -2.067 -0.447) 2.165 10.873 ( -0.094 -0.907 -0.005) 0.912 10.962 ( -0.096 -2.874 0.032) 2.876 ======================= Grid point 164 (85/91) ======================= q-point: (-0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.224 3.289 0.430) 3.325 1.469 ( -0.204 0.078 -0.190) 0.289 1.629 ( 0.245 10.121 -0.815) 10.157 1.682 ( 1.022 3.730 -0.569) 3.909 1.765 ( 0.624 2.515 -1.170) 2.843 1.864 ( 0.484 0.612 -0.077) 0.784 1.990 ( -1.209 -2.490 -0.064) 2.769 2.089 ( -0.808 -0.912 -0.003) 1.218 2.259 ( -1.929 -2.564 1.232) 3.437 2.298 ( 1.251 -1.977 -0.901) 2.508 2.462 ( 0.330 9.243 2.046) 9.473 2.473 ( -0.014 8.721 -1.837) 8.913 2.612 ( -0.557 3.315 5.204) 6.196 2.677 ( 0.365 3.212 -5.176) 6.103 2.727 ( -0.526 -0.700 0.081) 0.879 2.797 ( 1.217 0.987 -1.884) 2.450 3.253 ( -0.415 1.384 2.214) 2.644 3.467 ( 1.070 -1.556 -0.416) 1.934 3.520 ( 0.333 11.107 0.234) 11.115 3.763 ( -2.081 6.898 0.395) 7.216 4.187 ( 0.034 3.818 0.056) 3.818 4.328 ( -0.242 -1.735 0.036) 1.752 4.515 ( -0.104 10.947 -0.374) 10.953 4.690 ( -1.322 6.971 2.142) 7.411 5.102 ( 0.155 10.842 0.131) 10.844 5.329 ( -0.265 -2.766 -2.026) 3.439 5.336 ( 0.818 -0.635 1.641) 1.940 5.962 ( -3.534 -5.215 2.523) 6.786 6.117 ( 1.882 0.239 -2.997) 3.546 6.223 ( -0.320 -4.242 0.641) 4.302 6.271 ( 2.826 -2.201 0.598) 3.631 6.435 ( 0.525 -0.237 0.192) 0.607 6.594 ( 0.190 4.432 0.554) 4.470 6.651 ( -0.276 0.899 0.040) 0.941 6.824 ( -0.486 3.755 -3.166) 4.935 6.946 ( -7.730 5.559 4.033) 10.340 7.041 ( -2.069 3.848 -0.985) 4.479 7.140 ( 1.359 -4.409 -1.788) 4.948 7.219 ( 7.183 7.102 -0.190) 10.103 7.356 ( 1.201 -5.294 -0.712) 5.475 7.439 ( 0.726 5.169 -0.773) 5.276 7.575 ( -1.692 -3.167 -0.900) 3.701 7.651 ( 2.380 0.269 0.973) 2.585 7.817 ( 0.726 6.898 0.316) 6.943 7.952 ( 0.075 4.735 -0.850) 4.811 8.021 ( -1.161 1.537 0.693) 2.047 8.073 ( 0.726 -1.948 -0.065) 2.080 8.182 ( -1.195 -0.148 0.462) 1.289 8.405 ( -0.940 1.146 -1.054) 1.819 8.425 ( 0.738 -0.664 0.669) 1.197 8.697 ( -0.706 5.900 0.619) 5.974 8.724 ( 0.778 6.350 -0.270) 6.404 8.961 ( -0.871 5.313 0.403) 5.399 9.047 ( 0.186 1.840 -0.232) 1.864 9.138 ( -0.316 -4.540 -0.500) 4.578 9.147 ( 0.814 -3.314 0.461) 3.443 10.019 ( -0.701 -1.960 -0.463) 2.133 10.025 ( 0.470 -1.946 0.571) 2.082 10.872 ( 0.054 -0.924 0.025) 0.926 10.961 ( -0.069 -2.838 0.118) 2.842 ======================= Grid point 165 (86/91) ======================= q-point: (-0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.501 2.884 -0.068) 2.928 1.467 ( -0.283 -0.235 0.529) 0.644 1.634 ( 0.855 9.955 -0.437) 10.001 1.691 ( 0.511 3.215 -0.739) 3.338 1.769 ( 1.305 1.101 -1.605) 2.343 1.889 ( 1.381 0.132 0.660) 1.536 1.944 ( -2.524 -1.348 -0.974) 3.023 2.078 ( -1.011 -2.077 1.041) 2.534 2.226 ( -2.755 -1.646 1.480) 3.535 2.308 ( 1.237 -0.453 -1.839) 2.262 2.400 ( -2.264 9.257 -3.271) 10.075 2.529 ( 1.959 9.162 2.232) 9.632 2.633 ( 0.312 1.896 -5.342) 5.677 2.663 ( -0.119 3.106 6.232) 6.964 2.723 ( -0.719 -0.536 1.655) 1.882 2.793 ( 0.645 3.375 -2.487) 4.242 3.305 ( 2.429 0.893 4.081) 4.833 3.468 ( 0.413 0.272 -2.442) 2.491 3.523 ( 0.569 8.226 -1.957) 8.475 3.713 ( -3.756 6.352 1.676) 7.567 4.191 ( 0.491 4.305 0.736) 4.395 4.357 ( 1.112 -1.602 3.381) 3.903 4.485 ( -1.661 11.420 -2.178) 11.743 4.667 ( -2.116 6.717 0.064) 7.043 5.095 ( -0.511 11.473 -0.795) 11.511 5.271 ( -0.926 -0.057 -2.688) 2.843 5.423 ( 2.956 -3.920 3.997) 6.330 5.939 ( -0.671 -3.661 1.099) 3.881 6.038 ( -5.431 -1.863 -1.622) 5.967 6.297 ( 4.193 -5.943 -0.524) 7.293 6.325 ( 3.380 -0.572 -0.374) 3.448 6.449 ( 2.200 2.709 -1.322) 3.732 6.625 ( 0.221 2.190 3.141) 3.835 6.649 ( -0.220 1.414 1.781) 2.285 6.738 ( -5.880 3.101 -1.990) 6.939 6.839 ( -4.224 6.380 1.911) 7.886 7.008 ( -0.957 6.664 -2.310) 7.117 7.133 ( 0.738 -10.376 -5.355) 11.700 7.313 ( 2.611 7.395 1.726) 8.030 7.389 ( 1.892 -3.395 0.001) 3.886 7.446 ( -0.226 -2.565 -0.682) 2.663 7.574 ( 1.461 3.821 3.463) 5.360 7.742 ( 5.671 -0.502 -0.164) 5.696 7.826 ( 1.100 6.830 -1.366) 7.052 7.935 ( -1.045 4.434 -0.668) 4.605 8.015 ( -0.663 1.849 1.911) 2.740 8.087 ( 0.489 -2.116 -0.094) 2.174 8.145 ( -3.304 1.490 0.671) 3.686 8.364 ( -0.987 2.158 -2.277) 3.289 8.437 ( 0.181 -1.390 -0.216) 1.418 8.696 ( -0.120 5.218 0.780) 5.277 8.740 ( 0.649 5.794 0.304) 5.838 8.952 ( -0.759 5.491 0.921) 5.619 9.047 ( -0.055 0.801 -0.054) 0.805 9.128 ( -0.015 -3.206 -0.880) 3.325 9.161 ( 0.456 -3.303 -0.053) 3.334 10.003 ( -0.586 -1.184 -0.408) 1.382 10.037 ( 0.253 -2.366 0.541) 2.441 10.874 ( 0.113 -0.923 0.055) 0.931 10.962 ( -0.030 -2.936 0.204) 2.944 ======================= Grid point 166 (87/91) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -0.184 -0.138 0.077) 0.243 1.465 ( 0.239 -0.349 0.004) 0.424 1.717 ( 0.083 0.522 -0.470) 0.708 1.738 ( 1.038 -1.116 -1.215) 1.950 1.817 ( 0.068 4.455 -0.273) 4.464 1.865 ( -0.084 -0.578 -0.108) 0.594 1.978 ( 0.268 1.894 0.900) 2.114 2.021 ( 0.186 -2.319 0.435) 2.367 2.182 ( -0.439 1.570 -0.502) 1.705 2.259 ( 0.484 -4.602 -2.053) 5.063 2.511 ( -0.674 6.075 0.001) 6.112 2.593 ( -0.472 -1.847 0.627) 2.006 2.698 ( 0.097 1.574 -0.672) 1.714 2.720 ( 0.621 0.952 -0.409) 1.208 2.787 ( 0.063 4.392 1.055) 4.518 2.838 ( 0.153 0.180 0.632) 0.674 3.414 ( 2.120 1.164 2.627) 3.571 3.441 ( 0.614 -1.597 0.670) 1.837 3.617 ( -2.073 6.197 -2.800) 7.109 3.704 ( -2.005 -1.934 -0.315) 2.803 4.297 ( 0.988 2.942 1.705) 3.541 4.354 ( 0.749 -2.679 1.718) 3.270 4.639 ( -0.668 6.645 -0.682) 6.713 4.701 ( -0.776 0.488 -1.018) 1.370 5.288 ( -0.389 3.351 0.992) 3.516 5.362 ( 0.098 0.224 1.717) 1.734 5.432 ( -0.032 13.451 -0.225) 13.453 5.778 ( -0.870 -13.772 1.181) 13.850 5.971 ( 0.016 2.608 -1.674) 3.099 6.082 ( -0.144 -9.353 -2.061) 9.578 6.450 ( 0.055 5.470 3.237) 6.356 6.536 ( 1.389 -1.445 0.953) 2.219 6.657 ( -0.117 0.893 1.022) 1.362 6.670 ( 0.273 0.059 0.333) 0.435 6.740 ( -1.222 3.336 -0.830) 3.648 6.848 ( -1.256 -7.346 -5.400) 9.203 6.979 ( 0.619 7.087 -1.080) 7.196 7.075 ( 0.046 0.593 -0.363) 0.696 7.316 ( -0.859 -2.713 -0.198) 2.853 7.340 ( 1.296 -3.194 -0.652) 3.508 7.509 ( 1.394 5.793 -0.092) 5.959 7.622 ( 1.154 -5.033 0.944) 5.249 7.854 ( 0.281 5.041 0.673) 5.094 7.944 ( 1.243 -2.582 0.920) 3.010 7.959 ( -1.401 4.854 -0.512) 5.078 8.016 ( -0.646 -1.277 -0.123) 1.436 8.115 ( 0.240 2.845 0.601) 2.918 8.144 ( -0.385 0.107 0.844) 0.934 8.380 ( -0.249 1.567 -0.826) 1.789 8.404 ( -0.237 -1.058 -0.579) 1.229 8.826 ( 0.140 6.725 0.029) 6.726 8.873 ( -0.244 6.594 0.084) 6.599 8.960 ( -0.094 -5.825 0.007) 5.826 8.988 ( -0.017 -3.172 0.285) 3.185 9.135 ( 0.014 0.798 0.097) 0.804 9.137 ( -0.011 0.872 -0.129) 0.881 9.970 ( -0.016 -0.700 0.034) 0.701 9.987 ( 0.093 -2.398 0.156) 2.404 10.880 ( -0.014 1.067 0.083) 1.071 10.913 ( -0.030 -2.059 0.121) 2.063 ======================= Grid point 167 (88/91) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.038 0.138 0.131) 0.194 1.469 ( 0.335 -0.600 -0.246) 0.730 1.718 ( 0.518 1.360 -0.402) 1.510 1.753 ( 1.943 -1.186 -1.822) 2.916 1.818 ( 0.167 4.988 -0.094) 4.991 1.877 ( 1.094 -1.253 -0.029) 1.663 1.973 ( -0.600 2.664 -0.344) 2.753 2.034 ( 0.792 -3.218 -0.419) 3.340 2.187 ( 0.792 1.230 0.944) 1.741 2.256 ( 0.743 -3.865 -1.026) 4.067 2.518 ( 0.547 5.975 1.410) 6.164 2.592 ( -0.502 -0.725 1.024) 1.351 2.682 ( -1.046 0.137 -0.284) 1.093 2.708 ( -0.962 -0.014 -1.414) 1.711 2.793 ( 0.068 4.261 -0.132) 4.264 2.836 ( -0.481 0.708 -0.224) 0.885 3.403 ( -2.024 1.653 -3.543) 4.402 3.438 ( -0.690 -1.700 -1.282) 2.239 3.618 ( 1.381 6.974 3.803) 8.063 3.722 ( 1.837 -2.718 3.674) 4.926 4.294 ( -1.083 2.998 -1.761) 3.642 4.353 ( -0.989 -2.852 -1.404) 3.330 4.649 ( 1.318 6.662 1.143) 6.887 4.711 ( 1.371 0.599 1.473) 2.100 5.276 ( -1.506 4.027 0.924) 4.398 5.361 ( -1.004 -2.437 -0.310) 2.654 5.421 ( -0.879 15.133 0.318) 15.161 5.770 ( -1.286 -14.233 1.638) 14.384 6.008 ( 4.172 1.443 0.062) 4.415 6.085 ( 1.515 -6.888 0.006) 7.052 6.418 ( -4.488 5.555 -0.157) 7.143 6.500 ( -3.336 -1.123 -2.772) 4.480 6.673 ( -0.029 0.454 -0.368) 0.585 6.674 ( 0.466 0.497 0.084) 0.686 6.760 ( 2.295 1.066 1.818) 3.116 6.828 ( 1.341 -6.705 2.781) 7.381 7.024 ( 4.255 6.827 -0.173) 8.046 7.104 ( 3.053 1.951 -0.487) 3.656 7.294 ( -1.611 -1.377 0.505) 2.179 7.358 ( 1.956 -5.373 -1.624) 5.944 7.500 ( -1.408 6.143 -2.824) 6.906 7.617 ( -1.125 -5.159 -2.436) 5.815 7.816 ( -3.236 5.977 -0.402) 6.809 7.899 ( -2.987 -0.456 0.092) 3.023 7.990 ( 1.434 2.125 0.460) 2.604 8.027 ( 0.615 -1.097 0.937) 1.568 8.114 ( -0.286 3.251 -0.276) 3.275 8.156 ( 0.635 -0.648 0.649) 1.115 8.379 ( 0.357 1.666 0.539) 1.787 8.404 ( 0.245 -1.024 0.469) 1.152 8.833 ( 0.708 6.753 -0.294) 6.796 8.870 ( -0.384 6.841 0.491) 6.870 8.966 ( 0.613 -5.819 0.181) 5.854 8.990 ( 0.113 -3.724 0.051) 3.726 9.130 ( -0.502 0.865 -0.063) 1.002 9.131 ( -0.629 1.063 0.044) 1.236 9.970 ( -0.002 -0.750 0.030) 0.751 9.988 ( -0.029 -2.428 -0.180) 2.435 10.879 ( -0.084 1.112 0.027) 1.115 10.913 ( -0.036 -2.079 0.059) 2.080 ======================= Grid point 169 (89/91) ======================= q-point: ( 0.40 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.057 0.287 0.175) 0.341 1.472 ( 0.228 -0.617 -0.351) 0.746 1.726 ( 0.746 2.154 -0.505) 2.335 1.767 ( 1.372 -0.974 -2.113) 2.701 1.819 ( -0.104 5.793 0.037) 5.794 1.885 ( -0.059 -0.747 -0.614) 0.969 1.970 ( 0.409 1.679 0.108) 1.731 2.035 ( -0.051 -4.139 -0.750) 4.207 2.217 ( 0.818 0.771 1.418) 1.809 2.263 ( 0.700 -2.283 -0.393) 2.420 2.550 ( 1.128 4.857 2.227) 5.461 2.593 ( -0.575 1.472 1.198) 1.983 2.664 ( 0.251 -1.593 -2.375) 2.871 2.668 ( -1.708 -0.992 -0.543) 2.048 2.788 ( -0.107 3.706 -0.835) 3.800 2.822 ( -0.751 0.739 -0.170) 1.068 3.334 ( -1.775 3.311 -2.624) 4.583 3.408 ( -0.607 -3.625 -1.792) 4.089 3.688 ( 1.262 8.044 4.509) 9.307 3.796 ( 1.659 -2.143 3.639) 4.538 4.254 ( -0.892 2.541 -1.924) 3.309 4.308 ( -1.299 -2.899 -2.633) 4.126 4.686 ( 1.055 6.653 1.134) 6.831 4.751 ( 0.735 0.388 1.998) 2.164 5.271 ( -0.302 2.665 1.844) 3.255 5.331 ( -1.033 -3.417 -1.294) 3.797 5.415 ( -0.394 16.830 0.741) 16.851 5.762 ( -1.218 -15.065 1.685) 15.208 6.088 ( 3.303 0.859 0.898) 3.529 6.129 ( 2.807 -3.439 0.622) 4.482 6.319 ( -4.491 4.041 -2.254) 6.448 6.409 ( -2.844 -3.673 -2.922) 5.488 6.663 ( -0.422 1.334 -0.473) 1.477 6.671 ( -0.130 0.350 -0.241) 0.445 6.849 ( 4.247 1.984 2.394) 5.263 6.910 ( 2.442 -4.698 4.827) 7.164 7.081 ( -0.219 5.216 2.759) 5.904 7.161 ( 3.464 -0.173 -1.588) 3.815 7.278 ( 0.253 2.194 0.521) 2.269 7.384 ( 1.575 -3.284 -2.347) 4.333 7.413 ( -2.582 4.146 -3.350) 5.923 7.539 ( -3.176 -5.639 -4.998) 8.177 7.764 ( -1.579 6.955 -0.839) 7.181 7.864 ( -1.224 -1.749 0.583) 2.213 8.013 ( 0.802 1.929 0.471) 2.142 8.037 ( -0.302 -0.630 0.642) 0.949 8.107 ( -0.145 4.136 -0.371) 4.155 8.170 ( 0.133 -1.703 0.620) 1.817 8.401 ( 0.960 0.982 1.160) 1.798 8.416 ( 0.222 -0.527 0.700) 0.904 8.839 ( 0.188 7.269 -0.264) 7.277 8.869 ( -0.117 7.218 0.399) 7.230 8.980 ( 0.540 -5.871 0.306) 5.904 8.992 ( -0.005 -4.346 -0.038) 4.347 9.117 ( -0.533 1.446 -0.111) 1.546 9.123 ( -0.265 0.580 0.081) 0.642 9.970 ( 0.006 -1.150 0.080) 1.153 9.984 ( -0.119 -2.280 -0.334) 2.308 10.878 ( -0.077 1.179 0.010) 1.182 10.912 ( -0.057 -2.100 0.039) 2.101 ======================= Grid point 170 (90/91) ======================= q-point: (-0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.179 0.194 0.227) 0.348 1.471 ( 0.010 -0.439 -0.295) 0.529 1.730 ( 0.357 1.744 -0.994) 2.039 1.760 ( -0.038 -0.334 -1.694) 1.727 1.818 ( -0.060 5.523 0.268) 5.530 1.878 ( -0.133 -0.138 0.093) 0.213 1.971 ( -0.791 0.747 0.121) 1.094 2.025 ( -0.508 -4.141 0.181) 4.176 2.226 ( -0.743 1.012 0.378) 1.311 2.272 ( 0.786 -2.121 -0.838) 2.412 2.582 ( -1.017 3.039 -0.991) 3.354 2.595 ( 1.085 2.745 1.566) 3.341 2.632 ( -0.031 0.963 -0.524) 1.097 2.679 ( 2.224 -2.931 -0.958) 3.802 2.777 ( -0.327 3.881 -0.264) 3.904 2.813 ( -0.461 0.080 0.950) 1.059 3.305 ( -0.286 3.797 0.657) 3.864 3.394 ( 0.267 -4.567 -0.457) 4.597 3.727 ( -0.138 8.126 1.010) 8.189 3.823 ( -1.228 -0.971 0.706) 1.717 4.236 ( -0.063 1.731 -0.008) 1.732 4.278 ( -0.067 -2.580 -0.143) 2.585 4.698 ( -0.262 6.595 -0.143) 6.602 4.765 ( -0.667 0.243 0.725) 1.015 5.289 ( -0.059 0.206 1.375) 1.391 5.306 ( -0.373 -1.198 -0.283) 1.286 5.420 ( 0.301 16.931 0.340) 16.937 5.762 ( -0.447 -14.607 1.734) 14.716 6.122 ( 0.092 0.250 -2.392) 2.407 6.145 ( -2.003 -2.494 -0.794) 3.296 6.279 ( 2.459 3.244 1.432) 4.315 6.374 ( 0.743 -4.974 0.642) 5.069 6.657 ( -0.148 1.729 0.154) 1.742 6.668 ( -0.126 0.416 0.044) 0.437 6.900 ( 0.346 3.391 -2.684) 4.338 6.968 ( 1.373 -3.643 -1.168) 4.065 7.072 ( -4.541 4.794 4.409) 7.940 7.145 ( -3.006 -1.258 0.282) 3.270 7.311 ( -0.144 2.354 -1.667) 2.888 7.360 ( 6.186 5.928 -2.002) 8.798 7.407 ( -2.662 -4.965 -1.743) 5.897 7.486 ( 3.428 -5.694 -0.568) 6.670 7.751 ( 0.623 7.321 0.456) 7.361 7.862 ( 0.355 -2.595 0.758) 2.727 8.020 ( -0.376 1.874 -0.229) 1.925 8.040 ( 0.293 -0.322 0.335) 0.550 8.101 ( -0.442 4.438 0.200) 4.465 8.170 ( -0.770 -1.921 0.617) 2.160 8.416 ( -0.287 0.344 -0.342) 0.564 8.422 ( 0.308 -0.045 0.137) 0.340 8.836 ( -0.415 7.450 0.102) 7.463 8.872 ( 0.124 7.313 0.108) 7.315 8.984 ( -0.552 -6.598 -0.005) 6.621 8.988 ( -0.260 -3.364 0.264) 3.384 9.116 ( 0.435 1.363 0.033) 1.431 9.124 ( 0.422 0.351 -0.076) 0.554 9.971 ( -0.017 -1.443 0.046) 1.444 9.980 ( -0.033 -2.062 -0.024) 2.063 10.877 ( -0.002 1.177 0.056) 1.178 10.912 ( -0.061 -2.093 0.090) 2.096 ======================= Grid point 171 (91/91) ======================= q-point: (-0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.97e-04 1.97e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.109 -0.041 0.375) 0.393 1.467 ( -0.143 -0.399 -0.298) 0.518 1.722 ( 0.034 0.819 -1.050) 1.332 1.743 ( -0.315 -0.584 -1.002) 1.202 1.819 ( -0.053 4.845 0.031) 4.845 1.876 ( -0.590 -1.114 0.161) 1.271 1.960 ( -0.069 2.271 0.823) 2.416 2.021 ( -0.591 -3.294 0.865) 3.457 2.205 ( -1.143 1.441 -0.833) 2.019 2.271 ( 0.353 -3.610 -1.711) 4.011 2.541 ( -1.584 4.656 -1.646) 5.186 2.598 ( -0.641 -1.177 0.476) 1.422 2.673 ( 2.634 3.062 0.575) 4.079 2.706 ( 1.598 -0.241 -1.210) 2.019 2.777 ( -0.230 4.010 1.230) 4.201 2.823 ( 0.309 -0.418 1.230) 1.336 3.339 ( 1.873 2.797 3.457) 4.825 3.411 ( 1.166 -3.868 1.122) 4.193 3.695 ( -2.013 6.752 -3.514) 7.873 3.772 ( -3.478 -0.576 -1.424) 3.802 4.253 ( 1.066 2.471 1.996) 3.350 4.307 ( 1.397 -2.861 2.840) 4.267 4.674 ( -1.476 6.683 -1.382) 6.982 4.740 ( -1.825 0.275 -0.908) 2.057 5.282 ( -0.155 1.544 0.142) 1.559 5.331 ( 0.795 -1.861 2.586) 3.284 5.429 ( 0.566 16.731 -0.293) 16.743 5.774 ( 0.015 -13.778 1.230) 13.832 6.035 ( -4.142 1.661 -2.559) 5.144 6.116 ( -0.549 -7.056 -2.926) 7.658 6.374 ( 4.116 3.613 3.277) 6.382 6.447 ( 4.494 -2.719 3.218) 6.160 6.656 ( -0.531 0.958 0.981) 1.470 6.667 ( -0.306 0.019 0.491) 0.578 6.823 ( -3.346 4.959 -5.544) 8.156 6.926 ( -1.877 -3.731 -4.481) 6.126 7.017 ( -3.321 4.671 0.049) 5.731 7.102 ( -2.191 0.253 -0.004) 2.206 7.314 ( 1.635 -1.525 -1.251) 2.562 7.345 ( -1.704 -4.172 -0.496) 4.533 7.460 ( 3.743 5.486 0.952) 6.709 7.566 ( 3.090 -4.670 2.424) 6.102 7.798 ( 3.426 5.898 1.134) 6.914 7.893 ( 2.184 -1.986 0.816) 3.063 8.000 ( -1.455 2.853 -0.603) 3.259 8.038 ( -0.796 -0.627 -0.194) 1.032 8.101 ( 0.087 3.549 0.951) 3.675 8.155 ( -1.392 -1.155 0.741) 1.955 8.398 ( -0.550 1.274 -1.357) 1.941 8.418 ( -0.315 -0.724 -0.793) 1.119 8.829 ( -0.483 7.203 0.158) 7.221 8.875 ( 0.056 6.856 0.026) 6.856 8.969 ( -0.763 -5.918 -0.142) 5.968 8.987 ( -0.258 -3.375 0.435) 3.412 9.128 ( 0.615 1.092 0.087) 1.257 9.133 ( 0.548 0.405 -0.149) 0.698 9.970 ( -0.055 -1.070 -0.021) 1.072 9.983 ( 0.119 -2.232 0.318) 2.258 10.879 ( 0.037 1.109 0.101) 1.114 10.912 ( -0.046 -2.067 0.141) 2.073 =================== 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 3/19500 10.0 89.911 81.882 63.495 0.000 -6.087 0.000 3/19500 20.0 22.098 44.049 16.243 0.000 -1.278 0.000 3/19500 30.0 10.851 28.783 8.566 0.000 -0.526 0.000 3/19500 40.0 6.994 21.129 5.735 0.000 -0.294 0.000 3/19500 50.0 5.090 16.398 4.239 0.000 -0.195 0.000 3/19500 60.0 3.964 13.197 3.313 0.000 -0.143 0.000 3/19500 70.0 3.226 10.935 2.694 0.000 -0.112 0.000 3/19500 80.0 2.711 9.285 2.257 0.000 -0.092 0.000 3/19500 90.0 2.334 8.046 1.938 0.000 -0.077 0.000 3/19500 100.0 2.048 7.092 1.696 0.000 -0.066 0.000 3/19500 110.0 1.824 6.338 1.507 0.000 -0.058 0.000 3/19500 120.0 1.645 5.730 1.356 0.000 -0.052 0.000 3/19500 130.0 1.498 5.230 1.233 0.000 -0.047 0.000 3/19500 140.0 1.375 4.812 1.131 0.000 -0.042 0.000 3/19500 150.0 1.272 4.457 1.044 0.000 -0.039 0.000 3/19500 160.0 1.183 4.153 0.971 0.000 -0.036 0.000 3/19500 170.0 1.107 3.888 0.907 0.000 -0.033 0.000 3/19500 180.0 1.040 3.656 0.851 0.000 -0.031 0.000 3/19500 190.0 0.980 3.451 0.802 0.000 -0.029 0.000 3/19500 200.0 0.927 3.268 0.759 0.000 -0.027 0.000 3/19500 210.0 0.880 3.104 0.720 0.000 -0.026 0.000 3/19500 220.0 0.838 2.957 0.685 0.000 -0.025 0.000 3/19500 230.0 0.799 2.823 0.653 0.000 -0.023 0.000 3/19500 240.0 0.764 2.700 0.624 0.000 -0.022 0.000 3/19500 250.0 0.732 2.588 0.598 0.000 -0.021 0.000 3/19500 260.0 0.703 2.486 0.574 0.000 -0.020 0.000 3/19500 270.0 0.675 2.391 0.551 0.000 -0.020 0.000 3/19500 280.0 0.650 2.303 0.531 0.000 -0.019 0.000 3/19500 290.0 0.627 2.222 0.512 0.000 -0.018 0.000 3/19500 300.0 0.606 2.146 0.494 0.000 -0.017 0.000 3/19500 310.0 0.585 2.075 0.477 0.000 -0.017 0.000 3/19500 320.0 0.567 2.009 0.462 0.000 -0.016 0.000 3/19500 330.0 0.549 1.947 0.448 0.000 -0.016 0.000 3/19500 340.0 0.532 1.889 0.434 0.000 -0.015 0.000 3/19500 350.0 0.517 1.834 0.421 0.000 -0.015 0.000 3/19500 360.0 0.502 1.782 0.409 0.000 -0.014 0.000 3/19500 370.0 0.488 1.734 0.398 0.000 -0.014 0.000 3/19500 380.0 0.475 1.687 0.387 0.000 -0.013 0.000 3/19500 390.0 0.463 1.644 0.377 0.000 -0.013 0.000 3/19500 400.0 0.451 1.602 0.367 0.000 -0.013 0.000 3/19500 410.0 0.440 1.563 0.358 0.000 -0.012 0.000 3/19500 420.0 0.429 1.525 0.350 0.000 -0.012 0.000 3/19500 430.0 0.419 1.489 0.341 0.000 -0.012 0.000 3/19500 440.0 0.409 1.455 0.333 0.000 -0.012 0.000 3/19500 450.0 0.400 1.423 0.326 0.000 -0.011 0.000 3/19500 460.0 0.391 1.391 0.319 0.000 -0.011 0.000 3/19500 470.0 0.383 1.362 0.312 0.000 -0.011 0.000 3/19500 480.0 0.375 1.333 0.305 0.000 -0.011 0.000 3/19500 490.0 0.367 1.306 0.299 0.000 -0.010 0.000 3/19500 500.0 0.360 1.279 0.293 0.000 -0.010 0.000 3/19500 510.0 0.352 1.254 0.287 0.000 -0.010 0.000 3/19500 520.0 0.346 1.230 0.282 0.000 -0.010 0.000 3/19500 530.0 0.339 1.207 0.276 0.000 -0.010 0.000 3/19500 540.0 0.333 1.184 0.271 0.000 -0.009 0.000 3/19500 550.0 0.326 1.163 0.266 0.000 -0.009 0.000 3/19500 560.0 0.321 1.142 0.261 0.000 -0.009 0.000 3/19500 570.0 0.315 1.122 0.257 0.000 -0.009 0.000 3/19500 580.0 0.309 1.102 0.252 0.000 -0.009 0.000 3/19500 590.0 0.304 1.083 0.248 0.000 -0.009 0.000 3/19500 600.0 0.299 1.065 0.244 0.000 -0.008 0.000 3/19500 610.0 0.294 1.048 0.240 0.000 -0.008 0.000 3/19500 620.0 0.289 1.031 0.236 0.000 -0.008 0.000 3/19500 630.0 0.285 1.014 0.232 0.000 -0.008 0.000 3/19500 640.0 0.280 0.999 0.228 0.000 -0.008 0.000 3/19500 650.0 0.276 0.983 0.225 0.000 -0.008 0.000 3/19500 660.0 0.272 0.968 0.221 0.000 -0.008 0.000 3/19500 670.0 0.268 0.954 0.218 0.000 -0.007 0.000 3/19500 680.0 0.264 0.940 0.215 0.000 -0.007 0.000 3/19500 690.0 0.260 0.926 0.212 0.000 -0.007 0.000 3/19500 700.0 0.256 0.913 0.209 0.000 -0.007 0.000 3/19500 710.0 0.252 0.900 0.206 0.000 -0.007 0.000 3/19500 720.0 0.249 0.887 0.203 0.000 -0.007 0.000 3/19500 730.0 0.246 0.875 0.200 0.000 -0.007 0.000 3/19500 740.0 0.242 0.863 0.197 0.000 -0.007 0.000 3/19500 750.0 0.239 0.852 0.195 0.000 -0.007 0.000 3/19500 760.0 0.236 0.841 0.192 0.000 -0.007 0.000 3/19500 770.0 0.233 0.830 0.190 0.000 -0.007 0.000 3/19500 780.0 0.230 0.819 0.187 0.000 -0.006 0.000 3/19500 790.0 0.227 0.809 0.185 0.000 -0.006 0.000 3/19500 800.0 0.224 0.798 0.182 0.000 -0.006 0.000 3/19500 810.0 0.221 0.789 0.180 0.000 -0.006 0.000 3/19500 820.0 0.218 0.779 0.178 0.000 -0.006 0.000 3/19500 830.0 0.216 0.770 0.176 0.000 -0.006 0.000 3/19500 840.0 0.213 0.760 0.174 0.000 -0.006 0.000 3/19500 850.0 0.211 0.751 0.172 0.000 -0.006 0.000 3/19500 860.0 0.208 0.743 0.170 0.000 -0.006 0.000 3/19500 870.0 0.206 0.734 0.168 0.000 -0.006 0.000 3/19500 880.0 0.203 0.726 0.166 0.000 -0.006 0.000 3/19500 890.0 0.201 0.718 0.164 0.000 -0.006 0.000 3/19500 900.0 0.199 0.710 0.162 0.000 -0.006 0.000 3/19500 910.0 0.197 0.702 0.160 0.000 -0.005 0.000 3/19500 920.0 0.195 0.694 0.159 0.000 -0.005 0.000 3/19500 930.0 0.193 0.687 0.157 0.000 -0.005 0.000 3/19500 940.0 0.190 0.679 0.155 0.000 -0.005 0.000 3/19500 950.0 0.188 0.672 0.153 0.000 -0.005 0.000 3/19500 960.0 0.186 0.665 0.152 0.000 -0.005 0.000 3/19500 970.0 0.185 0.658 0.150 0.000 -0.005 0.000 3/19500 980.0 0.183 0.652 0.149 0.000 -0.005 0.000 3/19500 990.0 0.181 0.645 0.147 0.000 -0.005 0.000 3/19500 1000.0 0.179 0.639 0.146 0.000 -0.005 0.000 3/19500 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:32:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|