----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:55:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.827540935000000 5.395203360000000 4.007236265000000 b 2.827540935000000 -5.395203360000000 4.007236265000000 c 2.827540935000000 5.395203360000000 -4.007236265000000 Atomic positions (fractional): *1 Li 0.94508532506211 0.69508532506211 0.25000000000000 6.941 2 Li 0.05491467493789 0.30491467493789 0.75000000000000 6.941 *3 B 0.15482910068240 0.98812567169874 0.16670342898366 10.811 *4 B 0.12334508300582 0.30462378011506 0.32472969051209 10.811 5 B 0.47989408960296 0.30462378011506 0.68127869710923 10.811 6 B 0.87665491699417 0.69537621988495 0.67527030948791 10.811 *7 B 0.72838279777882 0.99909347600836 0.40885213632202 10.811 8 B 0.09024133968634 0.99909347600836 0.77071067822954 10.811 9 B 0.87665491699417 0.20138460750627 0.18127869710923 10.811 10 B 0.47989408960296 0.79861539249373 0.17527030948791 10.811 11 B 0.90975866031367 0.68046933854320 0.90885213632202 10.811 12 B 0.84517089931760 0.01187432830126 0.83329657101634 10.811 *13 B 0.74866072028451 0.82244972028898 0.92621099999553 10.811 14 B 0.09024133968634 0.31953066145680 0.09114786367798 10.811 15 B 0.52010591039704 0.69537621988495 0.31872130289077 10.811 16 B 0.32142224271508 0.98812567169874 0.33329657101634 10.811 17 B 0.12334508300582 0.79861539249373 0.81872130289077 10.811 *18 B 0.61351832341201 0.36351832341202 0.25000000000000 10.811 19 B 0.27161720222118 0.68046933854320 0.27071067822954 10.811 20 B 0.67857775728492 0.01187432830126 0.66670342898366 10.811 21 B 0.60376127970655 0.17755027971102 0.42621099999553 10.811 22 B 0.90975866031367 0.00090652399164 0.22928932177046 10.811 23 B 0.72838279777882 0.31953066145680 0.72928932177046 10.811 24 B 0.39623872029345 0.82244972028898 0.57378900000447 10.811 25 B 0.52010591039704 0.20138460750627 0.82472969051209 10.811 26 B 0.25133927971549 0.17755027971102 0.07378900000447 10.811 27 B 0.38648167658799 0.63648167658799 0.75000000000000 10.811 28 B 0.27161720222118 0.00090652399164 0.59114786367798 10.811 *29 C 0.24809151801831 0.62946178068152 0.61862973733680 12.011 30 C 0.51083204334472 0.62946178068152 0.88137026266320 12.011 31 C 0.48916795665528 0.37053821931848 0.11862973733680 12.011 32 C 0.75190848198169 0.37053821931848 0.38137026266320 12.011 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.655081870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790406720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.014472530000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.25000000000000 0.69508532506211 6.941 > 1 2 Li 0.00000000000000 0.75000000000000 0.30491467493789 6.941 > 2 3 Li 0.50000000000000 0.75000000000000 0.19508532506211 6.941 > 1 4 Li 0.50000000000000 0.25000000000000 0.80491467493789 6.941 > 2 *5 B 0.50000000000000 0.66670342898366 0.48812567169874 10.811 > 3 *6 B 0.75300419381066 0.57172549670143 0.55161958630439 10.811 > 4 7 B 0.75300419381066 0.92827450329857 0.55161958630439 10.811 > 5 8 B 0.24699580618934 0.42827450329857 0.44838041369561 10.811 > 6 *9 B 0.33978140727578 0.06907072904624 0.65931206873258 10.811 > 7 10 B 0.83978140727578 0.93092927095376 0.15931206873258 10.811 > 8 11 B 0.75300419381066 0.42827450329857 0.44838041369561 10.811 > 9 12 B 0.24699580618934 0.92827450329857 0.55161958630439 10.811 > 10 13 B 0.83978140727578 0.06907072904624 0.84068793126742 10.811 > 11 14 B 0.50000000000000 0.33329657101634 0.51187432830126 10.811 > 12 *15 B 0.00000000000000 0.92621099999553 0.82244972028898 10.811 > 13 16 B 0.16021859272422 0.93092927095376 0.15931206873258 10.811 > 14 17 B 0.24699580618934 0.07172549670143 0.44838041369561 10.811 > 15 18 B 0.50000000000000 0.83329657101634 0.48812567169874 10.811 > 16 19 B 0.24699580618934 0.57172549670143 0.55161958630439 10.811 > 17 *20 B 0.00000000000000 0.25000000000000 0.36351832341202 10.811 > 18 21 B 0.33978140727578 0.93092927095376 0.34068793126742 10.811 > 19 22 B 0.50000000000000 0.16670342898366 0.51187432830126 10.811 > 20 23 B 0.50000000000000 0.92621099999553 0.67755027971102 10.811 > 21 24 B 0.16021859272422 0.06907072904624 0.84068793126742 10.811 > 22 25 B 0.66021859272422 0.06907072904624 0.65931206873258 10.811 > 23 26 B 0.50000000000000 0.07378900000447 0.32244972028898 10.811 > 24 27 B 0.75300419381066 0.07172549670143 0.44838041369561 10.811 > 25 28 B 0.00000000000000 0.07378900000447 0.17755027971102 10.811 > 26 29 B 0.00000000000000 0.75000000000000 0.63648167658799 10.811 > 27 30 B 0.66021859272422 0.93092927095376 0.34068793126742 10.811 > 28 31 B 0.00000000000000 0.16670342898366 0.98812567169874 10.811 > 3 32 B 0.25300419381066 0.07172549670143 0.05161958630439 10.811 > 4 33 B 0.25300419381066 0.42827450329857 0.05161958630439 10.811 > 5 34 B 0.74699580618934 0.92827450329857 0.94838041369561 10.811 > 6 35 B 0.83978140727578 0.56907072904624 0.15931206873258 10.811 > 7 36 B 0.33978140727578 0.43092927095376 0.65931206873258 10.811 > 8 37 B 0.25300419381066 0.92827450329857 0.94838041369561 10.811 > 9 38 B 0.74699580618934 0.42827450329857 0.05161958630439 10.811 > 10 39 B 0.33978140727578 0.56907072904624 0.34068793126742 10.811 > 11 40 B 0.00000000000000 0.83329657101634 0.01187432830126 10.811 > 12 41 B 0.50000000000000 0.42621099999553 0.32244972028898 10.811 > 13 42 B 0.66021859272422 0.43092927095376 0.65931206873258 10.811 > 14 43 B 0.74699580618934 0.57172549670143 0.94838041369561 10.811 > 15 44 B 0.00000000000000 0.33329657101634 0.98812567169874 10.811 > 16 45 B 0.74699580618934 0.07172549670143 0.05161958630439 10.811 > 17 46 B 0.50000000000000 0.75000000000000 0.86351832341201 10.811 > 18 47 B 0.83978140727578 0.43092927095376 0.84068793126742 10.811 > 19 48 B 0.00000000000000 0.66670342898366 0.01187432830126 10.811 > 20 49 B 0.00000000000000 0.42621099999553 0.17755027971102 10.811 > 21 50 B 0.66021859272422 0.56907072904624 0.34068793126742 10.811 > 22 51 B 0.16021859272422 0.56907072904624 0.15931206873258 10.811 > 23 52 B 0.00000000000000 0.57378900000447 0.82244972028898 10.811 > 24 53 B 0.25300419381066 0.57172549670143 0.94838041369561 10.811 > 25 54 B 0.50000000000000 0.57378900000447 0.67755027971102 10.811 > 26 55 B 0.50000000000000 0.25000000000000 0.13648167658798 10.811 > 27 56 B 0.16021859272422 0.43092927095376 0.84068793126742 10.811 > 28 *57 C 0.50000000000000 0.11862973733680 0.12946178068152 12.011 > 29 58 C 0.00000000000000 0.88137026266320 0.62946178068152 12.011 > 30 59 C 0.00000000000000 0.11862973733680 0.37053821931848 12.011 > 31 60 C 0.50000000000000 0.88137026266320 0.87053821931848 12.011 > 32 61 C 0.00000000000000 0.61862973733680 0.62946178068152 12.011 > 29 62 C 0.50000000000000 0.38137026266320 0.12946178068152 12.011 > 30 63 C 0.50000000000000 0.61862973733680 0.87053821931848 12.011 > 31 64 C 0.00000000000000 0.38137026266320 0.37053821931848 12.011 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.310163740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790406720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.014472530000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.25000000000000 0.69508532506211 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.69508532506211 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.30491467493789 6.941 > 2 4 Li 0.50000000000000 0.75000000000000 0.30491467493789 6.941 > 2 5 Li 0.25000000000000 0.75000000000000 0.19508532506211 6.941 > 1 6 Li 0.75000000000000 0.75000000000000 0.19508532506211 6.941 > 1 7 Li 0.25000000000000 0.25000000000000 0.80491467493789 6.941 > 2 8 Li 0.75000000000000 0.25000000000000 0.80491467493789 6.941 > 2 *9 B 0.25000000000000 0.66670342898366 0.48812567169874 10.811 > 3 10 B 0.75000000000000 0.66670342898366 0.48812567169874 10.811 > 3 *11 B 0.37650209690533 0.57172549670143 0.55161958630439 10.811 > 4 12 B 0.87650209690533 0.57172549670143 0.55161958630439 10.811 > 4 13 B 0.37650209690533 0.92827450329857 0.55161958630439 10.811 > 5 14 B 0.87650209690533 0.92827450329857 0.55161958630439 10.811 > 5 15 B 0.12349790309467 0.42827450329857 0.44838041369561 10.811 > 6 16 B 0.62349790309467 0.42827450329857 0.44838041369561 10.811 > 6 *17 B 0.16989070363789 0.06907072904624 0.65931206873258 10.811 > 7 18 B 0.66989070363789 0.06907072904624 0.65931206873258 10.811 > 7 19 B 0.41989070363789 0.93092927095376 0.15931206873258 10.811 > 8 20 B 0.91989070363789 0.93092927095376 0.15931206873258 10.811 > 8 21 B 0.37650209690533 0.42827450329857 0.44838041369561 10.811 > 9 22 B 0.87650209690533 0.42827450329857 0.44838041369561 10.811 > 9 23 B 0.12349790309467 0.92827450329857 0.55161958630439 10.811 > 10 24 B 0.62349790309467 0.92827450329857 0.55161958630439 10.811 > 10 25 B 0.41989070363789 0.06907072904624 0.84068793126742 10.811 > 11 26 B 0.91989070363789 0.06907072904624 0.84068793126742 10.811 > 11 27 B 0.25000000000000 0.33329657101634 0.51187432830126 10.811 > 12 28 B 0.75000000000000 0.33329657101634 0.51187432830126 10.811 > 12 *29 B 0.00000000000000 0.92621099999553 0.82244972028898 10.811 > 13 30 B 0.50000000000000 0.92621099999553 0.82244972028898 10.811 > 13 31 B 0.08010929636211 0.93092927095376 0.15931206873258 10.811 > 14 32 B 0.58010929636211 0.93092927095376 0.15931206873258 10.811 > 14 33 B 0.12349790309467 0.07172549670143 0.44838041369561 10.811 > 15 34 B 0.62349790309467 0.07172549670143 0.44838041369561 10.811 > 15 35 B 0.25000000000000 0.83329657101634 0.48812567169874 10.811 > 16 36 B 0.75000000000000 0.83329657101634 0.48812567169874 10.811 > 16 37 B 0.12349790309467 0.57172549670143 0.55161958630439 10.811 > 17 38 B 0.62349790309467 0.57172549670143 0.55161958630439 10.811 > 17 *39 B 0.00000000000000 0.25000000000000 0.36351832341202 10.811 > 18 40 B 0.50000000000000 0.25000000000000 0.36351832341202 10.811 > 18 41 B 0.16989070363789 0.93092927095376 0.34068793126742 10.811 > 19 42 B 0.66989070363789 0.93092927095376 0.34068793126742 10.811 > 19 43 B 0.25000000000000 0.16670342898366 0.51187432830126 10.811 > 20 44 B 0.75000000000000 0.16670342898366 0.51187432830126 10.811 > 20 45 B 0.25000000000000 0.92621099999553 0.67755027971102 10.811 > 21 46 B 0.75000000000000 0.92621099999553 0.67755027971102 10.811 > 21 47 B 0.08010929636211 0.06907072904624 0.84068793126742 10.811 > 22 48 B 0.58010929636211 0.06907072904624 0.84068793126742 10.811 > 22 49 B 0.33010929636211 0.06907072904624 0.65931206873258 10.811 > 23 50 B 0.83010929636211 0.06907072904624 0.65931206873258 10.811 > 23 51 B 0.25000000000000 0.07378900000447 0.32244972028898 10.811 > 24 52 B 0.75000000000000 0.07378900000447 0.32244972028898 10.811 > 24 53 B 0.37650209690533 0.07172549670143 0.44838041369561 10.811 > 25 54 B 0.87650209690533 0.07172549670143 0.44838041369561 10.811 > 25 55 B 0.00000000000000 0.07378900000447 0.17755027971102 10.811 > 26 56 B 0.50000000000000 0.07378900000447 0.17755027971102 10.811 > 26 57 B 0.00000000000000 0.75000000000000 0.63648167658799 10.811 > 27 58 B 0.50000000000000 0.75000000000000 0.63648167658799 10.811 > 27 59 B 0.33010929636211 0.93092927095376 0.34068793126742 10.811 > 28 60 B 0.83010929636211 0.93092927095376 0.34068793126742 10.811 > 28 61 B 0.00000000000000 0.16670342898366 0.98812567169874 10.811 > 3 62 B 0.50000000000000 0.16670342898366 0.98812567169874 10.811 > 3 63 B 0.12650209690533 0.07172549670143 0.05161958630439 10.811 > 4 64 B 0.62650209690533 0.07172549670143 0.05161958630439 10.811 > 4 65 B 0.12650209690533 0.42827450329857 0.05161958630439 10.811 > 5 66 B 0.62650209690533 0.42827450329857 0.05161958630439 10.811 > 5 67 B 0.37349790309467 0.92827450329857 0.94838041369561 10.811 > 6 68 B 0.87349790309467 0.92827450329857 0.94838041369561 10.811 > 6 69 B 0.41989070363789 0.56907072904624 0.15931206873258 10.811 > 7 70 B 0.91989070363789 0.56907072904624 0.15931206873258 10.811 > 7 71 B 0.16989070363789 0.43092927095376 0.65931206873258 10.811 > 8 72 B 0.66989070363789 0.43092927095376 0.65931206873258 10.811 > 8 73 B 0.12650209690533 0.92827450329857 0.94838041369561 10.811 > 9 74 B 0.62650209690533 0.92827450329857 0.94838041369561 10.811 > 9 75 B 0.37349790309467 0.42827450329857 0.05161958630439 10.811 > 10 76 B 0.87349790309467 0.42827450329857 0.05161958630439 10.811 > 10 77 B 0.16989070363789 0.56907072904624 0.34068793126742 10.811 > 11 78 B 0.66989070363789 0.56907072904624 0.34068793126742 10.811 > 11 79 B 0.00000000000000 0.83329657101634 0.01187432830126 10.811 > 12 80 B 0.50000000000000 0.83329657101634 0.01187432830126 10.811 > 12 81 B 0.25000000000000 0.42621099999553 0.32244972028898 10.811 > 13 82 B 0.75000000000000 0.42621099999553 0.32244972028898 10.811 > 13 83 B 0.33010929636211 0.43092927095376 0.65931206873258 10.811 > 14 84 B 0.83010929636211 0.43092927095376 0.65931206873258 10.811 > 14 85 B 0.37349790309467 0.57172549670143 0.94838041369561 10.811 > 15 86 B 0.87349790309467 0.57172549670143 0.94838041369561 10.811 > 15 87 B 0.00000000000000 0.33329657101634 0.98812567169874 10.811 > 16 88 B 0.50000000000000 0.33329657101634 0.98812567169874 10.811 > 16 89 B 0.37349790309467 0.07172549670143 0.05161958630439 10.811 > 17 90 B 0.87349790309467 0.07172549670143 0.05161958630439 10.811 > 17 91 B 0.25000000000000 0.75000000000000 0.86351832341201 10.811 > 18 92 B 0.75000000000000 0.75000000000000 0.86351832341201 10.811 > 18 93 B 0.41989070363789 0.43092927095376 0.84068793126742 10.811 > 19 94 B 0.91989070363789 0.43092927095376 0.84068793126742 10.811 > 19 95 B 0.00000000000000 0.66670342898366 0.01187432830126 10.811 > 20 96 B 0.50000000000000 0.66670342898366 0.01187432830126 10.811 > 20 97 B 0.00000000000000 0.42621099999553 0.17755027971102 10.811 > 21 98 B 0.50000000000000 0.42621099999553 0.17755027971102 10.811 > 21 99 B 0.33010929636211 0.56907072904624 0.34068793126742 10.811 > 22 100 B 0.83010929636211 0.56907072904624 0.34068793126742 10.811 > 22 101 B 0.08010929636211 0.56907072904624 0.15931206873258 10.811 > 23 102 B 0.58010929636211 0.56907072904624 0.15931206873258 10.811 > 23 103 B 0.00000000000000 0.57378900000447 0.82244972028898 10.811 > 24 104 B 0.50000000000000 0.57378900000447 0.82244972028898 10.811 > 24 105 B 0.12650209690533 0.57172549670143 0.94838041369561 10.811 > 25 106 B 0.62650209690533 0.57172549670143 0.94838041369561 10.811 > 25 107 B 0.25000000000000 0.57378900000447 0.67755027971102 10.811 > 26 108 B 0.75000000000000 0.57378900000447 0.67755027971102 10.811 > 26 109 B 0.25000000000000 0.25000000000000 0.13648167658798 10.811 > 27 110 B 0.75000000000000 0.25000000000000 0.13648167658798 10.811 > 27 111 B 0.08010929636211 0.43092927095376 0.84068793126742 10.811 > 28 112 B 0.58010929636211 0.43092927095376 0.84068793126742 10.811 > 28 *113 C 0.25000000000000 0.11862973733680 0.12946178068152 12.011 > 29 114 C 0.75000000000000 0.11862973733680 0.12946178068152 12.011 > 29 115 C 0.00000000000000 0.88137026266320 0.62946178068152 12.011 > 30 116 C 0.50000000000000 0.88137026266320 0.62946178068152 12.011 > 30 117 C 0.00000000000000 0.11862973733680 0.37053821931848 12.011 > 31 118 C 0.50000000000000 0.11862973733680 0.37053821931848 12.011 > 31 119 C 0.25000000000000 0.88137026266320 0.87053821931848 12.011 > 32 120 C 0.75000000000000 0.88137026266320 0.87053821931848 12.011 > 32 121 C 0.00000000000000 0.61862973733680 0.62946178068152 12.011 > 29 122 C 0.50000000000000 0.61862973733680 0.62946178068152 12.011 > 29 123 C 0.25000000000000 0.38137026266320 0.12946178068152 12.011 > 30 124 C 0.75000000000000 0.38137026266320 0.12946178068152 12.011 > 30 125 C 0.25000000000000 0.61862973733680 0.87053821931848 12.011 > 31 126 C 0.75000000000000 0.61862973733680 0.87053821931848 12.011 > 31 127 C 0.00000000000000 0.38137026266320 0.37053821931848 12.011 > 32 128 C 0.50000000000000 0.38137026266320 0.37053821931848 12.011 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7301421 0.0000000 0.0000000 0.0000000 7.3542110 0.0000000 0.0000000 0.0000000 6.9414453 -------------------------- Born effective charges -------------------------- 1 Li 1.1619755 -0.0000000 0.0000000 0.0000000 1.7560679 0.0000000 0.0000000 0.0000000 1.4879120 2 Li 1.1619755 -0.0000000 0.0000000 0.0000000 1.7560679 0.0000000 0.0000000 0.0000000 1.4879120 3 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 0.0954281 0.0000000 0.1678296 -0.3635118 4 B 0.7652762 0.3019622 0.4631085 0.5451450 0.0187533 0.1597093 0.6015654 0.1394941 0.0786656 5 B 0.7652762 -0.3019622 0.4631085 -0.5451450 0.0187533 -0.1597093 0.6015654 -0.1394941 0.0786656 6 B 0.7652762 0.3019622 0.4631085 0.5451450 0.0187533 0.1597093 0.6015654 0.1394941 0.0786656 7 B -0.1395834 0.0130978 -0.2988747 0.0324315 -0.5344200 0.0952187 -0.2236968 -0.0103139 -0.0886972 8 B -0.1395834 -0.0130978 -0.2988747 -0.0324315 -0.5344200 -0.0952187 -0.2236968 0.0103139 -0.0886972 9 B 0.7652762 -0.3019622 -0.4631085 -0.5451450 0.0187533 0.1597093 -0.6015654 0.1394941 0.0786656 10 B 0.7652762 0.3019622 -0.4631085 0.5451450 0.0187533 -0.1597093 -0.6015654 -0.1394941 0.0786656 11 B -0.1395834 0.0130978 0.2988747 0.0324315 -0.5344200 -0.0952187 0.2236968 0.0103139 -0.0886972 12 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 0.0954281 0.0000000 0.1678296 -0.3635118 13 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 0.6372395 0.0000000 0.2910672 0.9051290 14 B -0.1395834 0.0130978 0.2988747 0.0324315 -0.5344200 -0.0952187 0.2236968 0.0103139 -0.0886972 15 B 0.7652762 -0.3019622 0.4631085 -0.5451450 0.0187533 -0.1597093 0.6015654 -0.1394941 0.0786656 16 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 -0.0954281 0.0000000 -0.1678296 -0.3635118 17 B 0.7652762 -0.3019622 -0.4631085 -0.5451450 0.0187533 0.1597093 -0.6015654 0.1394941 0.0786656 18 B 0.8429783 -0.0000000 0.0000000 0.0000000 4.4530621 0.0000000 0.0000000 0.0000000 0.5029524 19 B -0.1395834 -0.0130978 0.2988747 -0.0324315 -0.5344200 0.0952187 0.2236968 -0.0103139 -0.0886972 20 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 -0.0954281 0.0000000 -0.1678296 -0.3635118 21 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 -0.6372395 0.0000000 -0.2910672 0.9051290 22 B -0.1395834 -0.0130978 -0.2988747 -0.0324315 -0.5344200 -0.0952187 -0.2236968 0.0103139 -0.0886972 23 B -0.1395834 -0.0130978 0.2988747 -0.0324315 -0.5344200 0.0952187 0.2236968 -0.0103139 -0.0886972 24 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 -0.6372395 0.0000000 -0.2910672 0.9051290 25 B 0.7652762 0.3019622 -0.4631085 0.5451450 0.0187533 -0.1597093 -0.6015654 -0.1394941 0.0786656 26 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 0.6372395 0.0000000 0.2910672 0.9051290 27 B 0.8429783 -0.0000000 0.0000000 0.0000000 4.4530621 0.0000000 0.0000000 0.0000000 0.5029524 28 B -0.1395834 0.0130978 -0.2988747 0.0324315 -0.5344200 0.0952187 -0.2236968 -0.0103139 -0.0886972 29 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 0.2781318 0.0000000 -0.0125886 -1.5169863 30 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 -0.2781318 0.0000000 0.0125886 -1.5169863 31 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 -0.2781318 0.0000000 0.0125886 -1.5169863 32 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 0.2781318 0.0000000 -0.0125886 -1.5169863 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 24792/24792 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2486 Number of blocks in projector: 2486 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: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 240 eigenvectors found. (2) Block: 500 / 564 (2) 240 eigenvectors found. (2) Block: 564 / 564 (2) 56 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 342 Use standard eigh solver. Tree of FC basis block matrices: - (2486, 2447), data: False |-- (342, 335), data: True |-- (342, 335), data: True |-- (342, 335), data: True |-- (444, 440), data: True |-- (452, 448), data: True |-- (564, 554), data: False |-- (564, 554), data: False |-- (564, 18), data: (564, 28) @ (28, 18) |-- (64, 56), data: True |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.907 Solver_block: 200 / 480 - Time: 0.817 Solver_block: 300 / 480 - Time: 0.807 Solver_block: 400 / 480 - Time: 0.813 Solver_block: 480 / 480 - Time: 0.679 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.118 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 24792/24792 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2486 Number of blocks in projector: 2486 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: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 240 eigenvectors found. (2) Block: 500 / 564 (2) 240 eigenvectors found. (2) Block: 564 / 564 (2) 56 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 342 Use standard eigh solver. Tree of FC basis block matrices: - (2486, 2447), data: False |-- (342, 335), data: True |-- (342, 335), data: True |-- (342, 335), data: True |-- (444, 440), data: True |-- (452, 448), data: True |-- (564, 554), data: False |-- (564, 554), data: False |-- (564, 18), data: (564, 28) @ (28, 18) |-- (64, 56), data: True |-- (250, 240), data: True |-- (250, 240), 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 20:55:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:55:47]------------------------- 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 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.827540935000000 5.395203360000000 4.007236265000000 b 2.827540935000000 -5.395203360000000 4.007236265000000 c 2.827540935000000 5.395203360000000 -4.007236265000000 Atomic positions (fractional): 1 Li 0.94508532506211 0.69508532506211 0.25000000000000 6.941 2 Li 0.05491467493789 0.30491467493789 0.75000000000000 6.941 3 B 0.15482910068240 0.98812567169874 0.16670342898366 10.811 4 B 0.12334508300582 0.30462378011506 0.32472969051209 10.811 5 B 0.47989408960296 0.30462378011506 0.68127869710923 10.811 6 B 0.87665491699417 0.69537621988495 0.67527030948791 10.811 7 B 0.72838279777882 0.99909347600836 0.40885213632202 10.811 8 B 0.09024133968634 0.99909347600836 0.77071067822954 10.811 9 B 0.87665491699417 0.20138460750627 0.18127869710923 10.811 10 B 0.47989408960296 0.79861539249373 0.17527030948791 10.811 11 B 0.90975866031367 0.68046933854320 0.90885213632202 10.811 12 B 0.84517089931760 0.01187432830126 0.83329657101634 10.811 13 B 0.74866072028451 0.82244972028898 0.92621099999553 10.811 14 B 0.09024133968634 0.31953066145680 0.09114786367798 10.811 15 B 0.52010591039704 0.69537621988495 0.31872130289077 10.811 16 B 0.32142224271508 0.98812567169874 0.33329657101634 10.811 17 B 0.12334508300582 0.79861539249373 0.81872130289077 10.811 18 B 0.61351832341201 0.36351832341202 0.25000000000000 10.811 19 B 0.27161720222118 0.68046933854320 0.27071067822954 10.811 20 B 0.67857775728492 0.01187432830126 0.66670342898366 10.811 21 B 0.60376127970655 0.17755027971102 0.42621099999553 10.811 22 B 0.90975866031367 0.00090652399164 0.22928932177046 10.811 23 B 0.72838279777882 0.31953066145680 0.72928932177046 10.811 24 B 0.39623872029345 0.82244972028898 0.57378900000447 10.811 25 B 0.52010591039704 0.20138460750627 0.82472969051209 10.811 26 B 0.25133927971549 0.17755027971102 0.07378900000447 10.811 27 B 0.38648167658799 0.63648167658799 0.75000000000000 10.811 28 B 0.27161720222118 0.00090652399164 0.59114786367798 10.811 29 C 0.24809151801831 0.62946178068152 0.61862973733680 12.011 30 C 0.51083204334472 0.62946178068152 0.88137026266320 12.011 31 C 0.48916795665528 0.37053821931848 0.11862973733680 12.011 32 C 0.75190848198169 0.37053821931848 0.38137026266320 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.310163740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790406720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.014472530000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.69508532506211 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.69508532506211 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.30491467493789 6.941 > 3 4 Li 0.50000000000000 0.75000000000000 0.30491467493789 6.941 > 3 5 Li 0.25000000000000 0.75000000000000 0.19508532506211 6.941 > 1 6 Li 0.75000000000000 0.75000000000000 0.19508532506211 6.941 > 1 7 Li 0.25000000000000 0.25000000000000 0.80491467493789 6.941 > 3 8 Li 0.75000000000000 0.25000000000000 0.80491467493789 6.941 > 3 9 B 0.25000000000000 0.66670342898366 0.48812567169874 10.811 > 9 10 B 0.75000000000000 0.66670342898366 0.48812567169874 10.811 > 9 11 B 0.37650209690533 0.57172549670143 0.55161958630439 10.811 > 11 12 B 0.87650209690533 0.57172549670143 0.55161958630439 10.811 > 11 13 B 0.37650209690533 0.92827450329857 0.55161958630439 10.811 > 13 14 B 0.87650209690533 0.92827450329857 0.55161958630439 10.811 > 13 15 B 0.12349790309467 0.42827450329857 0.44838041369561 10.811 > 15 16 B 0.62349790309467 0.42827450329857 0.44838041369561 10.811 > 15 17 B 0.16989070363789 0.06907072904624 0.65931206873258 10.811 > 17 18 B 0.66989070363789 0.06907072904624 0.65931206873258 10.811 > 17 19 B 0.41989070363789 0.93092927095376 0.15931206873258 10.811 > 19 20 B 0.91989070363789 0.93092927095376 0.15931206873258 10.811 > 19 21 B 0.37650209690533 0.42827450329857 0.44838041369561 10.811 > 21 22 B 0.87650209690533 0.42827450329857 0.44838041369561 10.811 > 21 23 B 0.12349790309467 0.92827450329857 0.55161958630439 10.811 > 23 24 B 0.62349790309467 0.92827450329857 0.55161958630439 10.811 > 23 25 B 0.41989070363789 0.06907072904624 0.84068793126742 10.811 > 25 26 B 0.91989070363789 0.06907072904624 0.84068793126742 10.811 > 25 27 B 0.25000000000000 0.33329657101634 0.51187432830126 10.811 > 27 28 B 0.75000000000000 0.33329657101634 0.51187432830126 10.811 > 27 29 B 0.00000000000000 0.92621099999553 0.82244972028898 10.811 > 29 30 B 0.50000000000000 0.92621099999553 0.82244972028898 10.811 > 29 31 B 0.08010929636211 0.93092927095376 0.15931206873258 10.811 > 31 32 B 0.58010929636211 0.93092927095376 0.15931206873258 10.811 > 31 33 B 0.12349790309467 0.07172549670143 0.44838041369561 10.811 > 33 34 B 0.62349790309467 0.07172549670143 0.44838041369561 10.811 > 33 35 B 0.25000000000000 0.83329657101634 0.48812567169874 10.811 > 35 36 B 0.75000000000000 0.83329657101634 0.48812567169874 10.811 > 35 37 B 0.12349790309467 0.57172549670143 0.55161958630439 10.811 > 37 38 B 0.62349790309467 0.57172549670143 0.55161958630439 10.811 > 37 39 B 0.00000000000000 0.25000000000000 0.36351832341202 10.811 > 39 40 B 0.50000000000000 0.25000000000000 0.36351832341202 10.811 > 39 41 B 0.16989070363789 0.93092927095376 0.34068793126742 10.811 > 41 42 B 0.66989070363789 0.93092927095376 0.34068793126742 10.811 > 41 43 B 0.25000000000000 0.16670342898366 0.51187432830126 10.811 > 43 44 B 0.75000000000000 0.16670342898366 0.51187432830126 10.811 > 43 45 B 0.25000000000000 0.92621099999553 0.67755027971102 10.811 > 45 46 B 0.75000000000000 0.92621099999553 0.67755027971102 10.811 > 45 47 B 0.08010929636211 0.06907072904624 0.84068793126742 10.811 > 47 48 B 0.58010929636211 0.06907072904624 0.84068793126742 10.811 > 47 49 B 0.33010929636211 0.06907072904624 0.65931206873258 10.811 > 49 50 B 0.83010929636211 0.06907072904624 0.65931206873258 10.811 > 49 51 B 0.25000000000000 0.07378900000447 0.32244972028898 10.811 > 51 52 B 0.75000000000000 0.07378900000447 0.32244972028898 10.811 > 51 53 B 0.37650209690533 0.07172549670143 0.44838041369561 10.811 > 53 54 B 0.87650209690533 0.07172549670143 0.44838041369561 10.811 > 53 55 B 0.00000000000000 0.07378900000447 0.17755027971102 10.811 > 55 56 B 0.50000000000000 0.07378900000447 0.17755027971102 10.811 > 55 57 B 0.00000000000000 0.75000000000000 0.63648167658799 10.811 > 57 58 B 0.50000000000000 0.75000000000000 0.63648167658799 10.811 > 57 59 B 0.33010929636211 0.93092927095376 0.34068793126742 10.811 > 59 60 B 0.83010929636211 0.93092927095376 0.34068793126742 10.811 > 59 61 B 0.00000000000000 0.16670342898366 0.98812567169874 10.811 > 9 62 B 0.50000000000000 0.16670342898366 0.98812567169874 10.811 > 9 63 B 0.12650209690533 0.07172549670143 0.05161958630439 10.811 > 11 64 B 0.62650209690533 0.07172549670143 0.05161958630439 10.811 > 11 65 B 0.12650209690533 0.42827450329857 0.05161958630439 10.811 > 13 66 B 0.62650209690533 0.42827450329857 0.05161958630439 10.811 > 13 67 B 0.37349790309467 0.92827450329857 0.94838041369561 10.811 > 15 68 B 0.87349790309467 0.92827450329857 0.94838041369561 10.811 > 15 69 B 0.41989070363789 0.56907072904624 0.15931206873258 10.811 > 17 70 B 0.91989070363789 0.56907072904624 0.15931206873258 10.811 > 17 71 B 0.16989070363789 0.43092927095376 0.65931206873258 10.811 > 19 72 B 0.66989070363789 0.43092927095376 0.65931206873258 10.811 > 19 73 B 0.12650209690533 0.92827450329857 0.94838041369561 10.811 > 21 74 B 0.62650209690533 0.92827450329857 0.94838041369561 10.811 > 21 75 B 0.37349790309467 0.42827450329857 0.05161958630439 10.811 > 23 76 B 0.87349790309467 0.42827450329857 0.05161958630439 10.811 > 23 77 B 0.16989070363789 0.56907072904624 0.34068793126742 10.811 > 25 78 B 0.66989070363789 0.56907072904624 0.34068793126742 10.811 > 25 79 B 0.00000000000000 0.83329657101634 0.01187432830126 10.811 > 27 80 B 0.50000000000000 0.83329657101634 0.01187432830126 10.811 > 27 81 B 0.25000000000000 0.42621099999553 0.32244972028898 10.811 > 29 82 B 0.75000000000000 0.42621099999553 0.32244972028898 10.811 > 29 83 B 0.33010929636211 0.43092927095376 0.65931206873258 10.811 > 31 84 B 0.83010929636211 0.43092927095376 0.65931206873258 10.811 > 31 85 B 0.37349790309467 0.57172549670143 0.94838041369561 10.811 > 33 86 B 0.87349790309467 0.57172549670143 0.94838041369561 10.811 > 33 87 B 0.00000000000000 0.33329657101634 0.98812567169874 10.811 > 35 88 B 0.50000000000000 0.33329657101634 0.98812567169874 10.811 > 35 89 B 0.37349790309467 0.07172549670143 0.05161958630439 10.811 > 37 90 B 0.87349790309467 0.07172549670143 0.05161958630439 10.811 > 37 91 B 0.25000000000000 0.75000000000000 0.86351832341201 10.811 > 39 92 B 0.75000000000000 0.75000000000000 0.86351832341201 10.811 > 39 93 B 0.41989070363789 0.43092927095376 0.84068793126742 10.811 > 41 94 B 0.91989070363789 0.43092927095376 0.84068793126742 10.811 > 41 95 B 0.00000000000000 0.66670342898366 0.01187432830126 10.811 > 43 96 B 0.50000000000000 0.66670342898366 0.01187432830126 10.811 > 43 97 B 0.00000000000000 0.42621099999553 0.17755027971102 10.811 > 45 98 B 0.50000000000000 0.42621099999553 0.17755027971102 10.811 > 45 99 B 0.33010929636211 0.56907072904624 0.34068793126742 10.811 > 47 100 B 0.83010929636211 0.56907072904624 0.34068793126742 10.811 > 47 101 B 0.08010929636211 0.56907072904624 0.15931206873258 10.811 > 49 102 B 0.58010929636211 0.56907072904624 0.15931206873258 10.811 > 49 103 B 0.00000000000000 0.57378900000447 0.82244972028898 10.811 > 51 104 B 0.50000000000000 0.57378900000447 0.82244972028898 10.811 > 51 105 B 0.12650209690533 0.57172549670143 0.94838041369561 10.811 > 53 106 B 0.62650209690533 0.57172549670143 0.94838041369561 10.811 > 53 107 B 0.25000000000000 0.57378900000447 0.67755027971102 10.811 > 55 108 B 0.75000000000000 0.57378900000447 0.67755027971102 10.811 > 55 109 B 0.25000000000000 0.25000000000000 0.13648167658798 10.811 > 57 110 B 0.75000000000000 0.25000000000000 0.13648167658798 10.811 > 57 111 B 0.08010929636211 0.43092927095376 0.84068793126742 10.811 > 59 112 B 0.58010929636211 0.43092927095376 0.84068793126742 10.811 > 59 113 C 0.25000000000000 0.11862973733680 0.12946178068152 12.011 > 113 114 C 0.75000000000000 0.11862973733680 0.12946178068152 12.011 > 113 115 C 0.00000000000000 0.88137026266320 0.62946178068152 12.011 > 115 116 C 0.50000000000000 0.88137026266320 0.62946178068152 12.011 > 115 117 C 0.00000000000000 0.11862973733680 0.37053821931848 12.011 > 117 118 C 0.50000000000000 0.11862973733680 0.37053821931848 12.011 > 117 119 C 0.25000000000000 0.88137026266320 0.87053821931848 12.011 > 119 120 C 0.75000000000000 0.88137026266320 0.87053821931848 12.011 > 119 121 C 0.00000000000000 0.61862973733680 0.62946178068152 12.011 > 113 122 C 0.50000000000000 0.61862973733680 0.62946178068152 12.011 > 113 123 C 0.25000000000000 0.38137026266320 0.12946178068152 12.011 > 115 124 C 0.75000000000000 0.38137026266320 0.12946178068152 12.011 > 115 125 C 0.25000000000000 0.61862973733680 0.87053821931848 12.011 > 117 126 C 0.75000000000000 0.61862973733680 0.87053821931848 12.011 > 117 127 C 0.00000000000000 0.38137026266320 0.37053821931848 12.011 > 119 128 C 0.50000000000000 0.38137026266320 0.37053821931848 12.011 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7301421 0.0000000 0.0000000 0.0000000 7.3542110 0.0000000 0.0000000 0.0000000 6.9414453 -------------------------- Born effective charges -------------------------- 1 Li 1.1619755 -0.0000000 0.0000000 0.0000000 1.7560679 0.0000000 0.0000000 0.0000000 1.4879120 2 Li 1.1619755 -0.0000000 0.0000000 0.0000000 1.7560679 0.0000000 0.0000000 0.0000000 1.4879120 3 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 0.0954281 0.0000000 0.1678296 -0.3635118 4 B 0.7652762 0.3019622 0.4631085 0.5451450 0.0187533 0.1597093 0.6015654 0.1394941 0.0786656 5 B 0.7652762 -0.3019622 0.4631085 -0.5451450 0.0187533 -0.1597093 0.6015654 -0.1394941 0.0786656 6 B 0.7652762 0.3019622 0.4631085 0.5451450 0.0187533 0.1597093 0.6015654 0.1394941 0.0786656 7 B -0.1395834 0.0130978 -0.2988747 0.0324315 -0.5344200 0.0952187 -0.2236968 -0.0103139 -0.0886972 8 B -0.1395834 -0.0130978 -0.2988747 -0.0324315 -0.5344200 -0.0952187 -0.2236968 0.0103139 -0.0886972 9 B 0.7652762 -0.3019622 -0.4631085 -0.5451450 0.0187533 0.1597093 -0.6015654 0.1394941 0.0786656 10 B 0.7652762 0.3019622 -0.4631085 0.5451450 0.0187533 -0.1597093 -0.6015654 -0.1394941 0.0786656 11 B -0.1395834 0.0130978 0.2988747 0.0324315 -0.5344200 -0.0952187 0.2236968 0.0103139 -0.0886972 12 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 0.0954281 0.0000000 0.1678296 -0.3635118 13 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 0.6372395 0.0000000 0.2910672 0.9051290 14 B -0.1395834 0.0130978 0.2988747 0.0324315 -0.5344200 -0.0952187 0.2236968 0.0103139 -0.0886972 15 B 0.7652762 -0.3019622 0.4631085 -0.5451450 0.0187533 -0.1597093 0.6015654 -0.1394941 0.0786656 16 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 -0.0954281 0.0000000 -0.1678296 -0.3635118 17 B 0.7652762 -0.3019622 -0.4631085 -0.5451450 0.0187533 0.1597093 -0.6015654 0.1394941 0.0786656 18 B 0.8429783 -0.0000000 0.0000000 0.0000000 4.4530621 0.0000000 0.0000000 0.0000000 0.5029524 19 B -0.1395834 -0.0130978 0.2988747 -0.0324315 -0.5344200 0.0952187 0.2236968 -0.0103139 -0.0886972 20 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 -0.0954281 0.0000000 -0.1678296 -0.3635118 21 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 -0.6372395 0.0000000 -0.2910672 0.9051290 22 B -0.1395834 -0.0130978 -0.2988747 -0.0324315 -0.5344200 -0.0952187 -0.2236968 0.0103139 -0.0886972 23 B -0.1395834 -0.0130978 0.2988747 -0.0324315 -0.5344200 0.0952187 0.2236968 -0.0103139 -0.0886972 24 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 -0.6372395 0.0000000 -0.2910672 0.9051290 25 B 0.7652762 0.3019622 -0.4631085 0.5451450 0.0187533 -0.1597093 -0.6015654 -0.1394941 0.0786656 26 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 0.6372395 0.0000000 0.2910672 0.9051290 27 B 0.8429783 -0.0000000 0.0000000 0.0000000 4.4530621 0.0000000 0.0000000 0.0000000 0.5029524 28 B -0.1395834 0.0130978 -0.2988747 0.0324315 -0.5344200 0.0952187 -0.2236968 -0.0103139 -0.0886972 29 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 0.2781318 0.0000000 -0.0125886 -1.5169863 30 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 -0.2781318 0.0000000 0.0125886 -1.5169863 31 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 -0.2781318 0.0000000 0.0125886 -1.5169863 32 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 0.2781318 0.0000000 -0.0125886 -1.5169863 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:56:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:56:19]------------------------- 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 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.827540935000000 5.395203360000000 4.007236265000000 b 2.827540935000000 -5.395203360000000 4.007236265000000 c 2.827540935000000 5.395203360000000 -4.007236265000000 Atomic positions (fractional): 1 Li 0.94508532506211 0.69508532506211 0.25000000000000 6.941 2 Li 0.05491467493789 0.30491467493789 0.75000000000000 6.941 3 B 0.15482910068240 0.98812567169874 0.16670342898366 10.811 4 B 0.12334508300582 0.30462378011506 0.32472969051209 10.811 5 B 0.47989408960296 0.30462378011506 0.68127869710923 10.811 6 B 0.87665491699417 0.69537621988495 0.67527030948791 10.811 7 B 0.72838279777882 0.99909347600836 0.40885213632202 10.811 8 B 0.09024133968634 0.99909347600836 0.77071067822954 10.811 9 B 0.87665491699417 0.20138460750627 0.18127869710923 10.811 10 B 0.47989408960296 0.79861539249373 0.17527030948791 10.811 11 B 0.90975866031367 0.68046933854320 0.90885213632202 10.811 12 B 0.84517089931760 0.01187432830126 0.83329657101634 10.811 13 B 0.74866072028451 0.82244972028898 0.92621099999553 10.811 14 B 0.09024133968634 0.31953066145680 0.09114786367798 10.811 15 B 0.52010591039704 0.69537621988495 0.31872130289077 10.811 16 B 0.32142224271508 0.98812567169874 0.33329657101634 10.811 17 B 0.12334508300582 0.79861539249373 0.81872130289077 10.811 18 B 0.61351832341201 0.36351832341202 0.25000000000000 10.811 19 B 0.27161720222118 0.68046933854320 0.27071067822954 10.811 20 B 0.67857775728492 0.01187432830126 0.66670342898366 10.811 21 B 0.60376127970655 0.17755027971102 0.42621099999553 10.811 22 B 0.90975866031367 0.00090652399164 0.22928932177046 10.811 23 B 0.72838279777882 0.31953066145680 0.72928932177046 10.811 24 B 0.39623872029345 0.82244972028898 0.57378900000447 10.811 25 B 0.52010591039704 0.20138460750627 0.82472969051209 10.811 26 B 0.25133927971549 0.17755027971102 0.07378900000447 10.811 27 B 0.38648167658799 0.63648167658799 0.75000000000000 10.811 28 B 0.27161720222118 0.00090652399164 0.59114786367798 10.811 29 C 0.24809151801831 0.62946178068152 0.61862973733680 12.011 30 C 0.51083204334472 0.62946178068152 0.88137026266320 12.011 31 C 0.48916795665528 0.37053821931848 0.11862973733680 12.011 32 C 0.75190848198169 0.37053821931848 0.38137026266320 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.310163740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790406720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.014472530000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.69508532506211 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.69508532506211 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.30491467493789 6.941 > 3 4 Li 0.50000000000000 0.75000000000000 0.30491467493789 6.941 > 3 5 Li 0.25000000000000 0.75000000000000 0.19508532506211 6.941 > 1 6 Li 0.75000000000000 0.75000000000000 0.19508532506211 6.941 > 1 7 Li 0.25000000000000 0.25000000000000 0.80491467493789 6.941 > 3 8 Li 0.75000000000000 0.25000000000000 0.80491467493789 6.941 > 3 9 B 0.25000000000000 0.66670342898366 0.48812567169874 10.811 > 9 10 B 0.75000000000000 0.66670342898366 0.48812567169874 10.811 > 9 11 B 0.37650209690533 0.57172549670143 0.55161958630439 10.811 > 11 12 B 0.87650209690533 0.57172549670143 0.55161958630439 10.811 > 11 13 B 0.37650209690533 0.92827450329857 0.55161958630439 10.811 > 13 14 B 0.87650209690533 0.92827450329857 0.55161958630439 10.811 > 13 15 B 0.12349790309467 0.42827450329857 0.44838041369561 10.811 > 15 16 B 0.62349790309467 0.42827450329857 0.44838041369561 10.811 > 15 17 B 0.16989070363789 0.06907072904624 0.65931206873258 10.811 > 17 18 B 0.66989070363789 0.06907072904624 0.65931206873258 10.811 > 17 19 B 0.41989070363789 0.93092927095376 0.15931206873258 10.811 > 19 20 B 0.91989070363789 0.93092927095376 0.15931206873258 10.811 > 19 21 B 0.37650209690533 0.42827450329857 0.44838041369561 10.811 > 21 22 B 0.87650209690533 0.42827450329857 0.44838041369561 10.811 > 21 23 B 0.12349790309467 0.92827450329857 0.55161958630439 10.811 > 23 24 B 0.62349790309467 0.92827450329857 0.55161958630439 10.811 > 23 25 B 0.41989070363789 0.06907072904624 0.84068793126742 10.811 > 25 26 B 0.91989070363789 0.06907072904624 0.84068793126742 10.811 > 25 27 B 0.25000000000000 0.33329657101634 0.51187432830126 10.811 > 27 28 B 0.75000000000000 0.33329657101634 0.51187432830126 10.811 > 27 29 B 0.00000000000000 0.92621099999553 0.82244972028898 10.811 > 29 30 B 0.50000000000000 0.92621099999553 0.82244972028898 10.811 > 29 31 B 0.08010929636211 0.93092927095376 0.15931206873258 10.811 > 31 32 B 0.58010929636211 0.93092927095376 0.15931206873258 10.811 > 31 33 B 0.12349790309467 0.07172549670143 0.44838041369561 10.811 > 33 34 B 0.62349790309467 0.07172549670143 0.44838041369561 10.811 > 33 35 B 0.25000000000000 0.83329657101634 0.48812567169874 10.811 > 35 36 B 0.75000000000000 0.83329657101634 0.48812567169874 10.811 > 35 37 B 0.12349790309467 0.57172549670143 0.55161958630439 10.811 > 37 38 B 0.62349790309467 0.57172549670143 0.55161958630439 10.811 > 37 39 B 0.00000000000000 0.25000000000000 0.36351832341202 10.811 > 39 40 B 0.50000000000000 0.25000000000000 0.36351832341202 10.811 > 39 41 B 0.16989070363789 0.93092927095376 0.34068793126742 10.811 > 41 42 B 0.66989070363789 0.93092927095376 0.34068793126742 10.811 > 41 43 B 0.25000000000000 0.16670342898366 0.51187432830126 10.811 > 43 44 B 0.75000000000000 0.16670342898366 0.51187432830126 10.811 > 43 45 B 0.25000000000000 0.92621099999553 0.67755027971102 10.811 > 45 46 B 0.75000000000000 0.92621099999553 0.67755027971102 10.811 > 45 47 B 0.08010929636211 0.06907072904624 0.84068793126742 10.811 > 47 48 B 0.58010929636211 0.06907072904624 0.84068793126742 10.811 > 47 49 B 0.33010929636211 0.06907072904624 0.65931206873258 10.811 > 49 50 B 0.83010929636211 0.06907072904624 0.65931206873258 10.811 > 49 51 B 0.25000000000000 0.07378900000447 0.32244972028898 10.811 > 51 52 B 0.75000000000000 0.07378900000447 0.32244972028898 10.811 > 51 53 B 0.37650209690533 0.07172549670143 0.44838041369561 10.811 > 53 54 B 0.87650209690533 0.07172549670143 0.44838041369561 10.811 > 53 55 B 0.00000000000000 0.07378900000447 0.17755027971102 10.811 > 55 56 B 0.50000000000000 0.07378900000447 0.17755027971102 10.811 > 55 57 B 0.00000000000000 0.75000000000000 0.63648167658799 10.811 > 57 58 B 0.50000000000000 0.75000000000000 0.63648167658799 10.811 > 57 59 B 0.33010929636211 0.93092927095376 0.34068793126742 10.811 > 59 60 B 0.83010929636211 0.93092927095376 0.34068793126742 10.811 > 59 61 B 0.00000000000000 0.16670342898366 0.98812567169874 10.811 > 9 62 B 0.50000000000000 0.16670342898366 0.98812567169874 10.811 > 9 63 B 0.12650209690533 0.07172549670143 0.05161958630439 10.811 > 11 64 B 0.62650209690533 0.07172549670143 0.05161958630439 10.811 > 11 65 B 0.12650209690533 0.42827450329857 0.05161958630439 10.811 > 13 66 B 0.62650209690533 0.42827450329857 0.05161958630439 10.811 > 13 67 B 0.37349790309467 0.92827450329857 0.94838041369561 10.811 > 15 68 B 0.87349790309467 0.92827450329857 0.94838041369561 10.811 > 15 69 B 0.41989070363789 0.56907072904624 0.15931206873258 10.811 > 17 70 B 0.91989070363789 0.56907072904624 0.15931206873258 10.811 > 17 71 B 0.16989070363789 0.43092927095376 0.65931206873258 10.811 > 19 72 B 0.66989070363789 0.43092927095376 0.65931206873258 10.811 > 19 73 B 0.12650209690533 0.92827450329857 0.94838041369561 10.811 > 21 74 B 0.62650209690533 0.92827450329857 0.94838041369561 10.811 > 21 75 B 0.37349790309467 0.42827450329857 0.05161958630439 10.811 > 23 76 B 0.87349790309467 0.42827450329857 0.05161958630439 10.811 > 23 77 B 0.16989070363789 0.56907072904624 0.34068793126742 10.811 > 25 78 B 0.66989070363789 0.56907072904624 0.34068793126742 10.811 > 25 79 B 0.00000000000000 0.83329657101634 0.01187432830126 10.811 > 27 80 B 0.50000000000000 0.83329657101634 0.01187432830126 10.811 > 27 81 B 0.25000000000000 0.42621099999553 0.32244972028898 10.811 > 29 82 B 0.75000000000000 0.42621099999553 0.32244972028898 10.811 > 29 83 B 0.33010929636211 0.43092927095376 0.65931206873258 10.811 > 31 84 B 0.83010929636211 0.43092927095376 0.65931206873258 10.811 > 31 85 B 0.37349790309467 0.57172549670143 0.94838041369561 10.811 > 33 86 B 0.87349790309467 0.57172549670143 0.94838041369561 10.811 > 33 87 B 0.00000000000000 0.33329657101634 0.98812567169874 10.811 > 35 88 B 0.50000000000000 0.33329657101634 0.98812567169874 10.811 > 35 89 B 0.37349790309467 0.07172549670143 0.05161958630439 10.811 > 37 90 B 0.87349790309467 0.07172549670143 0.05161958630439 10.811 > 37 91 B 0.25000000000000 0.75000000000000 0.86351832341201 10.811 > 39 92 B 0.75000000000000 0.75000000000000 0.86351832341201 10.811 > 39 93 B 0.41989070363789 0.43092927095376 0.84068793126742 10.811 > 41 94 B 0.91989070363789 0.43092927095376 0.84068793126742 10.811 > 41 95 B 0.00000000000000 0.66670342898366 0.01187432830126 10.811 > 43 96 B 0.50000000000000 0.66670342898366 0.01187432830126 10.811 > 43 97 B 0.00000000000000 0.42621099999553 0.17755027971102 10.811 > 45 98 B 0.50000000000000 0.42621099999553 0.17755027971102 10.811 > 45 99 B 0.33010929636211 0.56907072904624 0.34068793126742 10.811 > 47 100 B 0.83010929636211 0.56907072904624 0.34068793126742 10.811 > 47 101 B 0.08010929636211 0.56907072904624 0.15931206873258 10.811 > 49 102 B 0.58010929636211 0.56907072904624 0.15931206873258 10.811 > 49 103 B 0.00000000000000 0.57378900000447 0.82244972028898 10.811 > 51 104 B 0.50000000000000 0.57378900000447 0.82244972028898 10.811 > 51 105 B 0.12650209690533 0.57172549670143 0.94838041369561 10.811 > 53 106 B 0.62650209690533 0.57172549670143 0.94838041369561 10.811 > 53 107 B 0.25000000000000 0.57378900000447 0.67755027971102 10.811 > 55 108 B 0.75000000000000 0.57378900000447 0.67755027971102 10.811 > 55 109 B 0.25000000000000 0.25000000000000 0.13648167658798 10.811 > 57 110 B 0.75000000000000 0.25000000000000 0.13648167658798 10.811 > 57 111 B 0.08010929636211 0.43092927095376 0.84068793126742 10.811 > 59 112 B 0.58010929636211 0.43092927095376 0.84068793126742 10.811 > 59 113 C 0.25000000000000 0.11862973733680 0.12946178068152 12.011 > 113 114 C 0.75000000000000 0.11862973733680 0.12946178068152 12.011 > 113 115 C 0.00000000000000 0.88137026266320 0.62946178068152 12.011 > 115 116 C 0.50000000000000 0.88137026266320 0.62946178068152 12.011 > 115 117 C 0.00000000000000 0.11862973733680 0.37053821931848 12.011 > 117 118 C 0.50000000000000 0.11862973733680 0.37053821931848 12.011 > 117 119 C 0.25000000000000 0.88137026266320 0.87053821931848 12.011 > 119 120 C 0.75000000000000 0.88137026266320 0.87053821931848 12.011 > 119 121 C 0.00000000000000 0.61862973733680 0.62946178068152 12.011 > 113 122 C 0.50000000000000 0.61862973733680 0.62946178068152 12.011 > 113 123 C 0.25000000000000 0.38137026266320 0.12946178068152 12.011 > 115 124 C 0.75000000000000 0.38137026266320 0.12946178068152 12.011 > 115 125 C 0.25000000000000 0.61862973733680 0.87053821931848 12.011 > 117 126 C 0.75000000000000 0.61862973733680 0.87053821931848 12.011 > 117 127 C 0.00000000000000 0.38137026266320 0.37053821931848 12.011 > 119 128 C 0.50000000000000 0.38137026266320 0.37053821931848 12.011 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7301421 0.0000000 0.0000000 0.0000000 7.3542110 0.0000000 0.0000000 0.0000000 6.9414453 -------------------------- Born effective charges -------------------------- 1 Li 1.1619755 -0.0000000 0.0000000 0.0000000 1.7560679 0.0000000 0.0000000 0.0000000 1.4879120 2 Li 1.1619755 -0.0000000 0.0000000 0.0000000 1.7560679 0.0000000 0.0000000 0.0000000 1.4879120 3 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 0.0954281 0.0000000 0.1678296 -0.3635118 4 B 0.7652762 0.3019622 0.4631085 0.5451450 0.0187533 0.1597093 0.6015654 0.1394941 0.0786656 5 B 0.7652762 -0.3019622 0.4631085 -0.5451450 0.0187533 -0.1597093 0.6015654 -0.1394941 0.0786656 6 B 0.7652762 0.3019622 0.4631085 0.5451450 0.0187533 0.1597093 0.6015654 0.1394941 0.0786656 7 B -0.1395834 0.0130978 -0.2988747 0.0324315 -0.5344200 0.0952187 -0.2236968 -0.0103139 -0.0886972 8 B -0.1395834 -0.0130978 -0.2988747 -0.0324315 -0.5344200 -0.0952187 -0.2236968 0.0103139 -0.0886972 9 B 0.7652762 -0.3019622 -0.4631085 -0.5451450 0.0187533 0.1597093 -0.6015654 0.1394941 0.0786656 10 B 0.7652762 0.3019622 -0.4631085 0.5451450 0.0187533 -0.1597093 -0.6015654 -0.1394941 0.0786656 11 B -0.1395834 0.0130978 0.2988747 0.0324315 -0.5344200 -0.0952187 0.2236968 0.0103139 -0.0886972 12 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 0.0954281 0.0000000 0.1678296 -0.3635118 13 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 0.6372395 0.0000000 0.2910672 0.9051290 14 B -0.1395834 0.0130978 0.2988747 0.0324315 -0.5344200 -0.0952187 0.2236968 0.0103139 -0.0886972 15 B 0.7652762 -0.3019622 0.4631085 -0.5451450 0.0187533 -0.1597093 0.6015654 -0.1394941 0.0786656 16 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 -0.0954281 0.0000000 -0.1678296 -0.3635118 17 B 0.7652762 -0.3019622 -0.4631085 -0.5451450 0.0187533 0.1597093 -0.6015654 0.1394941 0.0786656 18 B 0.8429783 -0.0000000 0.0000000 0.0000000 4.4530621 0.0000000 0.0000000 0.0000000 0.5029524 19 B -0.1395834 -0.0130978 0.2988747 -0.0324315 -0.5344200 0.0952187 0.2236968 -0.0103139 -0.0886972 20 B -0.2604597 -0.0000000 0.0000000 0.0000000 0.3093300 -0.0954281 0.0000000 -0.1678296 -0.3635118 21 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 -0.6372395 0.0000000 -0.2910672 0.9051290 22 B -0.1395834 -0.0130978 -0.2988747 -0.0324315 -0.5344200 -0.0952187 -0.2236968 0.0103139 -0.0886972 23 B -0.1395834 -0.0130978 0.2988747 -0.0324315 -0.5344200 0.0952187 0.2236968 -0.0103139 -0.0886972 24 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 -0.6372395 0.0000000 -0.2910672 0.9051290 25 B 0.7652762 0.3019622 -0.4631085 0.5451450 0.0187533 -0.1597093 -0.6015654 -0.1394941 0.0786656 26 B -0.2320102 -0.0000000 0.0000000 0.0000000 -0.0808273 0.6372395 0.0000000 0.2910672 0.9051290 27 B 0.8429783 -0.0000000 0.0000000 0.0000000 4.4530621 0.0000000 0.0000000 0.0000000 0.5029524 28 B -0.1395834 0.0130978 -0.2988747 0.0324315 -0.5344200 0.0952187 -0.2236968 -0.0103139 -0.0886972 29 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 0.2781318 0.0000000 -0.0125886 -1.5169863 30 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 -0.2781318 0.0000000 0.0125886 -1.5169863 31 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 -0.2781318 0.0000000 0.0125886 -1.5169863 32 C -1.7613925 -0.0000000 0.0000000 0.0000000 -2.3017343 0.2781318 0.0000000 -0.0125886 -1.5169863 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) 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 ... Generalized regular grid: [ 1 3 180 ] Grid generation matrix: [ 0 9 9 ] [ 5 0 5 ] [ 6 6 0 ] 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: 0.66, Number of G-points: 301, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 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 2.561 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 10.382 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.564 ( 0.000 0.000 0.000) 0.000 11.138 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.420 ( 0.000 0.000 0.000) 0.000 13.215 ( 0.000 0.000 0.000) 0.000 13.219 ( 0.000 0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.827 ( 0.000 0.000 0.000) 0.000 15.246 ( 0.000 0.000 0.000) 0.000 15.607 ( 0.000 0.000 0.000) 0.000 15.820 ( 0.000 0.000 0.000) 0.000 16.194 ( 0.000 0.000 0.000) 0.000 16.442 ( 0.000 0.000 0.000) 0.000 16.827 ( 0.000 0.000 0.000) 0.000 16.895 ( 0.000 0.000 0.000) 0.000 17.010 ( 0.000 0.000 0.000) 0.000 17.222 ( 0.000 0.000 0.000) 0.000 17.244 ( 0.000 0.000 0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.775 ( 0.000 0.000 0.000) 0.000 17.874 ( 0.000 0.000 0.000) 0.000 17.930 ( 0.000 0.000 0.000) 0.000 18.166 ( 0.000 0.000 0.000) 0.000 18.338 ( 0.000 0.000 0.000) 0.000 18.813 ( 0.000 0.000 0.000) 0.000 19.012 ( 0.000 0.000 0.000) 0.000 19.516 ( 0.000 0.000 0.000) 0.000 19.526 ( 0.000 0.000 0.000) 0.000 19.928 ( 0.000 0.000 0.000) 0.000 19.948 ( 0.000 0.000 0.000) 0.000 21.059 ( 0.000 0.000 0.000) 0.000 21.152 ( 0.000 0.000 0.000) 0.000 21.274 ( 0.000 0.000 0.000) 0.000 21.277 ( 0.000 0.000 0.000) 0.000 21.429 ( 0.000 0.000 0.000) 0.000 21.511 ( 0.000 0.000 0.000) 0.000 21.747 ( 0.000 0.000 0.000) 0.000 22.138 ( 0.000 0.000 0.000) 0.000 22.261 ( 0.000 0.000 0.000) 0.000 22.465 ( 0.000 0.000 0.000) 0.000 22.500 ( 0.000 0.000 0.000) 0.000 22.623 ( 0.000 0.000 0.000) 0.000 22.656 ( 0.000 0.000 0.000) 0.000 22.671 ( 0.000 0.000 0.000) 0.000 22.789 ( 0.000 0.000 0.000) 0.000 23.234 ( 0.000 0.000 0.000) 0.000 23.337 ( 0.000 0.000 0.000) 0.000 23.487 ( 0.000 0.000 0.000) 0.000 23.661 ( 0.000 0.000 0.000) 0.000 24.174 ( 0.000 0.000 0.000) 0.000 24.354 ( 0.000 0.000 0.000) 0.000 24.976 ( 0.000 0.000 0.000) 0.000 25.020 ( 0.000 0.000 0.000) 0.000 25.334 ( 0.000 0.000 0.000) 0.000 25.607 ( 0.000 0.000 0.000) 0.000 25.965 ( 0.000 0.000 0.000) 0.000 26.021 ( 0.000 0.000 0.000) 0.000 26.034 ( 0.000 0.000 0.000) 0.000 26.323 ( 0.000 0.000 0.000) 0.000 26.505 ( 0.000 0.000 0.000) 0.000 28.066 ( 0.000 0.000 0.000) 0.000 28.167 ( 0.000 0.000 0.000) 0.000 28.627 ( 0.000 0.000 0.000) 0.000 28.777 ( 0.000 0.000 0.000) 0.000 29.157 ( 0.000 0.000 0.000) 0.000 29.674 ( 0.000 0.000 0.000) 0.000 29.683 ( 0.000 0.000 0.000) 0.000 29.740 ( 0.000 0.000 0.000) 0.000 30.006 ( 0.000 0.000 0.000) 0.000 30.151 ( 0.000 0.000 0.000) 0.000 30.926 ( 0.000 0.000 0.000) 0.000 30.986 ( 0.000 0.000 0.000) 0.000 31.063 ( 0.000 0.000 0.000) 0.000 31.135 ( 0.000 0.000 0.000) 0.000 31.240 ( 0.000 0.000 0.000) 0.000 32.110 ( 0.000 0.000 0.000) 0.000 32.308 ( 0.000 0.000 0.000) 0.000 32.866 ( 0.000 0.000 0.000) 0.000 34.380 ( 0.000 0.000 0.000) 0.000 34.898 ( 0.000 0.000 0.000) 0.000 49.640 ( 0.000 0.000 0.000) 0.000 49.761 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( 43.099 -0.000 30.760) 52.950 4.583 ( 38.352 -0.000 -8.518) 39.287 5.870 ( 28.797 -0.000 32.980) 43.783 6.701 ( -5.265 0.000 -0.675) 5.308 6.747 ( 8.301 -0.000 2.702) 8.729 7.193 ( 13.873 -0.000 1.960) 14.011 7.404 ( -6.381 0.000 2.933) 7.023 7.842 ( -9.689 0.000 2.411) 9.984 9.463 ( 9.781 0.000 -47.213) 48.216 9.691 ( 26.228 -0.000 19.609) 32.748 10.092 ( 54.762 -0.000 46.150) 71.615 10.627 ( 2.845 -0.000 -1.369) 3.157 10.833 ( -32.418 0.000 -16.781) 36.503 11.079 ( -36.439 0.000 16.392) 39.956 11.245 ( -0.447 0.000 -7.444) 7.458 11.895 ( -2.290 0.000 -18.242) 18.385 12.076 ( -11.548 0.000 4.248) 12.305 12.808 ( 8.145 -0.000 10.135) 13.002 13.520 ( -1.103 0.000 -4.137) 4.281 13.817 ( 50.626 -0.000 -23.097) 55.646 14.398 ( 9.500 -0.000 4.466) 10.497 14.525 ( 10.941 -0.000 -9.538) 14.515 15.074 ( 17.261 -0.000 18.765) 25.497 15.466 ( 27.721 -0.000 -2.142) 27.803 15.475 ( -5.857 0.000 -18.359) 19.271 16.191 ( 12.096 -0.000 -11.664) 16.804 16.204 ( 0.290 0.000 -6.543) 6.550 16.475 ( -5.975 0.000 1.191) 6.092 16.924 ( -6.229 0.000 -19.878) 20.831 17.066 ( 9.588 -0.000 -4.243) 10.485 17.164 ( -1.313 -0.000 5.507) 5.661 17.213 ( -30.853 0.000 13.817) 33.806 17.543 ( -9.951 0.000 -1.175) 10.020 17.641 ( -1.973 -0.000 7.745) 7.992 17.854 ( -0.392 -0.000 11.308) 11.314 18.302 ( -2.591 -0.000 19.710) 19.880 18.664 ( 2.456 -0.000 -1.800) 3.045 18.706 ( -8.559 0.000 -18.332) 20.232 18.940 ( 15.710 -0.000 -6.714) 17.085 19.143 ( -14.270 0.000 2.172) 14.434 19.224 ( -9.843 0.000 -12.772) 16.125 19.453 ( -9.808 0.000 8.217) 12.795 20.003 ( -22.265 0.000 -13.424) 25.999 20.083 ( 2.849 -0.000 17.401) 17.633 20.116 ( -8.570 0.000 3.369) 9.209 20.498 ( 14.662 -0.000 -2.558) 14.884 20.788 ( -3.242 0.000 -3.746) 4.954 20.952 ( -11.826 0.000 -2.564) 12.101 21.798 ( 3.435 -0.000 8.647) 9.304 21.867 ( -2.802 0.000 -4.666) 5.443 21.929 ( 0.339 -0.000 0.214) 0.401 22.056 ( -13.098 0.000 20.213) 24.085 22.239 ( 1.727 -0.000 -2.199) 2.796 22.256 ( -0.988 -0.000 4.521) 4.628 22.400 ( -1.389 -0.000 10.001) 10.097 22.461 ( 3.351 -0.000 3.070) 4.545 22.678 ( -1.521 0.000 0.245) 1.540 22.820 ( -0.111 0.000 -3.550) 3.552 22.896 ( 3.770 0.000 -6.891) 7.855 23.338 ( 8.265 -0.000 -3.861) 9.122 23.359 ( -9.016 0.000 -6.936) 11.375 23.603 ( -5.333 0.000 3.908) 6.612 23.732 ( -5.004 0.000 -0.923) 5.088 23.891 ( -2.008 0.000 -2.895) 3.523 24.051 ( -8.424 0.000 -3.315) 9.053 24.126 ( -7.728 0.000 0.192) 7.730 24.499 ( 3.806 -0.000 -1.129) 3.970 24.908 ( -6.143 0.000 0.315) 6.151 25.046 ( -5.683 0.000 -4.879) 7.491 25.615 ( -0.419 0.000 -1.705) 1.755 26.213 ( 6.594 -0.000 1.334) 6.728 26.335 ( 5.459 -0.000 -2.571) 6.034 26.640 ( 5.126 -0.000 6.404) 8.203 26.837 ( -0.093 0.000 0.066) 0.114 28.353 ( 2.981 -0.000 4.621) 5.499 28.521 ( 0.101 0.000 -5.131) 5.132 28.754 ( 10.310 -0.000 -1.868) 10.478 28.927 ( 5.738 -0.000 0.609) 5.771 29.281 ( -5.665 0.000 -2.462) 6.177 29.380 ( -4.742 0.000 -2.913) 5.565 29.624 ( -2.053 0.000 0.652) 2.154 29.857 ( 1.858 -0.000 7.977) 8.190 29.951 ( -2.286 -0.000 4.006) 4.613 30.188 ( 2.069 -0.000 -0.732) 2.195 30.375 ( -9.760 0.000 -1.810) 9.927 30.579 ( -6.165 0.000 -0.699) 6.204 31.097 ( -3.952 0.000 2.979) 4.949 31.444 ( 6.045 -0.000 -0.905) 6.112 31.634 ( 6.114 -0.000 0.839) 6.171 32.277 ( 5.049 -0.000 -2.111) 5.473 32.691 ( -1.351 0.000 -4.050) 4.269 33.155 ( 5.220 -0.000 -0.073) 5.221 34.380 ( 0.169 -0.000 0.525) 0.551 34.848 ( -0.408 0.000 -1.455) 1.511 49.652 ( 3.030 -0.000 0.176) 3.035 49.875 ( -4.527 0.000 5.468) 7.099 ======================= Grid point 3 (3/105) ======================= q-point: ( 0.39 0.11 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 32.656 -0.161 -0.931) 32.670 5.183 ( 7.855 54.126 16.530) 57.136 6.117 ( 14.762 9.287 67.947) 70.150 6.287 ( 9.296 -8.862 -41.067) 43.028 6.555 ( 2.080 -16.256 -13.728) 21.378 6.750 ( 6.554 -1.693 -4.679) 8.229 6.985 ( 24.680 -11.847 -11.558) 29.716 7.889 ( -14.214 -2.965 4.295) 15.142 8.351 ( -3.468 3.690 0.022) 5.063 8.463 ( 24.829 -5.598 16.667) 30.424 9.546 ( 13.574 -4.376 4.557) 14.972 10.026 ( 16.139 -11.424 -21.510) 29.217 11.253 ( -16.354 20.871 5.808) 27.144 11.666 ( -25.676 -18.233 -3.485) 31.684 11.920 ( -7.658 16.489 11.744) 21.644 12.282 ( -9.740 -20.428 -12.585) 25.895 12.450 ( 16.336 19.492 -2.263) 25.533 12.588 ( 16.038 6.730 -4.216) 17.897 12.958 ( 5.914 -14.068 0.817) 15.283 13.237 ( -3.291 4.020 -10.332) 11.565 13.270 ( -0.935 -12.505 9.193) 15.549 13.647 ( 19.302 -1.765 -1.382) 19.431 13.779 ( 10.037 -11.844 4.396) 16.136 14.690 ( 9.183 -4.326 3.655) 10.789 15.326 ( -6.926 9.576 -5.531) 13.048 15.759 ( 12.424 16.929 -5.863) 21.802 16.669 ( -2.928 9.739 -5.346) 11.488 16.882 ( 4.537 -11.140 2.760) 12.341 16.920 ( -9.022 -3.504 5.434) 11.099 17.106 ( 0.274 4.101 1.274) 4.303 17.264 ( -0.464 2.287 1.490) 2.768 17.377 ( 2.114 -8.499 2.373) 9.074 17.836 ( 2.940 8.482 -2.760) 9.392 18.055 ( 1.893 12.357 7.696) 14.680 18.216 ( -3.288 -16.391 -4.248) 17.249 18.485 ( -8.277 -0.987 3.035) 8.871 18.607 ( -7.915 -7.464 -0.032) 10.879 18.759 ( -8.553 -2.078 3.081) 9.326 19.166 ( 3.626 -2.160 2.909) 5.126 19.235 ( 8.153 6.204 -6.951) 12.381 19.598 ( 2.791 38.850 -4.222) 39.179 19.691 ( 1.187 2.394 4.577) 5.300 19.881 ( 3.285 -0.018 -1.287) 3.528 20.374 ( -9.109 -3.434 -9.262) 13.438 20.459 ( -6.077 -0.528 -3.421) 6.994 20.666 ( 2.832 -29.300 5.758) 29.994 20.920 ( -14.964 -0.365 2.660) 15.203 21.294 ( 1.433 -9.369 3.796) 10.210 21.400 ( -3.596 5.329 -2.472) 6.887 21.871 ( 0.915 1.294 -9.757) 9.885 21.930 ( -6.225 -5.383 5.892) 10.121 22.024 ( -1.667 -1.210 -0.752) 2.193 22.133 ( -1.055 0.630 0.352) 1.278 22.303 ( 1.169 2.239 0.768) 2.640 22.346 ( -2.303 -1.368 0.892) 2.823 22.594 ( 3.488 2.623 2.938) 5.261 22.854 ( -5.367 3.999 -6.882) 9.600 23.051 ( -0.871 -2.211 4.484) 5.075 23.283 ( -9.170 2.298 5.012) 10.700 23.428 ( -0.602 5.361 5.939) 8.023 23.516 ( -11.629 -0.958 -4.128) 12.377 23.643 ( -4.704 -6.472 -7.098) 10.696 23.931 ( -4.462 0.832 -0.558) 4.573 24.036 ( 3.589 -0.505 -3.531) 5.060 24.114 ( 2.854 3.151 2.539) 4.952 24.288 ( 6.784 1.595 6.616) 9.609 24.407 ( 6.367 -2.316 -5.247) 8.569 24.970 ( -2.870 1.949 0.774) 3.555 25.176 ( -6.913 7.193 0.337) 9.982 25.410 ( -2.976 -9.606 -2.388) 10.336 25.837 ( 7.041 -0.918 -0.451) 7.115 26.083 ( 8.402 0.965 0.288) 8.462 26.798 ( -3.715 1.499 -4.852) 6.292 26.865 ( -4.644 -1.618 4.571) 6.714 28.194 ( 6.752 0.535 1.103) 6.863 28.277 ( 3.686 -1.940 -1.063) 4.299 28.512 ( 2.062 -0.653 1.543) 2.657 28.910 ( 1.240 1.143 0.757) 1.849 29.530 ( -4.822 1.184 -0.273) 4.973 29.613 ( -3.401 6.392 -3.377) 7.990 29.729 ( 0.171 3.404 -2.280) 4.101 29.884 ( -0.874 -6.517 8.607) 10.832 30.006 ( 5.252 3.051 -3.534) 7.027 30.195 ( -0.589 -3.085 3.600) 4.777 30.659 ( -4.671 -3.642 -2.053) 6.269 30.728 ( -6.846 -0.558 -0.387) 6.880 31.278 ( -3.014 2.251 0.540) 3.800 31.440 ( -4.302 -0.357 0.689) 4.371 31.528 ( 4.486 5.726 2.178) 7.593 31.690 ( 6.511 -8.065 -3.567) 10.962 32.619 ( 4.890 2.149 -4.090) 6.727 32.810 ( 6.177 -1.408 3.423) 7.201 34.531 ( 0.254 4.554 1.342) 4.754 34.692 ( -0.219 -4.507 -1.456) 4.741 49.694 ( -0.536 1.687 -0.439) 1.824 50.382 ( -6.294 1.590 4.153) 7.706 ======================= Grid point 4 (4/105) ======================= q-point: (-0.61 0.44 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.165 ( 33.792 3.921 1.942) 34.074 5.805 ( -22.729 -2.745 3.082) 23.100 6.127 ( -5.728 34.456 -0.785) 34.938 6.725 ( 2.354 -18.089 1.411) 18.296 6.996 ( 22.464 3.076 -6.782) 23.666 7.291 ( 8.478 2.193 -0.688) 8.784 7.545 ( -7.180 -13.285 -1.825) 15.211 7.643 ( -2.560 -23.109 -4.828) 23.746 8.745 ( 11.191 1.212 0.312) 11.261 9.181 ( -24.241 -0.439 12.560) 27.305 9.721 ( -2.845 -2.090 -6.139) 7.082 9.879 ( -3.145 -7.242 -7.705) 11.032 11.121 ( 15.643 10.153 22.096) 28.914 11.366 ( 14.135 -10.547 0.959) 17.662 12.224 ( 2.239 22.618 -3.485) 22.994 12.390 ( 16.666 -0.503 -3.795) 17.100 12.693 ( -6.737 0.883 -8.455) 10.847 12.790 ( -1.957 0.649 -13.612) 13.767 13.580 ( 9.125 27.334 2.278) 28.907 14.054 ( 21.672 0.745 -5.004) 22.255 14.166 ( -2.471 -7.826 -4.185) 9.212 14.204 ( -7.084 -3.234 -3.752) 8.644 14.643 ( -3.207 -15.351 8.032) 17.619 14.945 ( -5.775 -23.983 -4.930) 25.157 15.341 ( 16.045 19.297 -2.896) 25.263 16.039 ( -14.983 -14.126 1.319) 20.634 16.380 ( -6.135 6.079 -3.151) 9.194 16.715 ( -1.311 -20.124 -2.141) 20.280 16.954 ( 0.965 -3.117 6.161) 6.971 17.072 ( -9.395 0.827 10.029) 13.767 17.552 ( 1.050 12.995 0.039) 13.038 17.649 ( -3.687 7.592 4.736) 9.678 17.948 ( 3.195 2.530 10.355) 11.128 18.034 ( -1.676 10.653 2.942) 11.178 18.195 ( 0.724 -1.084 3.280) 3.530 18.297 ( 10.786 -5.054 14.666) 18.893 18.464 ( -0.718 9.655 2.431) 9.982 18.687 ( -0.238 -11.271 7.582) 13.586 18.836 ( 2.816 -0.736 2.018) 3.542 19.074 ( 0.008 -16.641 3.004) 16.909 19.355 ( 0.521 17.317 1.020) 17.354 19.504 ( -2.346 16.291 -1.746) 16.552 19.648 ( -3.605 15.822 -8.588) 18.360 19.772 ( 9.073 3.700 -8.170) 12.757 20.133 ( -8.844 7.347 -1.359) 11.578 20.367 ( -0.611 -5.473 -1.227) 5.642 20.592 ( 2.033 -7.802 -17.364) 19.144 20.789 ( -7.804 -22.562 -3.694) 24.157 21.239 ( 4.182 9.425 -3.699) 10.954 21.497 ( -1.450 -7.569 0.518) 7.724 21.769 ( -3.427 0.368 -3.952) 5.244 21.863 ( 0.194 -4.638 -6.011) 7.595 22.150 ( 4.563 -6.554 1.185) 8.073 22.181 ( -6.557 1.424 -0.337) 6.718 22.444 ( 1.859 -1.330 4.250) 4.826 22.485 ( -3.371 -1.174 4.108) 5.442 22.851 ( 2.350 0.384 3.478) 4.215 22.924 ( -2.242 2.949 0.250) 3.713 22.968 ( 0.290 -3.083 -0.362) 3.118 23.005 ( -8.624 1.362 -0.142) 8.732 23.515 ( 3.971 -0.737 2.595) 4.801 23.671 ( -11.125 -0.657 3.386) 11.648 23.916 ( 4.816 -2.169 1.578) 5.513 23.964 ( -1.811 1.021 2.889) 3.560 24.228 ( -7.117 10.538 -1.171) 12.770 24.320 ( 6.480 -3.836 -5.306) 9.211 24.328 ( -3.946 8.878 -0.811) 9.749 24.562 ( 1.959 -9.313 -2.555) 9.853 25.005 ( -0.657 16.572 0.833) 16.606 25.317 ( -1.237 -13.982 -1.183) 14.087 26.357 ( 5.487 0.695 2.088) 5.912 26.427 ( -1.277 -0.084 3.011) 3.272 26.687 ( 6.491 0.477 -2.968) 7.153 26.784 ( -2.757 -0.081 -3.022) 4.092 28.445 ( 3.237 -0.890 0.358) 3.376 28.491 ( -2.940 0.683 0.317) 3.035 28.968 ( 6.965 -2.884 0.920) 7.595 29.006 ( -0.023 0.644 -0.436) 0.778 29.381 ( 0.119 1.709 3.206) 3.636 29.413 ( -1.697 4.729 3.237) 5.977 29.560 ( -1.388 0.948 -1.380) 2.174 29.692 ( -5.398 -6.553 -2.072) 8.739 29.992 ( 4.234 4.250 -4.773) 7.666 30.134 ( -5.870 0.273 -1.390) 6.038 30.378 ( -1.859 3.045 1.328) 3.807 30.451 ( -1.384 -5.408 2.212) 6.004 31.212 ( -3.769 4.853 0.813) 6.198 31.276 ( 3.702 -8.504 -0.436) 9.285 31.895 ( -0.288 7.805 0.753) 7.847 32.003 ( 4.740 -8.896 -0.004) 10.080 32.882 ( 4.645 10.090 -0.799) 11.137 33.099 ( -0.735 -7.258 -0.126) 7.296 34.574 ( -1.010 7.530 0.438) 7.610 34.690 ( 1.363 -6.632 0.288) 6.777 49.751 ( 4.135 1.321 0.119) 4.342 49.929 ( -10.356 -2.740 1.298) 10.790 ======================= Grid point 5 (5/105) ======================= q-point: ( 0.39 -0.23 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -44.631 -9.742 -4.679) 45.921 4.197 ( -67.385 9.680 33.212) 75.746 4.932 ( -18.751 89.243 8.140) 91.554 6.341 ( -45.430 -0.589 10.707) 46.678 6.769 ( -15.861 11.210 16.346) 25.385 7.005 ( -13.341 -9.475 8.434) 18.408 7.062 ( -16.378 9.250 9.306) 20.986 7.761 ( 4.368 5.511 1.234) 7.140 8.061 ( 9.788 1.993 9.441) 13.744 9.242 ( -2.136 -31.081 -9.640) 32.612 9.667 ( -2.074 -9.174 -25.804) 27.464 10.697 ( 2.397 -3.099 -5.349) 6.630 10.792 ( 11.190 3.206 2.832) 11.980 11.442 ( 4.412 4.852 11.394) 13.147 11.967 ( 30.700 -8.910 -11.955) 34.129 12.569 ( -4.452 1.224 7.632) 8.920 12.713 ( -17.792 9.914 5.564) 21.114 12.898 ( -8.349 7.976 -3.403) 12.037 13.077 ( -16.544 -20.288 1.539) 26.224 13.437 ( -21.554 18.433 -14.363) 31.791 13.549 ( 5.553 -37.261 -13.303) 39.952 13.901 ( -13.020 2.722 2.756) 13.584 14.714 ( -1.427 0.888 -11.778) 11.898 14.877 ( 1.067 0.371 -0.498) 1.234 15.476 ( 4.610 -18.873 -3.853) 19.807 16.379 ( 5.049 9.026 -6.834) 12.396 16.642 ( -3.679 -3.779 -0.578) 5.305 16.780 ( 0.498 -3.554 -5.529) 6.592 16.883 ( 2.941 -12.211 2.724) 12.852 17.252 ( 1.235 17.529 -4.857) 18.232 17.314 ( -9.005 11.644 -4.765) 15.472 17.581 ( -7.013 5.203 -16.993) 19.105 17.719 ( 1.810 5.061 5.916) 7.993 17.882 ( -5.897 15.911 1.306) 17.019 18.110 ( -3.572 -12.942 -0.681) 13.443 18.270 ( 2.803 9.871 -0.562) 10.277 18.427 ( 7.845 6.328 5.869) 11.663 18.732 ( -1.096 6.116 5.658) 8.403 18.888 ( -1.296 -20.004 9.863) 22.341 19.200 ( 14.008 -6.098 0.072) 15.278 19.235 ( -12.521 -2.734 7.162) 14.681 19.699 ( 9.504 2.849 2.960) 10.354 19.960 ( 3.708 36.502 -1.056) 36.705 20.233 ( 12.745 -0.558 -0.757) 12.780 20.478 ( -2.880 -11.715 10.393) 15.923 20.572 ( 12.763 -12.186 -1.478) 17.708 20.712 ( 6.535 -22.061 -3.579) 23.285 20.876 ( 4.184 -4.587 9.763) 11.570 21.337 ( -3.252 -3.562 -1.085) 4.944 21.539 ( 6.067 -4.484 5.434) 9.298 21.759 ( -5.227 3.113 6.150) 8.651 21.839 ( 3.734 0.295 0.494) 3.778 21.924 ( 1.573 -0.929 14.891) 15.002 22.368 ( 3.005 0.776 -3.273) 4.510 22.415 ( 2.361 -0.266 -2.907) 3.754 22.628 ( 3.968 2.001 -3.372) 5.578 22.857 ( 0.810 4.230 -2.779) 5.126 22.899 ( -4.203 -0.198 -3.950) 5.771 23.040 ( 2.760 3.885 -0.364) 4.779 23.411 ( -7.966 4.221 1.439) 9.129 23.536 ( 9.017 -6.324 -5.812) 12.453 23.650 ( 5.163 -0.038 -0.526) 5.190 23.816 ( -4.026 -3.004 0.376) 5.037 23.966 ( -8.773 8.779 7.186) 14.342 24.348 ( 1.325 -3.539 -9.385) 10.118 24.424 ( 18.173 4.225 -4.817) 19.269 24.735 ( 14.743 4.745 -4.473) 16.121 24.860 ( 10.417 -5.484 4.102) 12.466 25.261 ( 3.581 3.442 0.283) 4.975 25.453 ( 5.536 -14.052 -5.096) 15.939 26.097 ( -8.031 -2.125 -3.721) 9.103 26.334 ( -3.725 0.555 -3.853) 5.388 26.363 ( -7.403 -0.226 5.723) 9.360 26.772 ( -1.694 0.981 6.596) 6.880 28.230 ( -4.489 2.894 2.545) 5.916 28.549 ( -7.086 -2.953 -7.154) 10.493 28.570 ( -4.746 3.694 -0.183) 6.017 28.868 ( -4.215 -0.405 4.489) 6.171 29.499 ( 1.094 -0.852 1.132) 1.790 29.546 ( 3.163 -1.058 -0.670) 3.402 29.678 ( 2.921 0.088 -0.401) 2.950 29.796 ( 5.644 10.579 -1.234) 12.054 29.928 ( -1.692 -0.309 3.792) 4.164 30.253 ( 0.114 6.593 0.465) 6.610 30.541 ( 8.728 -5.038 -2.387) 10.357 30.649 ( 6.927 -3.148 0.253) 7.613 31.124 ( 2.193 2.288 3.066) 4.410 31.345 ( 0.790 0.340 -1.179) 1.460 31.583 ( -8.884 5.734 1.420) 10.668 31.968 ( -5.400 -10.388 -2.566) 11.986 32.752 ( -11.758 -9.977 1.123) 15.461 32.960 ( -0.986 5.267 -1.692) 5.619 34.512 ( -1.018 5.942 0.182) 6.032 34.745 ( 0.877 -6.009 -1.047) 6.162 49.661 ( -0.337 0.708 0.829) 1.141 50.299 ( 15.398 13.817 -4.964) 21.276 ======================= Grid point 6 (6/105) ======================= q-point: (-0.21 0.21 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 29.133 -100.846 -0.000) 104.969 3.717 ( 86.103 -5.008 0.000) 86.248 4.153 ( 36.711 19.854 0.000) 41.736 5.766 ( 126.991 -9.420 0.000) 127.340 6.544 ( 2.929 1.238 0.000) 3.180 7.007 ( 8.291 -0.374 0.000) 8.300 7.084 ( -10.418 2.870 -0.000) 10.806 7.595 ( -13.478 -15.462 -0.000) 20.512 7.896 ( -8.973 0.077 -0.000) 8.973 9.780 ( -16.110 12.610 -0.000) 20.459 10.252 ( -1.271 25.961 0.000) 25.992 10.612 ( 3.523 -2.365 0.000) 4.243 11.033 ( -5.048 -2.223 -0.000) 5.516 11.164 ( 19.535 -3.486 0.000) 19.843 12.160 ( -17.353 -0.977 -0.000) 17.380 12.291 ( 20.876 -14.206 0.000) 25.252 12.508 ( -30.841 2.103 -0.000) 30.913 12.737 ( 10.301 -17.624 0.000) 20.413 13.272 ( 0.695 9.093 0.000) 9.119 13.491 ( 24.079 8.335 0.000) 25.481 13.819 ( 16.813 -3.796 0.000) 17.236 14.589 ( -2.882 -1.480 -0.000) 3.239 14.681 ( -15.301 47.703 0.000) 50.097 15.066 ( -6.525 3.504 -0.000) 7.407 16.000 ( 6.934 26.523 0.000) 27.415 16.242 ( -7.961 -6.240 -0.000) 10.115 16.599 ( 1.697 -8.610 -0.000) 8.776 16.764 ( 3.684 -1.978 0.000) 4.181 16.987 ( -0.640 -19.180 -0.000) 19.191 17.099 ( 14.323 -8.031 0.000) 16.421 17.289 ( -8.789 16.133 -0.000) 18.372 17.434 ( -4.340 -23.965 -0.000) 24.355 17.551 ( 8.865 -3.368 0.000) 9.483 17.806 ( 5.685 -24.235 -0.000) 24.893 17.818 ( -5.726 -5.692 -0.000) 8.074 18.101 ( -10.056 -7.283 -0.000) 12.417 18.564 ( 9.457 10.241 0.000) 13.939 18.753 ( 26.914 9.841 0.000) 28.657 19.001 ( 5.959 7.109 0.000) 9.276 19.195 ( -12.464 -26.753 -0.000) 29.514 19.330 ( -11.881 18.423 -0.000) 21.921 19.350 ( 10.708 14.804 0.000) 18.271 19.927 ( 2.304 -9.916 -0.000) 10.180 19.965 ( -14.704 -9.659 -0.000) 17.593 20.232 ( -10.907 -2.214 -0.000) 11.129 20.757 ( -6.264 7.245 -0.000) 9.578 20.923 ( -14.423 -1.514 -0.000) 14.503 21.309 ( -12.257 -9.754 -0.000) 15.665 21.343 ( -0.556 19.088 0.000) 19.096 21.642 ( 1.318 13.809 0.000) 13.872 21.745 ( -10.829 13.774 -0.000) 17.521 21.747 ( 5.989 3.847 0.000) 7.118 21.840 ( 2.308 -0.185 0.000) 2.316 22.349 ( -4.072 -3.981 -0.000) 5.695 22.452 ( 0.264 -0.533 0.000) 0.595 22.605 ( -5.575 -7.124 -0.000) 9.046 22.778 ( 0.181 -3.738 -0.000) 3.742 22.986 ( -1.991 -1.815 -0.000) 2.694 23.050 ( 7.697 1.690 0.000) 7.881 23.349 ( 8.420 6.080 0.000) 10.385 23.611 ( 8.262 -3.661 0.000) 9.037 23.683 ( 3.514 -1.170 0.000) 3.703 23.715 ( -6.920 -5.922 -0.000) 9.108 23.926 ( -5.288 6.309 -0.000) 8.232 24.239 ( -1.635 -12.920 -0.000) 13.023 24.515 ( -18.352 -0.663 -0.000) 18.364 24.755 ( -28.006 1.971 -0.000) 28.075 24.919 ( -4.307 2.134 -0.000) 4.807 25.236 ( -6.279 2.146 -0.000) 6.635 25.720 ( -5.777 8.105 -0.000) 9.953 26.189 ( 5.154 1.466 0.000) 5.359 26.277 ( 10.615 0.434 0.000) 10.624 26.426 ( 3.294 -1.110 0.000) 3.476 26.639 ( 4.234 -0.646 0.000) 4.284 28.144 ( 3.524 -1.974 0.000) 4.040 28.507 ( 8.626 -2.347 0.000) 8.940 28.748 ( 7.083 4.693 0.000) 8.497 28.814 ( 4.331 1.945 0.000) 4.748 29.405 ( 3.662 -10.335 -0.000) 10.964 29.557 ( -5.153 -0.114 -0.000) 5.154 29.603 ( -4.636 -3.571 -0.000) 5.852 29.691 ( -2.288 0.265 -0.000) 2.303 29.956 ( -0.364 2.253 0.000) 2.282 30.133 ( -3.025 -4.395 -0.000) 5.335 30.628 ( -9.366 1.144 -0.000) 9.435 30.711 ( -6.292 3.464 -0.000) 7.182 31.049 ( -2.333 -0.993 -0.000) 2.535 31.361 ( 3.592 0.381 0.000) 3.612 31.478 ( 9.179 -3.846 0.000) 9.952 32.174 ( 4.858 7.718 0.000) 9.120 32.884 ( -1.245 -4.365 -0.000) 4.539 32.971 ( 9.408 12.034 0.000) 15.275 34.413 ( 0.193 -4.092 -0.000) 4.097 34.853 ( -0.407 4.042 0.000) 4.062 49.636 ( 0.443 -0.667 0.000) 0.800 50.005 ( -11.686 -21.471 -0.000) 24.446 ======================= Grid point 7 (7/105) ======================= q-point: (-0.21 0.54 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.076 ( -22.390 -5.841 -1.249) 23.173 5.326 ( -5.068 -29.489 -1.815) 29.976 5.890 ( 27.527 -0.054 -0.769) 27.538 6.879 ( -7.083 5.780 0.947) 9.191 7.143 ( -11.847 -0.886 4.885) 12.845 7.230 ( -1.502 -1.783 0.313) 2.352 7.642 ( 11.052 0.364 0.046) 11.058 8.141 ( 12.381 14.115 -10.787) 21.654 8.700 ( -17.892 2.868 0.472) 18.126 9.327 ( 2.652 26.319 0.580) 26.459 9.870 ( 6.605 2.715 0.488) 7.158 10.259 ( 3.242 22.125 3.780) 22.678 10.677 ( -14.168 -4.510 -2.565) 15.088 11.307 ( 13.715 -8.215 -3.204) 16.305 11.872 ( -0.467 -15.218 0.670) 15.239 12.196 ( -17.416 -32.919 0.867) 37.252 12.729 ( 3.933 -11.474 4.771) 13.034 13.095 ( 0.529 -2.552 6.634) 7.127 13.536 ( -44.625 23.198 15.797) 52.717 13.658 ( 7.425 -23.583 -4.820) 25.190 14.464 ( -5.100 8.217 9.181) 13.335 14.565 ( -10.652 22.844 -5.726) 25.847 14.951 ( -8.280 13.303 5.237) 16.522 15.184 ( -8.877 -4.393 6.528) 11.862 15.658 ( 1.216 31.631 5.585) 32.144 16.052 ( 12.967 -5.195 -5.781) 15.118 16.342 ( 5.108 1.236 -8.350) 9.866 16.573 ( -3.718 -2.203 -12.315) 13.051 16.921 ( 1.423 0.566 -1.433) 2.097 17.076 ( 0.910 -17.050 -2.260) 17.223 17.371 ( 2.615 -4.180 -5.763) 7.584 17.527 ( 16.012 9.152 4.792) 19.055 17.562 ( -5.241 -13.779 -5.866) 15.866 17.758 ( 0.118 -1.267 3.757) 3.967 17.817 ( 9.543 -9.999 -15.575) 20.824 18.104 ( -1.553 -9.431 -7.646) 12.239 18.382 ( -0.230 11.969 -3.179) 12.386 18.612 ( -3.236 -4.066 -4.519) 6.887 18.828 ( 8.940 -16.854 0.151) 19.079 19.126 ( -11.976 7.754 1.861) 14.388 19.264 ( 2.868 4.142 0.743) 5.093 19.337 ( 9.219 6.537 -5.998) 12.794 19.650 ( -8.644 -0.678 0.755) 8.703 19.896 ( 9.825 -8.779 1.150) 13.226 20.215 ( 0.723 -5.392 19.537) 20.281 20.430 ( 4.781 2.674 -0.899) 5.551 20.835 ( -2.052 -12.774 3.317) 13.357 20.855 ( -9.980 -0.865 8.094) 12.879 21.447 ( 2.704 3.928 6.795) 8.302 21.827 ( -1.336 5.520 5.413) 7.846 21.950 ( 1.835 18.555 0.687) 18.659 22.046 ( 7.160 7.512 -1.585) 10.498 22.132 ( -3.688 1.307 -2.383) 4.581 22.185 ( 9.910 5.207 -3.066) 11.607 22.408 ( 0.504 0.742 3.023) 3.153 22.555 ( -0.628 7.266 2.050) 7.575 22.728 ( -3.403 -2.508 -3.907) 5.757 22.869 ( -1.784 0.198 -2.182) 2.825 22.957 ( 1.769 -0.134 -2.707) 3.237 23.015 ( 2.268 0.937 0.049) 2.454 23.549 ( -0.185 -0.011 4.130) 4.134 23.650 ( 8.183 -0.154 0.737) 8.217 23.815 ( -1.426 -8.728 -4.526) 9.935 23.874 ( 3.051 -0.413 -4.786) 5.690 24.012 ( 3.123 -12.130 0.463) 12.534 24.038 ( -0.964 -9.047 -4.713) 10.246 24.577 ( -0.425 6.042 3.175) 6.839 24.698 ( 2.975 -0.193 -1.614) 3.390 24.828 ( -5.424 -1.833 4.826) 7.488 25.535 ( 0.684 8.518 -0.449) 8.557 26.343 ( -5.181 0.108 1.566) 5.414 26.391 ( 0.066 -0.195 -0.384) 0.435 26.747 ( -4.784 -0.255 3.159) 5.739 26.817 ( 2.396 -0.343 0.214) 2.429 28.424 ( -1.128 -1.019 0.450) 1.586 28.492 ( -0.121 0.878 -1.640) 1.864 28.968 ( -4.845 1.477 -2.423) 5.615 29.034 ( -0.635 1.790 0.260) 1.917 29.207 ( 2.555 -7.272 -3.536) 8.480 29.295 ( 1.694 -1.383 -2.165) 3.078 29.585 ( 0.601 0.028 1.380) 1.505 29.869 ( 2.515 4.508 4.621) 6.928 29.997 ( 0.667 -3.884 3.003) 4.955 30.135 ( -0.405 -1.383 0.151) 1.449 30.310 ( 3.665 -1.581 -1.148) 4.154 30.488 ( 2.926 3.832 -2.511) 5.436 31.127 ( 3.469 -2.071 -1.258) 4.232 31.442 ( -3.314 7.078 0.638) 7.841 31.770 ( -1.153 -3.956 -0.547) 4.157 32.183 ( -3.879 9.443 0.705) 10.233 32.714 ( -3.479 -9.891 1.049) 10.537 33.200 ( -0.653 3.621 -0.331) 3.694 34.446 ( 0.686 -4.854 -0.316) 4.912 34.782 ( -1.042 3.789 -0.170) 3.933 49.726 ( -2.646 -1.169 0.116) 2.895 49.916 ( 9.357 0.540 -2.576) 9.720 ======================= Grid point 8 (8/105) ======================= q-point: (-0.21 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -38.320 2.137 4.492) 38.642 3.251 ( -13.378 -85.495 -30.779) 91.846 4.328 ( -28.913 -7.228 -79.921) 85.297 6.089 ( -42.196 3.238 -64.349) 77.018 6.671 ( -5.744 -8.335 -7.578) 12.645 6.995 ( -12.056 -5.348 -26.583) 29.675 7.324 ( 1.734 20.815 -4.298) 21.325 7.891 ( 8.502 1.419 9.958) 13.171 8.259 ( 4.094 -7.557 6.798) 10.958 8.362 ( -21.391 4.535 48.035) 52.778 9.780 ( 1.161 27.479 2.381) 27.606 10.724 ( 6.706 -13.480 -7.609) 16.870 11.235 ( 2.961 1.963 -15.320) 15.727 11.702 ( 6.942 -0.671 28.788) 29.620 11.927 ( -1.073 -13.497 33.534) 36.164 12.205 ( -13.661 -5.137 0.254) 14.597 12.565 ( -5.827 1.042 -5.835) 8.312 12.764 ( -2.548 -6.755 -16.833) 18.316 12.841 ( 26.215 20.810 7.545) 34.311 13.298 ( -4.288 13.903 -4.582) 15.253 13.693 ( -4.258 1.836 2.981) 5.512 13.997 ( -5.814 24.930 23.340) 34.642 14.199 ( -5.120 6.773 23.810) 25.278 14.621 ( -9.409 -2.902 -2.728) 10.217 15.453 ( -5.644 1.934 16.283) 17.341 15.786 ( -16.498 -8.732 19.837) 27.239 16.568 ( 4.982 -14.026 7.790) 16.800 16.745 ( 4.625 -1.682 -8.283) 9.634 16.895 ( 1.569 -12.689 -1.525) 12.876 16.967 ( -0.189 -6.897 -0.881) 6.955 17.214 ( 2.298 8.640 1.376) 9.045 17.537 ( 1.635 10.622 -13.078) 16.927 17.738 ( -2.330 -3.523 -3.274) 5.345 17.910 ( 0.466 -0.563 6.005) 6.050 18.151 ( 0.645 -2.619 -14.539) 14.787 18.372 ( -1.046 -29.135 -6.457) 29.860 18.478 ( 3.439 -4.931 -6.470) 8.832 18.606 ( -2.727 8.087 -5.913) 10.383 19.011 ( 6.384 -5.509 15.185) 17.369 19.286 ( -6.418 -2.167 -13.692) 15.276 19.417 ( -1.678 18.915 -6.595) 20.102 19.767 ( -5.666 3.974 9.732) 11.942 19.953 ( 4.291 0.536 -1.159) 4.477 20.356 ( 4.474 -3.643 1.591) 5.986 20.600 ( 11.024 -6.247 -0.206) 12.673 20.688 ( 6.782 -4.327 -1.867) 8.258 20.909 ( 1.936 2.532 -6.662) 7.385 21.345 ( 11.094 -4.058 4.495) 12.639 21.632 ( -2.049 32.123 -5.306) 32.622 21.839 ( 3.058 0.807 -14.358) 14.702 21.939 ( -0.471 6.939 -4.272) 8.163 22.065 ( -1.963 1.136 -5.810) 6.237 22.093 ( 6.576 2.357 2.336) 7.366 22.332 ( 3.483 -3.780 7.963) 9.478 22.386 ( -1.633 -0.083 3.052) 3.462 22.511 ( -7.131 -4.380 3.757) 9.173 22.891 ( 6.460 0.169 -12.417) 13.998 22.965 ( 4.227 -0.776 3.562) 5.582 22.995 ( 1.711 -2.317 -2.628) 3.899 23.299 ( 6.374 -4.099 -10.925) 13.295 23.532 ( 0.668 1.506 4.331) 4.634 23.740 ( -10.108 -7.211 -8.610) 15.109 23.839 ( -6.145 1.573 -3.531) 7.260 24.003 ( 11.876 3.650 4.569) 13.238 24.122 ( 2.707 -4.684 4.082) 6.777 24.453 ( 5.773 2.165 14.130) 15.416 24.632 ( -0.369 -2.385 11.923) 12.164 25.076 ( 4.538 0.171 5.886) 7.434 25.119 ( -0.687 -0.954 8.253) 8.337 25.654 ( 5.799 6.654 5.244) 10.267 25.910 ( -6.784 3.496 1.841) 7.851 26.073 ( -8.429 -2.538 3.590) 9.506 26.680 ( 7.395 1.807 -13.457) 15.461 26.831 ( 0.269 -1.365 -1.730) 2.220 28.144 ( -7.477 -1.151 -1.944) 7.811 28.380 ( -4.002 5.089 -0.272) 6.480 28.482 ( -1.277 -0.490 1.443) 1.988 28.808 ( -2.467 -5.703 -1.898) 6.497 29.481 ( 1.800 -6.553 -0.121) 6.796 29.578 ( 3.211 -1.138 2.040) 3.971 29.715 ( 1.041 -0.991 0.482) 1.516 29.772 ( -0.277 1.591 -7.495) 7.667 30.006 ( -1.230 -0.619 -0.202) 1.391 30.167 ( 0.519 -0.657 -0.773) 1.140 30.782 ( 9.834 1.265 2.036) 10.122 30.829 ( 6.043 6.616 2.463) 9.293 31.199 ( -2.925 -0.992 -1.716) 3.533 31.361 ( -7.186 -3.712 -1.207) 8.177 31.436 ( 9.910 -0.244 -4.834) 11.029 31.931 ( -6.390 6.836 4.874) 10.550 32.673 ( -8.709 3.474 0.205) 9.379 32.778 ( -5.438 -2.865 2.297) 6.562 34.421 ( 0.083 -3.678 -0.726) 3.750 34.818 ( 0.117 3.957 1.744) 4.325 49.649 ( 0.486 -3.869 0.536) 3.936 50.168 ( 5.220 -11.761 -4.256) 13.553 ======================= Grid point 9 (9/105) ======================= q-point: ( 0.18 0.32 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 39.236 -0.204 -2.611) 39.323 4.800 ( 24.577 44.334 23.203) 55.748 6.332 ( -16.831 -5.034 7.137) 18.962 6.752 ( 6.304 0.135 -3.713) 7.318 6.915 ( 12.307 5.091 9.975) 16.640 7.267 ( 3.329 -7.294 -4.780) 9.334 7.432 ( 15.903 -3.202 25.482) 30.207 7.912 ( -9.365 2.947 0.429) 9.827 8.503 ( 21.165 -11.502 -24.605) 34.433 9.535 ( 3.052 -25.447 -3.133) 25.820 10.262 ( -24.478 -16.949 -6.363) 30.446 10.448 ( -14.163 -10.454 -1.686) 17.684 10.985 ( 3.377 7.234 -13.247) 15.466 11.347 ( 17.805 10.785 32.461) 38.563 11.513 ( -15.846 -5.629 24.987) 30.118 11.829 ( 30.723 34.465 -33.090) 56.804 12.380 ( 6.039 21.455 1.103) 22.316 13.034 ( 15.153 -3.945 -2.940) 15.932 13.117 ( 28.973 -1.969 -13.558) 32.049 13.561 ( 3.173 5.476 3.470) 7.218 14.130 ( 13.461 -24.789 7.879) 29.288 14.448 ( 11.602 -3.187 -1.484) 12.123 14.971 ( -0.487 -17.347 -3.194) 17.645 15.142 ( 17.836 -12.010 -2.912) 21.699 15.439 ( 34.119 -4.262 -4.565) 34.686 15.925 ( 0.665 5.919 -2.178) 6.342 16.261 ( -2.023 4.924 2.055) 5.707 16.628 ( -12.305 -5.767 -3.919) 14.143 16.900 ( 5.056 27.679 0.393) 28.139 17.011 ( -4.216 0.493 2.675) 5.017 17.275 ( -0.761 -0.867 6.966) 7.061 17.529 ( -2.717 5.125 -2.595) 6.354 17.646 ( -12.483 8.192 11.374) 18.770 17.910 ( -7.578 9.283 10.956) 16.237 18.029 ( -3.539 -8.062 -12.310) 15.135 18.247 ( -9.710 4.979 -1.253) 10.984 18.572 ( -4.081 -10.851 -3.261) 12.043 18.590 ( -18.097 -10.055 2.328) 20.834 18.784 ( 12.312 9.916 -8.118) 17.772 18.997 ( -1.051 -1.099 0.545) 1.616 19.302 ( -16.725 -3.393 9.099) 19.340 19.509 ( -13.653 -0.198 3.937) 14.211 19.805 ( -11.397 2.766 -13.328) 17.753 20.154 ( -9.981 11.225 -2.950) 15.308 20.291 ( 5.770 0.831 1.484) 6.015 20.551 ( 21.511 -0.940 3.713) 21.849 20.816 ( -14.907 -1.443 -2.792) 15.234 20.906 ( -2.532 16.242 -5.759) 17.418 21.680 ( -4.377 -11.686 -5.294) 13.556 21.836 ( -2.937 -3.688 2.877) 5.523 21.899 ( -0.066 -6.168 2.598) 6.693 22.004 ( 0.330 -19.764 0.438) 19.772 22.277 ( -3.202 -1.903 1.043) 3.868 22.314 ( -0.444 1.002 -0.000) 1.096 22.419 ( 4.800 -3.969 -2.097) 6.572 22.593 ( -14.501 -3.600 4.671) 15.654 22.670 ( -1.312 2.115 -0.744) 2.598 22.801 ( 4.496 0.315 2.635) 5.221 22.864 ( -2.690 2.805 2.607) 4.679 23.115 ( -4.577 -4.670 -1.497) 6.708 23.517 ( 6.588 6.831 2.425) 9.795 23.660 ( 0.557 -0.702 2.562) 2.715 23.782 ( -3.614 5.575 -2.641) 7.150 23.924 ( -5.465 0.721 1.253) 5.653 24.085 ( -0.650 13.923 -0.795) 13.961 24.131 ( -11.771 1.293 -2.687) 12.143 24.504 ( 1.484 2.128 4.017) 4.782 24.791 ( -4.835 -5.945 -2.846) 8.175 24.952 ( -1.427 1.647 -6.995) 7.326 25.524 ( -0.158 -8.348 1.032) 8.413 26.242 ( 8.861 -1.269 -0.258) 8.955 26.314 ( 5.173 1.876 0.175) 5.505 26.770 ( 1.768 -0.257 0.594) 1.882 26.779 ( 0.756 0.137 -0.435) 0.883 28.413 ( 2.544 0.233 -2.292) 3.432 28.433 ( 1.985 -0.431 1.714) 2.658 28.759 ( 8.696 -1.241 2.467) 9.124 28.988 ( 3.578 0.780 1.894) 4.123 29.270 ( -4.928 5.818 -2.440) 8.005 29.355 ( -4.935 1.516 -0.730) 5.214 29.630 ( -1.775 0.764 -0.640) 2.036 29.937 ( -1.871 -5.656 5.140) 7.868 30.061 ( -0.434 3.951 -2.116) 4.503 30.138 ( -0.480 1.837 -0.542) 1.975 30.389 ( -7.283 1.489 1.071) 7.511 30.540 ( -5.956 -4.779 0.744) 7.672 31.165 ( -4.936 1.069 2.531) 5.649 31.375 ( 5.161 -4.748 -1.271) 7.127 31.687 ( 5.443 3.859 1.054) 6.755 32.126 ( 5.547 -8.974 -2.680) 10.885 32.698 ( 2.897 8.263 -3.653) 9.488 33.133 ( 4.604 -3.492 1.320) 5.927 34.439 ( -0.027 4.520 0.900) 4.608 34.781 ( 0.208 -3.809 -1.246) 4.013 49.676 ( 2.040 1.352 0.283) 2.463 50.013 ( -8.781 0.935 5.520) 10.414 ======================= Grid point 10 (10/105) ======================= q-point: ( 0.18 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( -40.761 69.899 -14.782) 82.255 4.709 ( -34.865 -6.956 7.447) 36.324 5.375 ( -54.817 3.175 -14.921) 56.900 6.643 ( 1.059 -4.375 -3.471) 5.684 6.806 ( -5.737 0.339 7.410) 9.377 7.184 ( -10.952 -0.861 0.869) 11.020 7.345 ( 7.320 1.453 -0.944) 7.522 7.782 ( 9.418 1.063 -5.051) 10.740 8.739 ( -90.433 1.168 -45.620) 101.295 9.548 ( 10.408 -14.258 -8.018) 19.388 9.984 ( 0.719 -25.126 20.330) 32.328 10.510 ( 25.427 -8.477 -5.007) 27.266 10.863 ( 7.321 2.947 1.410) 8.017 11.191 ( 6.001 -6.019 22.777) 24.311 11.608 ( 0.404 13.909 11.725) 18.196 12.161 ( 17.172 17.950 -4.922) 25.324 12.533 ( -3.331 30.630 5.870) 31.364 12.752 ( -2.401 8.988 -1.132) 9.371 13.517 ( -8.455 -6.356 -7.582) 13.015 13.966 ( -16.884 -11.591 0.942) 20.501 14.104 ( -22.388 -17.791 12.283) 31.122 14.471 ( 3.184 -11.494 -21.816) 24.864 14.783 ( -5.965 -6.788 9.740) 13.286 15.032 ( -18.643 -22.423 -4.578) 29.518 15.886 ( 0.105 -8.515 12.615) 15.220 16.170 ( 0.504 -6.700 0.253) 6.723 16.628 ( 0.002 8.274 10.681) 13.511 16.711 ( -7.581 13.208 3.001) 15.522 16.938 ( 23.224 -14.969 -2.760) 27.768 17.024 ( 9.820 5.021 -0.680) 11.050 17.186 ( 6.227 2.844 0.146) 6.847 17.442 ( -6.378 15.171 10.679) 19.618 17.630 ( 0.665 9.516 3.126) 10.038 17.722 ( -3.553 13.964 7.237) 16.124 17.763 ( 5.133 9.416 -7.957) 13.354 18.140 ( -8.430 14.538 -12.812) 21.132 18.637 ( -0.236 -8.380 3.919) 9.254 18.901 ( -8.896 -4.621 13.771) 17.033 19.011 ( 4.197 8.063 -1.716) 9.250 19.130 ( 8.443 -9.877 -10.827) 16.913 19.323 ( -2.314 -2.989 7.427) 8.334 19.464 ( -3.074 2.040 7.885) 8.705 19.670 ( 4.376 -5.704 -8.872) 11.419 19.963 ( 6.881 4.202 -7.657) 11.119 20.407 ( 18.950 6.930 11.180) 23.068 20.594 ( 3.330 -6.873 5.955) 9.684 20.626 ( 1.433 -5.800 -17.836) 18.810 21.085 ( 5.641 13.147 -0.776) 14.327 21.405 ( 3.579 -16.872 -11.635) 20.806 21.699 ( 5.419 4.484 -13.624) 15.332 21.727 ( -1.306 -23.702 -5.840) 24.446 21.892 ( -1.815 -3.264 -1.839) 4.162 21.921 ( -2.410 -0.172 -1.848) 3.042 22.299 ( -0.775 0.408 1.633) 1.853 22.396 ( 1.343 1.000 6.116) 6.341 22.508 ( 0.778 3.898 0.542) 4.011 22.764 ( -0.957 3.772 1.445) 4.151 22.898 ( 4.061 1.709 1.617) 4.693 23.008 ( -0.019 -0.661 5.380) 5.420 23.367 ( 8.947 -5.869 9.788) 14.502 23.470 ( 3.279 0.120 -3.503) 4.800 23.605 ( -3.008 3.074 4.105) 5.946 23.852 ( 4.758 4.836 0.180) 6.786 23.925 ( -1.814 2.065 -1.120) 2.968 24.108 ( 7.437 1.500 -0.533) 7.606 24.279 ( 9.450 9.983 2.853) 14.039 24.433 ( -2.500 -0.906 -4.004) 4.807 24.821 ( 7.896 -5.200 -1.390) 9.556 25.094 ( 8.566 0.182 -0.944) 8.620 25.584 ( 3.007 -8.671 2.970) 9.646 26.247 ( -5.881 0.083 3.312) 6.750 26.401 ( -3.018 0.063 3.910) 4.940 26.533 ( -9.043 0.133 -3.567) 9.722 26.784 ( -0.559 0.655 -4.854) 4.930 28.271 ( -4.294 1.865 -3.858) 6.066 28.579 ( 0.128 -0.490 1.721) 1.794 28.799 ( -9.815 -3.873 5.405) 11.855 28.982 ( -7.178 0.962 0.248) 7.247 29.377 ( 5.235 6.255 2.277) 8.469 29.456 ( 4.925 3.442 1.422) 6.174 29.586 ( 1.415 -0.988 -3.036) 3.492 29.680 ( -0.041 -1.870 -3.753) 4.194 29.937 ( 0.202 2.116 -0.471) 2.177 30.152 ( 1.186 2.683 -4.862) 5.679 30.428 ( 7.693 -0.856 2.812) 8.235 30.581 ( 5.242 -2.438 1.413) 5.951 31.051 ( 0.968 1.609 -2.356) 3.012 31.423 ( -3.699 -3.852 0.952) 5.424 31.650 ( -6.802 3.588 -0.664) 7.719 32.227 ( -2.690 -8.247 1.669) 8.834 32.827 ( 1.682 6.160 1.949) 6.677 33.107 ( -5.569 -6.288 0.153) 8.401 34.420 ( -0.432 4.804 -0.128) 4.825 34.833 ( 0.596 -4.201 0.871) 4.332 49.671 ( -2.948 1.083 -0.085) 3.141 49.864 ( 5.113 8.318 -1.400) 9.864 ======================= Grid point 11 (11/105) ======================= q-point: ( 0.18 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 0.000 14.352 66.529) 68.059 2.525 ( 0.000 80.747 45.881) 92.871 2.648 ( 0.000 2.953 18.760) 18.991 3.113 ( 0.000 49.140 100.463) 111.837 6.545 ( 0.000 2.483 3.051) 3.934 6.825 ( 0.000 1.097 -0.505) 1.208 7.316 ( -0.000 -12.495 2.608) 12.764 8.097 ( -0.000 -2.163 -0.879) 2.334 8.462 ( 0.000 3.125 -3.668) 4.819 9.366 ( -0.000 -11.196 -57.731) 58.807 9.943 ( -0.000 -23.321 -12.174) 26.307 10.645 ( 0.000 20.201 5.012) 20.813 10.805 ( 0.000 0.654 22.284) 22.294 11.660 ( -0.000 -13.036 33.832) 36.257 11.900 ( 0.000 10.330 2.385) 10.601 12.296 ( 0.000 20.362 -0.133) 20.363 12.512 ( 0.000 0.944 6.420) 6.489 12.914 ( -0.000 -4.809 -26.502) 26.935 13.000 ( -0.000 -24.337 3.015) 24.523 13.213 ( -0.000 -7.593 2.450) 7.978 13.834 ( -0.000 -0.865 -9.702) 9.740 14.603 ( -0.000 -13.282 -19.247) 23.385 14.734 ( -0.000 -35.765 -22.248) 42.120 14.840 ( -0.000 0.277 -31.613) 31.614 15.624 ( 0.000 21.260 -15.073) 26.061 16.046 ( -0.000 -4.798 -23.290) 23.779 16.760 ( 0.000 10.612 6.475) 12.432 16.817 ( 0.000 16.112 -10.439) 19.199 16.860 ( 0.000 6.754 1.585) 6.938 16.883 ( 0.000 7.004 -5.061) 8.641 17.270 ( -0.000 -9.948 12.019) 15.602 17.286 ( -0.000 -19.055 2.185) 19.180 17.674 ( 0.000 6.822 9.781) 11.925 17.789 ( 0.000 23.444 2.149) 23.543 17.994 ( -0.000 -3.303 6.461) 7.257 18.209 ( 0.000 16.152 10.188) 19.097 18.308 ( -0.000 -8.924 11.714) 14.726 18.426 ( 0.000 9.079 6.161) 10.972 18.864 ( 0.000 -0.013 8.226) 8.226 19.248 ( -0.000 -15.504 6.182) 16.692 19.384 ( 0.000 10.471 -2.324) 10.725 19.710 ( -0.000 -10.657 5.825) 12.145 19.967 ( 0.000 12.637 18.211) 22.166 20.194 ( 0.000 9.834 -6.351) 11.706 20.761 ( 0.000 5.884 -11.641) 13.043 20.919 ( -0.000 -3.702 -11.546) 12.125 21.015 ( -0.000 -2.188 -7.321) 7.640 21.481 ( -0.000 -2.389 3.996) 4.655 21.490 ( -0.000 -28.547 7.081) 29.412 21.558 ( -0.000 -7.380 9.223) 11.812 21.804 ( -0.000 -4.695 11.399) 12.328 21.975 ( -0.000 -5.265 2.078) 5.660 22.312 ( 0.000 3.605 -7.588) 8.401 22.335 ( -0.000 -3.955 1.860) 4.371 22.473 ( 0.000 1.294 0.159) 1.303 22.600 ( 0.000 5.882 -10.120) 11.705 22.748 ( 0.000 -0.100 6.231) 6.232 22.926 ( 0.000 6.099 6.190) 8.690 23.014 ( 0.000 1.706 23.069) 23.132 23.096 ( -0.000 -3.724 -4.202) 5.615 23.290 ( -0.000 -3.151 5.013) 5.921 23.617 ( -0.000 -1.322 -2.946) 3.229 23.711 ( 0.000 8.315 1.044) 8.380 24.167 ( -0.000 -0.086 -4.331) 4.332 24.382 ( 0.000 10.106 -3.262) 10.620 24.839 ( -0.000 -6.649 -16.973) 18.229 25.032 ( -0.000 1.729 -19.004) 19.082 25.040 ( 0.000 0.856 5.102) 5.174 25.450 ( -0.000 -2.428 -12.308) 12.545 25.841 ( -0.000 -8.817 -3.554) 9.506 25.858 ( -0.000 -2.145 -2.083) 2.990 26.131 ( 0.000 2.357 -11.621) 11.857 26.410 ( 0.000 -2.473 20.101) 20.253 26.703 ( 0.000 1.418 9.642) 9.745 28.051 ( 0.000 2.153 -0.797) 2.296 28.269 ( 0.000 0.459 3.734) 3.762 28.545 ( -0.000 -4.069 -3.376) 5.287 28.760 ( 0.000 3.962 0.022) 3.962 29.373 ( 0.000 8.092 7.103) 10.767 29.650 ( -0.000 -0.330 -1.630) 1.663 29.720 ( 0.000 3.622 0.417) 3.646 29.736 ( 0.000 0.342 -0.669) 0.752 29.991 ( -0.000 -2.773 1.255) 3.043 30.191 ( 0.000 4.148 -2.841) 5.027 30.950 ( -0.000 -9.728 0.166) 9.730 30.978 ( -0.000 -6.158 -3.137) 6.911 31.067 ( 0.000 5.175 2.973) 5.968 31.268 ( 0.000 2.693 1.053) 2.891 31.428 ( -0.000 -2.133 8.800) 9.054 31.970 ( -0.000 -7.454 -4.636) 8.778 32.374 ( -0.000 -2.066 6.500) 6.821 32.859 ( 0.000 3.650 -4.153) 5.529 34.413 ( 0.000 3.151 0.236) 3.160 34.851 ( -0.000 -3.395 -1.334) 3.648 49.660 ( 0.000 0.968 0.840) 1.281 50.415 ( 0.000 33.689 -26.096) 42.614 ======================= Grid point 12 (12/105) ======================= q-point: (-0.42 0.42 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.288 ( 31.909 5.629 0.000) 32.402 5.744 ( -17.898 -4.879 -0.000) 18.551 5.763 ( 24.385 -67.181 -0.000) 71.470 6.584 ( 14.548 14.289 0.000) 20.392 7.227 ( -8.921 -5.537 -0.000) 10.500 7.258 ( 29.487 13.200 0.000) 32.307 7.367 ( 7.960 1.676 0.000) 8.135 7.508 ( -9.610 7.777 -0.000) 12.363 8.883 ( 0.597 12.671 0.000) 12.685 9.383 ( -23.364 6.330 -0.000) 24.206 9.700 ( -4.218 0.886 -0.000) 4.310 9.763 ( 3.097 14.852 0.000) 15.171 11.032 ( 33.445 -16.874 0.000) 37.460 11.668 ( 2.161 7.246 0.000) 7.562 12.153 ( -0.880 -11.182 -0.000) 11.216 12.277 ( 8.358 -23.126 -0.000) 24.590 12.640 ( -19.698 -0.688 -0.000) 19.710 12.929 ( -19.991 30.721 -0.000) 36.652 13.558 ( 22.755 -15.391 0.000) 27.471 13.633 ( 12.095 -25.085 0.000) 27.848 14.253 ( -4.228 -5.367 -0.000) 6.832 14.342 ( -0.807 19.303 0.000) 19.320 14.664 ( 7.870 24.356 0.000) 25.596 14.929 ( -0.270 17.006 0.000) 17.008 15.752 ( -36.754 -13.053 -0.000) 39.003 15.775 ( 16.289 27.194 0.000) 31.700 16.231 ( -1.707 -16.745 -0.000) 16.832 16.616 ( -0.990 20.390 0.000) 20.414 17.059 ( 5.793 -2.364 0.000) 6.256 17.197 ( -9.269 -4.222 -0.000) 10.185 17.500 ( 1.631 -21.143 -0.000) 21.206 17.631 ( 3.610 -10.024 -0.000) 10.654 17.944 ( 6.155 -1.431 0.000) 6.319 18.076 ( 9.083 -16.787 0.000) 19.087 18.263 ( 7.430 -6.624 0.000) 9.954 18.432 ( 6.857 8.294 0.000) 10.762 18.476 ( -10.815 -1.748 -0.000) 10.955 18.841 ( 2.200 -3.241 0.000) 3.917 18.945 ( 3.474 21.383 0.000) 21.664 19.028 ( -1.452 6.046 0.000) 6.218 19.340 ( 0.587 2.602 0.000) 2.668 19.521 ( -6.631 -42.579 -0.000) 43.092 19.599 ( -15.143 2.560 -0.000) 15.358 20.052 ( 13.143 3.949 0.000) 13.724 20.191 ( -12.451 15.331 -0.000) 19.750 20.259 ( -1.920 -9.470 -0.000) 9.662 20.358 ( -7.089 5.964 -0.000) 9.264 20.659 ( 1.974 34.328 0.000) 34.385 21.235 ( -3.709 -16.672 -0.000) 17.079 21.472 ( 2.086 12.925 0.000) 13.092 21.621 ( 2.289 -11.201 -0.000) 11.432 21.846 ( -1.119 5.592 0.000) 5.703 22.055 ( 6.300 -3.001 0.000) 6.978 22.235 ( -3.602 4.378 -0.000) 5.670 22.496 ( 1.668 0.228 0.000) 1.684 22.531 ( -1.812 -0.377 -0.000) 1.851 22.875 ( -1.352 -1.045 -0.000) 1.709 22.887 ( 2.606 -3.994 0.000) 4.769 22.920 ( -6.357 -0.856 -0.000) 6.414 23.086 ( -8.758 5.577 -0.000) 10.383 23.596 ( 3.085 1.505 0.000) 3.433 23.708 ( -8.877 -0.243 -0.000) 8.880 23.867 ( 5.744 -6.393 0.000) 8.595 23.994 ( -2.575 -1.424 -0.000) 2.942 24.088 ( 7.992 -2.308 0.000) 8.319 24.208 ( -0.580 -8.828 -0.000) 8.847 24.507 ( -11.009 3.858 -0.000) 11.665 24.561 ( 2.178 10.461 0.000) 10.685 25.008 ( -3.417 -15.035 -0.000) 15.418 25.323 ( -2.624 15.270 0.000) 15.494 26.403 ( 5.213 0.177 0.000) 5.216 26.470 ( -1.935 -0.425 -0.000) 1.982 26.657 ( 6.196 0.155 0.000) 6.198 26.727 ( -1.750 -0.803 -0.000) 1.925 28.388 ( 5.334 -3.545 0.000) 6.404 28.537 ( -4.033 1.942 -0.000) 4.476 28.959 ( 5.191 0.895 0.000) 5.267 29.031 ( 1.652 3.143 0.000) 3.551 29.431 ( 0.626 -1.964 -0.000) 2.061 29.498 ( -1.983 0.791 -0.000) 2.135 29.529 ( -3.979 -7.180 -0.000) 8.209 29.585 ( -0.063 3.152 0.000) 3.153 29.995 ( 5.032 1.770 0.000) 5.334 30.070 ( -7.186 -4.765 -0.000) 8.622 30.391 ( -1.229 -2.973 -0.000) 3.216 30.471 ( -1.264 4.423 0.000) 4.601 31.136 ( 3.918 -5.699 0.000) 6.916 31.337 ( -2.154 7.372 0.000) 7.681 31.854 ( 4.335 -6.990 0.000) 8.225 32.072 ( -1.670 9.752 0.000) 9.894 32.944 ( -2.347 -8.809 -0.000) 9.116 33.051 ( 3.826 8.747 0.000) 9.547 34.557 ( 1.134 -7.602 -0.000) 7.686 34.719 ( -1.082 6.977 0.000) 7.060 49.771 ( 6.491 0.590 0.000) 6.518 49.867 ( -7.520 -5.039 -0.000) 9.053 ======================= Grid point 13 (13/105) ======================= q-point: ( 0.58 -0.24 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( -42.565 -2.998 -0.624) 42.675 5.410 ( -39.997 9.363 57.531) 70.691 5.767 ( -9.315 -24.293 -16.270) 30.686 6.430 ( 5.429 21.496 -0.559) 22.178 6.859 ( -8.967 3.332 2.499) 9.887 7.065 ( -23.379 5.516 2.437) 24.145 7.546 ( 18.639 12.305 1.050) 22.359 8.002 ( -17.122 -5.739 -19.783) 26.786 8.225 ( -2.654 -1.595 -8.588) 9.129 9.015 ( -20.668 11.035 -10.478) 25.666 9.108 ( -44.157 8.053 47.966) 65.692 10.772 ( 33.512 9.982 1.359) 34.993 10.867 ( 12.058 -4.490 2.205) 13.054 11.416 ( 17.476 -10.506 -16.865) 26.461 11.842 ( 4.014 12.084 2.365) 12.951 12.157 ( -2.204 -13.958 -31.584) 34.601 12.550 ( -7.024 -24.758 9.304) 27.366 12.680 ( -7.892 -22.704 10.583) 26.264 13.012 ( -20.686 -5.046 3.342) 21.554 13.287 ( -15.825 12.435 2.876) 20.331 13.697 ( -11.978 27.398 -15.785) 33.812 14.064 ( -13.392 12.358 -3.242) 18.509 14.360 ( -19.721 9.298 -14.506) 26.188 14.921 ( -9.674 -0.984 1.655) 9.864 15.178 ( 4.510 -13.858 -0.815) 14.596 15.957 ( -10.376 -20.392 -4.856) 23.389 16.539 ( 5.541 -6.301 -3.785) 9.205 16.706 ( 9.361 8.057 -0.399) 12.357 17.083 ( -8.115 -5.422 7.428) 12.265 17.201 ( 1.012 18.268 -7.513) 19.778 17.310 ( 4.405 -0.831 -11.369) 12.221 17.557 ( -11.001 -6.404 -4.175) 13.396 17.782 ( 8.196 0.837 7.700) 11.276 17.939 ( 0.718 0.568 3.450) 3.570 18.228 ( -0.772 1.686 2.464) 3.084 18.345 ( 6.091 1.033 -8.635) 10.618 18.525 ( 6.445 6.432 -3.224) 9.660 18.705 ( 1.109 15.213 0.031) 15.253 19.014 ( 19.920 -1.556 -0.088) 19.981 19.183 ( 6.806 -6.373 5.760) 10.960 19.472 ( 5.009 -8.709 11.254) 15.086 19.607 ( -9.731 -28.237 9.452) 31.326 19.955 ( -3.636 0.176 14.378) 14.831 20.056 ( 9.330 -9.239 -10.021) 16.517 20.377 ( 4.855 -7.571 -4.353) 9.992 20.676 ( 7.755 -2.154 3.693) 8.855 20.728 ( 3.549 29.791 2.339) 30.093 21.202 ( 1.045 -10.723 5.675) 12.177 21.295 ( 7.399 15.230 2.693) 17.145 21.588 ( 0.902 0.263 9.131) 9.179 21.887 ( 2.492 0.168 2.780) 3.737 21.965 ( 0.121 4.044 2.063) 4.541 22.137 ( -4.325 2.076 2.728) 5.519 22.303 ( 1.516 -3.588 4.111) 5.663 22.367 ( 3.567 1.813 -3.923) 5.604 22.594 ( 4.228 -2.802 1.533) 5.299 22.788 ( -5.204 0.999 -5.413) 7.575 22.979 ( 10.991 4.320 3.665) 12.365 23.099 ( 3.994 2.401 -0.930) 4.752 23.253 ( 15.408 -1.199 -7.530) 17.191 23.560 ( -4.887 3.829 -2.713) 6.775 23.610 ( -0.748 -2.260 0.675) 2.474 23.805 ( -4.747 -2.250 4.336) 6.811 24.000 ( 1.728 -9.745 -4.235) 10.765 24.233 ( 0.170 4.644 -0.588) 4.684 24.397 ( 0.330 5.483 -1.844) 5.794 24.582 ( 6.647 -7.341 -6.705) 11.960 24.923 ( 9.776 0.967 0.121) 9.825 25.050 ( 7.557 -11.260 -5.753) 14.731 25.374 ( -0.763 8.575 -0.539) 8.626 26.019 ( -9.873 -0.639 -0.474) 9.905 26.259 ( -6.106 -0.840 -2.169) 6.535 26.554 ( -1.621 -0.405 10.855) 10.982 26.863 ( 1.334 0.914 -0.180) 1.627 28.308 ( -4.304 0.918 1.181) 4.557 28.401 ( -5.987 -0.344 -3.504) 6.946 28.624 ( -5.186 3.667 -1.993) 6.656 28.941 ( -2.500 0.753 1.512) 3.017 29.457 ( 3.276 -6.165 -0.861) 7.034 29.480 ( 3.733 -2.770 0.829) 4.722 29.673 ( 2.562 -0.683 0.505) 2.699 29.904 ( 1.558 0.273 5.380) 5.608 30.033 ( 0.547 3.994 -2.368) 4.676 30.313 ( 0.435 1.440 -6.066) 6.250 30.487 ( 5.973 3.653 3.051) 7.638 30.600 ( 7.576 -0.293 -1.327) 7.697 31.218 ( 0.575 1.228 2.177) 2.565 31.330 ( 5.190 0.796 -1.227) 5.392 31.717 ( -7.012 -6.241 -2.010) 9.600 31.767 ( -7.470 5.923 2.106) 9.763 32.649 ( -8.501 -7.834 4.270) 12.324 33.005 ( -4.336 4.605 -2.976) 6.990 34.568 ( -0.309 -4.042 -1.607) 4.361 34.664 ( 0.083 3.470 0.937) 3.595 49.678 ( -0.264 -0.744 0.481) 0.924 50.335 ( 12.169 4.514 -7.128) 14.808 ======================= Grid point 14 (14/105) ======================= q-point: (-0.42 0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 35.252 2.557 1.781) 35.390 4.523 ( 25.211 -13.777 -77.684) 82.826 4.885 ( 9.805 -78.548 -14.234) 80.427 6.061 ( 31.786 0.883 -42.870) 53.376 6.778 ( 4.553 -3.102 -1.288) 5.658 6.929 ( 6.931 21.867 -3.533) 23.209 7.238 ( 10.838 -22.799 -31.523) 40.385 7.781 ( 2.357 8.070 27.528) 28.783 8.247 ( 13.776 2.944 30.323) 33.436 8.370 ( -6.014 0.712 -1.594) 6.263 9.204 ( 3.307 29.318 1.767) 29.557 11.045 ( -18.786 -18.260 -2.277) 26.297 11.212 ( -7.416 -0.303 3.943) 8.405 11.736 ( -6.727 -0.668 -8.002) 10.475 11.856 ( 1.481 12.890 40.149) 42.193 12.433 ( 9.906 -8.927 -3.910) 13.897 12.503 ( 1.129 12.206 9.451) 15.479 12.658 ( 9.617 -5.616 1.193) 11.201 12.895 ( 13.536 3.309 -1.721) 14.040 12.981 ( -6.533 2.019 -10.187) 12.269 13.381 ( 1.534 32.155 2.603) 32.297 13.693 ( 7.287 -2.513 6.381) 10.006 14.152 ( 2.270 0.777 29.216) 29.314 14.666 ( 12.147 -2.630 2.393) 12.657 15.460 ( -7.285 2.106 7.547) 10.699 15.961 ( 13.772 -5.823 13.394) 20.074 16.758 ( -3.826 1.134 -5.149) 6.514 16.807 ( -3.132 -0.236 3.230) 4.505 16.897 ( -0.972 2.898 2.515) 3.958 17.049 ( 1.680 -0.527 -0.561) 1.848 17.253 ( 1.240 -14.184 -3.790) 14.734 17.365 ( 0.943 0.827 2.084) 2.432 17.868 ( -1.346 -11.042 0.560) 11.138 17.995 ( 0.133 2.087 1.232) 2.427 18.214 ( -10.607 -1.261 -19.217) 21.986 18.261 ( 6.477 2.450 0.036) 6.925 18.592 ( -3.513 -3.304 -0.454) 4.844 18.797 ( -4.233 -1.661 2.496) 5.187 19.004 ( 5.170 13.809 -8.428) 16.984 19.293 ( 10.122 0.221 -15.044) 18.133 19.457 ( -11.719 -22.057 1.011) 24.997 19.827 ( 5.452 -18.625 13.329) 23.543 19.943 ( -2.130 0.798 -3.536) 4.204 20.415 ( -6.018 -3.193 -1.674) 7.016 20.564 ( -1.340 19.755 -0.206) 19.802 20.595 ( -6.396 25.862 8.140) 27.857 20.843 ( -11.760 -5.288 -4.487) 13.652 21.171 ( 4.249 2.309 -9.699) 10.838 21.372 ( -4.084 2.597 -4.490) 6.602 21.755 ( 2.820 10.323 -10.376) 14.905 21.888 ( -5.495 -3.654 -7.713) 10.151 22.032 ( -6.735 1.782 -3.327) 7.721 22.076 ( 0.475 0.126 2.139) 2.195 22.343 ( 2.802 1.776 2.228) 3.996 22.423 ( -5.037 -3.413 7.622) 9.753 22.613 ( 4.757 -4.736 1.477) 6.873 22.810 ( -5.605 5.744 -8.129) 11.423 23.033 ( -3.302 -4.911 -0.693) 5.958 23.106 ( -8.482 -7.604 -5.031) 12.453 23.375 ( 1.662 -4.465 -6.780) 8.287 23.495 ( -1.837 2.453 2.282) 3.821 23.749 ( 9.775 3.845 -11.564) 15.622 23.871 ( -14.508 6.195 9.535) 18.433 23.920 ( 9.024 -5.227 -7.821) 13.035 24.154 ( -0.404 4.017 9.354) 10.188 24.458 ( -5.704 -3.219 13.181) 14.719 24.685 ( 0.355 -2.428 14.035) 14.248 25.075 ( -4.992 0.396 9.514) 10.752 25.172 ( -1.815 -5.936 -0.085) 6.208 25.470 ( -5.303 12.300 3.823) 13.930 25.862 ( 7.254 1.739 2.086) 7.745 26.110 ( 7.944 -1.374 3.140) 8.652 26.636 ( -5.767 2.714 -13.516) 14.944 26.864 ( -1.285 -2.066 -1.933) 3.107 28.176 ( 5.846 -2.264 -1.125) 6.369 28.302 ( 5.271 2.937 1.931) 6.335 28.506 ( 1.579 -2.042 0.766) 2.693 28.880 ( 1.529 -2.146 -2.159) 3.407 29.555 ( -4.019 -0.847 1.436) 4.351 29.612 ( -1.649 1.118 -3.710) 4.211 29.725 ( -0.230 1.240 -1.807) 2.204 29.830 ( -1.457 -11.701 3.236) 12.228 29.982 ( 2.337 3.828 -4.485) 6.343 30.201 ( 0.628 -3.431 3.056) 4.638 30.680 ( -6.519 6.352 0.837) 9.140 30.767 ( -6.426 1.975 2.189) 7.070 31.238 ( -2.085 -2.716 -2.961) 4.527 31.412 ( -1.329 -0.758 -1.740) 2.317 31.477 ( 2.001 -5.341 -2.802) 6.355 31.773 ( 6.272 9.528 4.180) 12.149 32.588 ( 9.397 5.194 -4.967) 11.831 32.848 ( 2.962 -4.168 5.004) 7.155 34.508 ( 0.395 -5.172 -0.855) 5.257 34.727 ( -0.378 5.316 1.791) 5.622 49.689 ( -0.619 -0.510 -0.968) 1.257 50.401 ( -7.949 -11.070 6.256) 14.996 ======================= Grid point 15 (15/105) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.730 ( -12.080 0.000 -11.049) 16.371 5.201 ( -35.920 0.000 3.373) 36.078 5.857 ( 30.502 -0.000 -2.592) 30.612 6.965 ( -6.603 0.000 -1.359) 6.742 7.031 ( -6.511 0.000 -3.599) 7.440 7.338 ( 0.018 -0.000 2.349) 2.349 7.599 ( 2.895 -0.000 -3.788) 4.767 7.917 ( -8.396 0.000 -12.163) 14.779 8.943 ( -10.169 0.000 14.135) 17.413 9.738 ( 21.979 -0.000 9.545) 23.963 9.846 ( -0.273 0.000 -1.555) 1.579 10.620 ( 4.781 -0.000 -0.148) 4.783 10.774 ( 6.125 -0.000 7.792) 9.911 11.162 ( 12.082 -0.000 -8.957) 15.041 11.612 ( -5.753 0.000 5.458) 7.930 11.805 ( -14.246 0.000 -0.378) 14.251 12.500 ( -26.548 0.000 -21.224) 33.989 13.098 ( 1.424 -0.000 0.900) 1.685 13.304 ( 11.200 -0.000 -1.837) 11.349 14.346 ( -47.735 0.000 22.425) 52.740 14.633 ( -5.656 0.000 1.252) 5.792 14.696 ( -14.816 0.000 -5.245) 15.716 15.160 ( -1.578 -0.000 4.753) 5.008 15.464 ( -4.601 -0.000 14.778) 15.478 15.724 ( -0.486 0.000 -10.971) 10.982 16.051 ( 36.698 -0.000 -3.213) 36.838 16.223 ( -3.000 0.000 -2.143) 3.687 16.433 ( 1.902 -0.000 -2.087) 2.823 16.659 ( -26.609 0.000 0.398) 26.612 17.079 ( -0.926 0.000 0.426) 1.019 17.195 ( 10.391 -0.000 -12.720) 16.425 17.241 ( 1.289 0.000 -2.288) 2.626 17.348 ( 3.120 -0.000 1.392) 3.417 17.659 ( 7.322 -0.000 -1.206) 7.421 17.923 ( 8.856 -0.000 4.830) 10.087 18.244 ( -0.608 -0.000 7.214) 7.240 18.447 ( 2.328 -0.000 -1.373) 2.703 18.489 ( 8.572 -0.000 4.223) 9.556 18.627 ( 12.847 -0.000 -1.509) 12.935 19.110 ( 0.387 0.000 -10.393) 10.401 19.278 ( -17.820 0.000 5.024) 18.514 19.425 ( 2.601 -0.000 -1.457) 2.981 19.530 ( 9.675 -0.000 1.418) 9.779 19.912 ( 5.507 -0.000 2.488) 6.042 20.406 ( -2.077 0.000 0.303) 2.099 20.513 ( 10.341 -0.000 4.162) 11.147 20.674 ( 0.173 -0.000 0.311) 0.356 21.016 ( -18.932 0.000 -0.618) 18.942 21.551 ( 11.939 -0.000 5.041) 12.960 21.864 ( 0.033 0.000 -1.246) 1.246 21.956 ( -0.394 0.000 -0.418) 0.575 22.068 ( 11.993 -0.000 -6.837) 13.805 22.207 ( 1.790 -0.000 2.878) 3.389 22.262 ( -0.874 0.000 -0.883) 1.243 22.598 ( -4.106 0.000 1.902) 4.525 22.669 ( -6.840 0.000 -1.826) 7.080 22.669 ( 2.952 -0.000 -3.495) 4.574 22.875 ( -5.429 0.000 1.595) 5.659 22.896 ( -2.690 0.000 -2.415) 3.615 23.063 ( 8.628 -0.000 3.333) 9.250 23.473 ( -4.584 0.000 -1.246) 4.750 23.652 ( 1.056 -0.000 1.909) 2.182 23.694 ( -2.061 0.000 -5.539) 5.910 23.740 ( 4.897 -0.000 -0.671) 4.943 23.853 ( 10.370 -0.000 3.799) 11.044 23.962 ( 0.859 -0.000 -0.846) 1.205 24.592 ( -4.913 0.000 -0.320) 4.923 24.794 ( 2.557 -0.000 2.039) 3.270 24.872 ( 2.714 -0.000 2.329) 3.577 25.609 ( -0.065 0.000 -0.298) 0.305 26.374 ( -2.763 0.000 -1.544) 3.165 26.389 ( -3.299 0.000 1.318) 3.552 26.792 ( -0.686 0.000 -1.946) 2.064 26.801 ( -0.705 -0.000 2.032) 2.151 28.444 ( -1.066 -0.000 2.480) 2.700 28.454 ( -0.156 0.000 -2.243) 2.248 28.936 ( -7.386 0.000 -1.951) 7.640 29.048 ( -2.592 0.000 -1.890) 3.208 29.100 ( 5.886 -0.000 2.580) 6.426 29.261 ( 2.795 -0.000 0.474) 2.835 29.603 ( 0.572 -0.000 0.199) 0.605 29.977 ( 0.802 0.000 -1.749) 1.924 29.991 ( 1.192 -0.000 -0.799) 1.435 30.121 ( -0.624 -0.000 3.566) 3.620 30.267 ( 2.959 -0.000 -1.758) 3.442 30.490 ( 2.621 -0.000 -0.616) 2.692 31.083 ( 1.798 -0.000 -1.058) 2.086 31.524 ( -2.872 0.000 0.354) 2.894 31.726 ( -1.980 0.000 -0.296) 2.002 32.322 ( -2.478 0.000 0.890) 2.633 32.615 ( -0.279 -0.000 1.467) 1.493 33.224 ( -1.411 0.000 -0.281) 1.439 34.394 ( 0.026 0.000 -0.310) 0.311 34.821 ( -0.108 -0.000 0.480) 0.492 49.718 ( -3.114 0.000 0.277) 3.127 49.860 ( 5.475 -0.000 -2.768) 6.135 ======================= Grid point 16 (16/105) ======================= q-point: (-0.03 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -29.445 0.000 -40.972) 50.455 2.544 ( -60.545 0.000 -58.222) 83.997 3.362 ( -49.584 0.000 16.200) 52.163 4.154 (-100.990 0.000 -86.605) 133.039 6.521 ( -1.461 0.000 -1.389) 2.016 6.863 ( -4.784 0.000 0.158) 4.786 7.527 ( 3.407 -0.000 -5.718) 6.656 7.735 ( 29.098 -0.000 -10.496) 30.933 8.143 ( 7.371 -0.000 -5.218) 9.031 9.693 ( -19.003 -0.000 56.271) 59.393 10.092 ( 6.341 -0.000 4.440) 7.741 10.444 ( -1.571 0.000 -5.866) 6.072 10.912 ( -4.793 0.000 -15.448) 16.175 11.545 ( 14.022 -0.000 -14.933) 20.484 12.043 ( -10.963 0.000 -19.039) 21.970 12.216 ( -13.462 0.000 2.424) 13.679 12.425 ( 7.187 -0.000 -8.344) 11.013 12.970 ( -2.108 -0.000 30.398) 30.471 13.262 ( 11.821 -0.000 1.174) 11.879 13.355 ( -7.807 0.000 0.701) 7.838 13.609 ( 6.821 -0.000 -1.668) 7.022 14.571 ( 2.772 -0.000 5.126) 5.827 14.814 ( 2.130 -0.000 29.548) 29.625 15.134 ( 0.471 -0.000 37.938) 37.941 15.909 ( -27.060 0.000 10.836) 29.149 16.030 ( 2.163 -0.000 13.466) 13.639 16.567 ( 4.815 -0.000 -4.087) 6.315 16.624 ( 2.245 -0.000 0.080) 2.246 16.696 ( 2.877 -0.000 5.817) 6.490 16.958 ( -7.973 0.000 10.195) 12.942 17.218 ( 11.111 -0.000 -5.887) 12.574 17.399 ( -0.089 0.000 -8.126) 8.127 17.568 ( -5.805 0.000 -18.303) 19.201 17.664 ( -2.177 0.000 -0.312) 2.199 17.975 ( 7.294 -0.000 -4.141) 8.387 18.060 ( 3.379 -0.000 -3.219) 4.667 18.418 ( -9.307 0.000 1.957) 9.511 18.490 ( -11.145 0.000 -10.469) 15.291 18.952 ( -7.987 0.000 -7.079) 10.673 19.349 ( 0.968 0.000 -17.779) 17.805 19.407 ( -0.879 -0.000 14.713) 14.739 19.787 ( 2.608 0.000 -21.007) 21.168 19.917 ( 0.333 0.000 -0.961) 1.017 19.992 ( 5.260 0.000 -11.801) 12.920 20.658 ( 3.670 -0.000 17.852) 18.225 20.739 ( 20.367 -0.000 -4.946) 20.959 20.960 ( 1.220 -0.000 16.806) 16.850 21.375 ( 10.603 -0.000 -1.296) 10.682 21.644 ( -2.081 0.000 -1.556) 2.598 21.786 ( -1.112 0.000 -16.834) 16.871 21.893 ( -2.118 0.000 -8.577) 8.835 21.971 ( 11.000 -0.000 -3.848) 11.653 22.152 ( 0.961 -0.000 0.524) 1.094 22.389 ( 8.225 -0.000 4.172) 9.222 22.447 ( 3.444 -0.000 3.596) 4.979 22.504 ( -4.437 0.000 1.680) 4.745 22.724 ( 0.196 0.000 -2.872) 2.879 22.946 ( 2.655 0.000 -8.821) 9.212 22.946 ( -4.081 0.000 -1.507) 4.350 23.220 ( -5.350 0.000 8.952) 10.428 23.560 ( -6.006 0.000 -3.294) 6.850 23.594 ( -8.713 0.000 -8.721) 12.328 23.656 ( -5.897 0.000 -3.513) 6.864 24.082 ( 2.640 -0.000 4.769) 5.451 24.165 ( 15.095 -0.000 4.061) 15.632 24.771 ( 13.225 -0.000 9.345) 16.193 24.955 ( 8.162 -0.000 20.819) 22.362 25.024 ( 1.107 0.000 -3.708) 3.870 25.385 ( 6.198 -0.000 6.822) 9.217 25.845 ( 5.824 -0.000 5.778) 8.204 25.989 ( -8.562 0.000 3.219) 9.147 26.186 ( -6.141 0.000 9.034) 10.923 26.379 ( 3.968 0.000 -15.894) 16.382 26.707 ( -1.712 0.000 -8.495) 8.666 28.094 ( -4.833 0.000 -1.308) 5.007 28.325 ( -6.481 0.000 -4.391) 7.828 28.671 ( -0.974 -0.000 8.718) 8.772 28.690 ( -4.598 0.000 -0.924) 4.690 29.312 ( -2.275 0.000 -7.909) 8.230 29.620 ( 3.207 -0.000 2.000) 3.780 29.673 ( 2.250 -0.000 -2.112) 3.086 29.724 ( 0.919 -0.000 0.225) 0.946 29.994 ( 1.591 -0.000 -0.200) 1.604 30.142 ( 0.190 0.000 -0.576) 0.607 30.817 ( 10.334 -0.000 0.609) 10.352 30.939 ( 10.899 -0.000 0.237) 10.902 31.212 ( -8.215 0.000 1.432) 8.339 31.244 ( 10.173 -0.000 -11.331) 15.227 31.298 ( -5.883 0.000 -1.404) 6.049 32.104 ( -5.186 0.000 4.468) 6.845 32.802 ( -19.119 0.000 8.958) 21.114 32.817 ( 0.327 -0.000 4.060) 4.073 34.379 ( 0.272 -0.000 -0.084) 0.284 34.887 ( 0.117 -0.000 0.977) 0.983 49.605 ( -0.130 -0.000 1.471) 1.477 49.851 ( 1.335 0.000 -7.595) 7.712 ======================= Grid point 17 (17/105) ======================= q-point: (-0.03 0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 47.684 -0.000 29.502) 56.072 3.900 ( 68.068 -0.000 17.213) 70.211 4.216 ( 42.624 -0.000 -3.500) 42.767 6.265 ( 97.598 -0.000 45.258) 107.581 6.574 ( 4.171 -0.000 1.755) 4.526 7.004 ( 9.531 -0.000 0.997) 9.583 7.340 ( -2.097 -0.000 19.569) 19.681 7.439 ( -5.334 0.000 4.434) 6.936 7.972 ( -9.730 0.000 5.526) 11.190 9.906 ( -11.433 0.000 2.320) 11.666 10.113 ( 20.057 0.000 -44.102) 48.448 10.550 ( 8.628 -0.000 -1.224) 8.714 11.065 ( 10.104 -0.000 8.297) 13.073 11.196 ( -22.402 0.000 9.318) 24.263 12.121 ( -11.059 0.000 -7.741) 13.499 12.223 ( -10.706 0.000 6.505) 12.527 12.442 ( -37.045 0.000 -8.091) 37.918 12.510 ( 12.002 -0.000 0.808) 12.029 13.400 ( 27.757 -0.000 -16.290) 32.184 13.499 ( 6.472 -0.000 -1.024) 6.552 13.804 ( 15.812 -0.000 14.098) 21.184 14.667 ( 14.409 -0.000 2.879) 14.693 14.772 ( -1.622 0.000 -21.439) 21.500 15.164 ( 0.459 0.000 -15.598) 15.605 15.962 ( -4.849 0.000 -14.087) 14.898 16.260 ( 11.402 -0.000 -7.638) 13.724 16.470 ( -4.040 0.000 -6.627) 7.761 16.580 ( -8.241 0.000 -2.540) 8.623 16.814 ( 19.646 -0.000 -4.050) 20.059 17.069 ( -4.128 -0.000 8.771) 9.694 17.097 ( 5.038 0.000 -9.392) 10.657 17.409 ( 2.166 -0.000 4.218) 4.741 17.627 ( -5.169 0.000 7.024) 8.721 17.677 ( 1.969 -0.000 9.305) 9.511 17.806 ( -8.878 0.000 1.366) 8.983 17.953 ( -7.899 0.000 5.565) 9.663 18.656 ( 13.882 -0.000 -1.774) 13.994 18.710 ( 7.221 -0.000 -3.995) 8.253 19.110 ( 5.972 -0.000 1.440) 6.143 19.267 ( -9.202 -0.000 16.876) 19.222 19.428 ( 0.993 0.000 -15.798) 15.830 19.550 ( -20.291 0.000 2.681) 20.468 19.818 ( -3.875 -0.000 9.495) 10.255 19.910 ( -0.086 -0.000 8.520) 8.520 20.569 ( -6.002 0.000 -13.496) 14.771 20.606 ( 5.511 -0.000 28.353) 28.883 20.847 ( -10.567 0.000 -14.735) 18.132 21.114 ( -14.870 0.000 -5.511) 15.858 21.660 ( -0.728 0.000 -1.375) 1.556 21.723 ( -5.046 -0.000 18.947) 19.608 21.887 ( 0.873 -0.000 7.114) 7.168 21.912 ( -0.356 -0.000 5.011) 5.023 22.175 ( 2.192 -0.000 1.147) 2.474 22.212 ( -6.614 0.000 0.967) 6.684 22.427 ( 0.166 0.000 -1.254) 1.265 22.458 ( -7.704 0.000 0.006) 7.704 22.716 ( -0.475 0.000 -1.436) 1.512 22.959 ( -2.664 0.000 -1.533) 3.074 22.976 ( 4.415 -0.000 -6.074) 7.509 23.342 ( 6.811 -0.000 -9.978) 12.081 23.621 ( -1.316 0.000 -2.338) 2.683 23.693 ( 6.039 -0.000 4.885) 7.768 23.731 ( -11.812 0.000 7.576) 14.032 24.002 ( 7.607 -0.000 0.156) 7.609 24.011 ( -4.291 0.000 -3.928) 5.817 24.441 ( -18.568 0.000 -5.983) 19.508 24.682 ( -17.097 0.000 -7.418) 18.637 24.979 ( -3.688 0.000 2.808) 4.635 25.259 ( -7.180 0.000 -2.215) 7.514 25.739 ( -4.671 0.000 -4.981) 6.829 26.142 ( 5.918 -0.000 -4.164) 7.236 26.308 ( 5.842 -0.000 -6.225) 8.537 26.375 ( 5.044 -0.000 8.071) 9.518 26.748 ( 2.150 -0.000 6.666) 7.004 28.177 ( 3.766 -0.000 4.368) 5.767 28.498 ( 8.663 -0.000 1.252) 8.753 28.714 ( 4.365 0.000 -9.121) 10.112 28.804 ( 6.622 -0.000 -0.194) 6.624 29.346 ( 0.268 -0.000 4.152) 4.160 29.537 ( -5.035 0.000 -2.065) 5.442 29.625 ( -2.012 -0.000 3.579) 4.105 29.702 ( -1.031 0.000 1.427) 1.761 29.953 ( -2.339 0.000 -0.020) 2.339 30.137 ( -0.271 -0.000 2.628) 2.642 30.617 ( -9.950 0.000 -1.600) 10.078 30.745 ( -8.603 0.000 -0.409) 8.613 31.105 ( -5.186 0.000 5.255) 7.383 31.345 ( 6.258 -0.000 -1.534) 6.443 31.459 ( 8.894 -0.000 1.460) 9.013 32.220 ( 5.886 -0.000 -2.829) 6.530 32.802 ( -1.340 0.000 -3.397) 3.652 33.049 ( 8.179 -0.000 -3.647) 8.955 34.374 ( -0.185 0.000 0.117) 0.218 34.883 ( -0.297 0.000 -0.993) 1.037 49.615 ( 1.006 -0.000 -0.788) 1.278 49.818 ( -1.913 -0.000 5.647) 5.962 ======================= Grid point 18 (18/105) ======================= q-point: ( 0.37 -0.37 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.608 ( -37.244 -10.201 -0.000) 38.616 5.267 ( -23.844 87.147 0.000) 90.350 5.339 ( -61.808 7.480 -0.000) 62.259 6.476 ( 5.202 -6.795 0.000) 8.558 6.845 ( -4.000 -12.159 -0.000) 12.800 7.185 ( -8.819 0.271 -0.000) 8.823 7.399 ( 3.831 3.274 0.000) 5.040 7.717 ( 10.151 0.435 0.000) 10.160 8.385 ( -87.483 17.065 -0.000) 89.132 9.117 ( 16.087 -21.335 0.000) 26.721 9.747 ( 3.994 -17.054 -0.000) 17.516 10.318 ( 26.365 -3.937 0.000) 26.657 10.910 ( 18.523 3.632 0.000) 18.876 11.454 ( -16.752 -9.721 -0.000) 19.368 11.923 ( -8.690 5.664 -0.000) 10.372 12.411 ( 7.030 14.270 0.000) 15.908 12.871 ( 3.222 -2.378 0.000) 4.005 13.173 ( -13.503 18.801 -0.000) 23.148 13.266 ( -7.800 4.327 -0.000) 8.920 13.448 ( 10.661 -34.023 -0.000) 35.654 14.071 ( -23.219 2.760 -0.000) 23.382 14.152 ( -15.134 -7.064 -0.000) 16.702 14.563 ( 0.385 0.736 0.000) 0.830 14.915 ( 1.920 -4.132 0.000) 4.557 15.526 ( -7.216 -30.207 -0.000) 31.057 16.309 ( 5.351 15.089 0.000) 16.010 16.540 ( 31.869 -11.828 0.000) 33.993 16.650 ( 1.148 -8.117 -0.000) 8.197 16.953 ( -4.952 5.744 -0.000) 7.584 17.334 ( 0.975 9.028 0.000) 9.081 17.452 ( -3.903 16.143 0.000) 16.608 17.753 ( 8.736 4.698 0.000) 9.919 17.849 ( 8.494 7.985 0.000) 11.658 17.906 ( -8.408 11.166 -0.000) 13.977 18.101 ( -3.880 27.701 0.000) 27.971 18.192 ( -13.266 -2.862 -0.000) 13.571 18.666 ( -12.280 0.178 -0.000) 12.282 18.679 ( 5.739 -20.061 -0.000) 20.866 18.911 ( 0.459 -15.584 -0.000) 15.590 18.968 ( -9.163 -3.795 -0.000) 9.918 19.462 ( 10.856 8.871 0.000) 14.020 19.541 ( -20.699 -5.311 -0.000) 21.370 19.793 ( 18.982 22.199 0.000) 29.208 19.927 ( 4.395 -4.078 0.000) 5.996 20.290 ( 0.962 15.607 0.000) 15.636 20.474 ( 5.384 -9.430 0.000) 10.859 20.506 ( 13.375 -37.853 -0.000) 40.147 20.681 ( 7.086 -15.181 0.000) 16.753 21.332 ( 5.912 12.530 0.000) 13.855 21.432 ( -2.603 -9.707 -0.000) 10.050 21.638 ( 3.279 7.130 0.000) 7.848 21.836 ( -1.685 -1.297 -0.000) 2.127 21.917 ( -7.713 1.823 -0.000) 7.925 22.309 ( 4.196 -0.501 0.000) 4.226 22.472 ( -1.239 -0.254 -0.000) 1.265 22.578 ( 3.677 1.191 0.000) 3.865 22.856 ( -0.495 3.860 0.000) 3.891 22.955 ( 5.107 3.150 0.000) 6.001 23.051 ( 3.215 -1.670 0.000) 3.623 23.300 ( 11.529 -5.663 0.000) 12.844 23.598 ( 2.506 -1.442 0.000) 2.891 23.686 ( -8.058 6.230 -0.000) 10.185 23.888 ( -0.078 -0.147 -0.000) 0.167 23.995 ( -5.048 10.418 -0.000) 11.577 24.085 ( 13.824 0.124 0.000) 13.824 24.300 ( 12.984 1.460 0.000) 13.066 24.497 ( -2.835 -2.765 -0.000) 3.960 24.707 ( 9.050 -6.424 0.000) 11.098 25.117 ( 6.597 7.942 0.000) 10.324 25.400 ( 4.989 -14.591 -0.000) 15.420 26.282 ( -6.794 -1.243 -0.000) 6.906 26.452 ( -5.355 0.025 -0.000) 5.355 26.519 ( -5.789 0.514 -0.000) 5.812 26.721 ( -2.206 0.770 -0.000) 2.337 28.288 ( -4.771 4.012 -0.000) 6.234 28.598 ( 1.737 -0.020 0.000) 1.737 28.828 ( -7.629 -1.787 -0.000) 7.835 28.914 ( -8.706 -2.266 -0.000) 8.996 29.466 ( 4.039 0.553 0.000) 4.077 29.492 ( -0.460 -2.855 -0.000) 2.892 29.627 ( 3.001 -1.051 0.000) 3.180 29.680 ( 8.319 13.312 0.000) 15.698 29.919 ( -2.797 -3.856 -0.000) 4.764 30.188 ( 4.226 7.116 0.000) 8.276 30.447 ( 4.881 -0.358 0.000) 4.894 30.528 ( 4.395 -4.340 0.000) 6.177 31.082 ( -1.220 4.529 0.000) 4.690 31.358 ( 0.238 -3.875 -0.000) 3.882 31.736 ( -7.560 6.217 -0.000) 9.788 32.068 ( -2.043 -10.396 -0.000) 10.594 32.940 ( -7.719 -10.416 -0.000) 12.964 32.973 ( 0.746 7.118 0.000) 7.157 34.534 ( -1.217 6.924 0.000) 7.031 34.738 ( 0.909 -6.731 -0.000) 6.792 49.682 ( -2.802 0.694 -0.000) 2.887 50.058 ( 12.225 10.439 0.000) 16.075 ======================= Grid point 19 (19/105) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 0.000 -0.096 1.129) 1.133 4.279 ( 0.000 16.815 80.558) 82.295 4.759 ( 0.000 71.459 25.331) 75.815 5.657 ( 0.000 10.412 69.831) 70.603 6.728 ( 0.000 2.622 3.761) 4.585 6.866 ( -0.000 -15.198 2.788) 15.452 7.197 ( 0.000 17.750 17.414) 24.865 7.672 ( -0.000 -14.226 -56.187) 57.960 8.177 ( -0.000 -0.578 -13.660) 13.672 8.440 ( -0.000 -1.478 -0.505) 1.562 9.174 ( -0.000 -31.506 -1.594) 31.546 11.232 ( -0.000 -1.379 -22.561) 22.604 11.299 ( 0.000 33.661 7.852) 34.565 11.784 ( 0.000 5.203 -26.492) 26.998 11.898 ( -0.000 -22.082 17.424) 28.128 12.219 ( 0.000 8.682 -7.344) 11.371 12.445 ( -0.000 -13.832 -2.449) 14.047 12.630 ( -0.000 -2.855 -0.936) 3.005 12.714 ( 0.000 0.999 2.576) 2.763 13.192 ( 0.000 -1.100 8.103) 8.177 13.292 ( -0.000 -31.756 -3.743) 31.976 13.647 ( -0.000 -9.278 -12.902) 15.891 14.148 ( -0.000 0.317 -33.023) 33.024 14.529 ( 0.000 5.459 -2.516) 6.011 15.572 ( -0.000 -8.262 -8.093) 11.566 15.761 ( 0.000 18.511 -11.329) 21.703 16.780 ( -0.000 -8.984 -0.981) 9.038 16.814 ( 0.000 1.509 -6.624) 6.794 16.978 ( 0.000 4.100 3.467) 5.369 17.005 ( -0.000 -5.575 6.984) 8.936 17.250 ( 0.000 11.214 2.441) 11.477 17.354 ( 0.000 3.750 -1.195) 3.936 17.918 ( 0.000 6.424 -5.055) 8.175 18.010 ( 0.000 15.781 -5.041) 16.567 18.127 ( -0.000 -13.631 6.817) 15.241 18.352 ( 0.000 1.680 23.660) 23.719 18.612 ( 0.000 5.551 -2.229) 5.982 18.848 ( 0.000 6.821 7.222) 9.934 18.960 ( -0.000 -20.357 3.165) 20.601 19.157 ( -0.000 -3.327 14.769) 15.139 19.641 ( 0.000 44.172 -5.075) 44.462 19.680 ( 0.000 2.493 -8.443) 8.804 20.000 ( -0.000 -2.377 -7.414) 7.786 20.408 ( -0.000 -4.826 9.930) 11.040 20.609 ( -0.000 -4.906 -8.152) 9.514 20.654 ( -0.000 -35.127 -5.641) 35.577 21.044 ( 0.000 0.551 5.957) 5.982 21.080 ( 0.000 3.973 10.356) 11.092 21.443 ( -0.000 -4.924 2.863) 5.695 21.667 ( -0.000 -8.038 13.812) 15.981 21.968 ( -0.000 -1.752 7.307) 7.514 22.058 ( 0.000 1.504 3.071) 3.420 22.167 ( -0.000 -6.330 -1.745) 6.566 22.266 ( 0.000 3.326 -4.173) 5.336 22.495 ( 0.000 4.837 -9.131) 10.333 22.560 ( 0.000 5.315 -0.706) 5.362 22.861 ( -0.000 -5.229 7.084) 8.805 23.062 ( 0.000 4.403 -1.424) 4.628 23.261 ( 0.000 13.619 8.303) 15.950 23.377 ( -0.000 -2.541 4.472) 5.143 23.511 ( -0.000 -2.621 1.038) 2.819 23.537 ( 0.000 -2.106 26.091) 26.176 23.815 ( 0.000 3.502 1.195) 3.700 24.064 ( -0.000 -4.842 1.147) 4.976 24.188 ( -0.000 -10.814 -23.186) 25.584 24.485 ( 0.000 7.965 -9.373) 12.301 24.667 ( -0.000 2.436 -22.993) 23.121 25.110 ( -0.000 -0.458 -11.565) 11.574 25.212 ( 0.000 6.923 2.897) 7.504 25.538 ( -0.000 -13.314 -4.246) 13.975 25.783 ( -0.000 -2.044 -0.989) 2.271 26.014 ( 0.000 2.323 -4.547) 5.106 26.709 ( -0.000 -3.976 13.967) 14.522 26.881 ( 0.000 2.792 3.186) 4.236 28.107 ( 0.000 3.545 -0.012) 3.545 28.248 ( -0.000 -3.666 -0.607) 3.716 28.491 ( 0.000 1.885 -1.036) 2.151 28.865 ( 0.000 2.436 2.356) 3.389 29.609 ( -0.000 -0.259 -1.437) 1.460 29.618 ( 0.000 0.143 7.516) 7.517 29.726 ( 0.000 0.320 -0.788) 0.850 29.836 ( 0.000 10.556 -2.799) 10.921 29.960 ( -0.000 -4.099 1.945) 4.537 30.196 ( 0.000 2.738 -2.679) 3.831 30.747 ( -0.000 -6.567 -1.763) 6.800 30.842 ( -0.000 -3.339 -2.222) 4.011 31.284 ( 0.000 8.766 4.910) 10.048 31.334 ( 0.000 1.325 0.975) 1.645 31.542 ( 0.000 0.033 3.992) 3.992 31.693 ( -0.000 -10.268 -5.370) 11.587 32.477 ( -0.000 -3.198 7.889) 8.513 32.818 ( 0.000 3.870 -6.595) 7.647 34.504 ( 0.000 4.866 0.952) 4.958 34.731 ( -0.000 -5.062 -1.943) 5.422 49.696 ( 0.000 0.328 1.047) 1.097 50.486 ( 0.000 11.733 -8.739) 14.630 ======================= Grid point 20 (20/105) ======================= q-point: (-0.63 0.30 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.397 ( 40.317 2.605 0.952) 40.412 5.904 ( 6.836 19.240 2.992) 20.636 6.193 ( -2.065 -13.880 -4.756) 14.817 6.348 ( 33.727 8.423 -17.177) 38.775 7.003 ( 2.396 -5.284 -4.156) 7.137 7.178 ( -9.107 -3.270 5.973) 11.371 7.467 ( 14.700 -32.377 -1.366) 35.584 7.920 ( -12.001 1.921 -3.132) 12.550 8.534 ( 15.316 10.208 21.384) 28.215 9.156 ( -5.289 -6.824 8.225) 11.925 9.931 ( 10.812 -5.912 -15.335) 19.673 10.255 ( -17.520 -0.869 1.335) 17.592 10.735 ( -7.646 4.628 -17.081) 19.278 11.262 ( 26.456 -8.116 -24.113) 36.705 11.746 ( -0.208 -14.113 18.398) 23.188 12.273 ( 6.182 29.250 16.148) 33.978 12.764 ( 12.982 18.368 -3.924) 22.832 12.876 ( 10.945 12.077 -11.000) 19.664 13.363 ( 11.887 13.280 2.779) 18.038 13.622 ( 20.447 -5.088 1.273) 21.109 13.891 ( 10.113 -22.948 12.368) 27.961 14.250 ( 7.446 -22.648 1.769) 23.906 14.787 ( 11.868 -5.634 6.027) 14.454 15.050 ( -6.646 1.444 0.238) 6.805 15.198 ( 17.387 10.015 -11.896) 23.327 16.102 ( 3.242 5.779 5.066) 8.341 16.437 ( -2.178 -2.354 9.714) 10.230 16.566 ( -4.883 7.508 -1.510) 9.083 17.052 ( -8.751 -9.353 6.051) 14.166 17.243 ( -4.120 -9.060 -8.357) 12.996 17.323 ( 8.642 3.047 10.014) 13.574 17.607 ( -6.798 1.882 -4.039) 8.128 17.698 ( 2.030 15.021 6.491) 16.488 17.998 ( 4.042 -9.671 0.183) 10.483 18.135 ( -13.187 3.426 -5.984) 14.881 18.161 ( -11.186 2.823 8.814) 14.518 18.467 ( -7.233 5.439 2.254) 9.326 18.512 ( 0.759 -16.505 5.419) 17.388 18.791 ( -1.676 -5.880 3.106) 6.858 19.045 ( -6.241 -2.788 6.927) 9.732 19.358 ( -5.277 11.204 -8.347) 14.934 19.749 ( -2.151 22.708 -3.848) 23.132 19.860 ( -10.343 18.483 3.784) 21.516 20.037 ( 1.982 -0.955 -17.566) 17.703 20.245 ( 0.669 5.409 -6.935) 8.821 20.585 ( -7.704 -5.122 -3.027) 9.734 20.701 ( 3.626 -16.258 -0.983) 16.687 21.043 ( -12.310 -3.911 1.447) 12.998 21.254 ( 2.786 -0.603 -6.580) 7.171 21.570 ( -0.996 -5.855 -6.407) 8.736 21.854 ( -2.715 -2.663 -0.280) 3.813 21.983 ( 2.258 -4.079 5.569) 7.263 22.169 ( -6.170 1.584 -13.708) 15.116 22.265 ( 2.074 -2.215 3.821) 4.879 22.337 ( -0.669 -2.311 -1.874) 3.050 22.516 ( -3.323 0.008 -0.711) 3.399 22.771 ( -7.942 -1.021 4.273) 9.076 22.892 ( 4.078 0.585 4.011) 5.749 22.998 ( -5.188 3.948 5.382) 8.453 23.041 ( -4.657 -4.828 1.529) 6.880 23.581 ( -2.438 0.440 -2.685) 3.653 23.678 ( 3.775 -2.913 2.821) 5.540 23.865 ( 1.208 -1.492 -0.855) 2.102 23.950 ( -6.118 3.910 4.405) 8.492 24.141 ( -0.259 6.238 0.778) 6.292 24.364 ( -4.837 1.857 5.133) 7.293 24.532 ( -2.010 0.310 -2.113) 2.933 24.728 ( -7.382 -4.797 -7.867) 11.807 24.952 ( -1.925 15.345 5.222) 16.323 25.366 ( -1.545 -10.602 0.694) 10.736 26.207 ( 8.695 0.481 -0.928) 8.757 26.354 ( 3.619 0.163 1.490) 3.917 26.639 ( 5.906 -0.016 -6.398) 8.707 26.848 ( -0.610 -0.087 0.820) 1.026 28.385 ( 3.464 -0.103 -1.087) 3.632 28.473 ( 1.481 -0.020 2.767) 3.138 28.770 ( 9.040 -2.547 1.577) 9.524 28.993 ( 2.454 -0.429 -0.669) 2.580 29.378 ( -4.285 0.988 3.031) 5.340 29.409 ( -3.840 6.186 0.340) 7.288 29.627 ( -1.815 1.910 -1.966) 3.288 29.834 ( -4.416 -6.659 -1.988) 8.234 30.048 ( 1.604 2.225 -4.031) 4.876 30.247 ( -5.466 3.944 3.077) 7.410 30.410 ( -2.459 -5.006 -0.861) 5.643 30.462 ( -5.992 -1.523 2.575) 6.697 31.233 ( 0.906 -2.800 -0.642) 3.012 31.250 ( -2.007 -0.441 0.832) 2.216 31.828 ( 4.168 7.897 1.913) 9.132 31.907 ( 6.345 -8.546 -1.652) 10.771 32.801 ( 6.678 9.287 -2.434) 11.695 33.074 ( 2.522 -5.834 1.167) 6.462 34.570 ( -0.160 6.331 1.237) 6.452 34.670 ( 0.612 -5.592 -0.582) 5.655 49.696 ( 1.680 0.451 -0.165) 1.747 50.097 ( -11.565 -3.255 3.898) 12.631 ======================= Grid point 21 (21/105) ======================= q-point: (-0.24 -0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( -42.621 0.776 4.235) 42.838 4.323 ( -22.116 -54.103 -33.797) 67.516 6.346 ( -13.118 1.776 -37.709) 39.965 6.597 ( -13.950 -3.383 1.538) 14.437 6.829 ( 1.602 8.997 -1.103) 9.205 7.007 ( -9.187 7.871 1.121) 12.150 7.390 ( 0.125 -3.573 9.849) 10.478 7.989 ( -11.134 8.682 13.212) 19.337 8.163 ( -1.222 -1.195 2.904) 3.370 9.258 ( -28.137 18.275 -14.263) 36.457 10.114 ( -29.493 8.567 -31.120) 43.723 10.505 ( -5.111 3.426 18.437) 19.437 10.982 ( -18.095 -6.032 20.240) 27.811 11.288 ( 28.407 0.719 11.339) 30.594 11.473 ( 12.184 -8.418 -5.555) 15.817 12.101 ( 29.008 4.425 -4.994) 29.766 12.326 ( -3.121 -15.763 7.271) 17.637 12.673 ( -8.361 -2.632 15.680) 17.964 12.903 ( -5.974 -6.335 -5.983) 10.565 13.452 ( -6.920 5.405 -1.324) 8.880 13.828 ( -16.704 17.786 -2.956) 24.578 14.153 ( -17.808 5.441 -0.128) 18.621 14.528 ( -36.573 14.198 -8.373) 40.116 14.931 ( -7.637 6.420 -4.263) 10.850 15.105 ( -0.989 -0.256 15.538) 15.571 15.772 ( -15.116 -9.712 13.595) 22.530 16.356 ( 6.076 -9.272 -0.227) 11.088 16.810 ( 8.172 5.848 -2.744) 10.417 16.847 ( 0.303 -19.926 0.796) 19.944 17.057 ( 0.977 -4.632 -11.101) 12.068 17.266 ( -1.764 3.142 -6.046) 7.038 17.581 ( 2.578 3.061 9.926) 10.702 17.808 ( 4.331 -4.280 -11.251) 12.793 17.938 ( -3.938 1.463 -5.510) 6.929 18.132 ( 7.176 4.920 10.446) 13.596 18.434 ( 6.616 -29.213 -2.903) 30.093 18.610 ( 2.517 5.839 -3.785) 7.399 18.640 ( 2.358 3.612 2.839) 5.164 18.773 ( -0.721 -2.458 -10.734) 11.035 19.188 ( 12.784 10.077 8.623) 18.421 19.589 ( 3.024 8.369 0.377) 8.907 19.797 ( 13.780 -2.235 -0.975) 13.994 19.934 ( -7.171 4.233 8.736) 12.069 20.155 ( -4.566 -2.321 3.916) 6.447 20.252 ( 6.325 -5.251 10.416) 13.269 20.490 ( 18.586 -7.598 -12.437) 23.618 20.973 ( 7.386 -11.728 -0.229) 13.862 21.060 ( 6.777 1.597 4.157) 8.109 21.732 ( 1.557 18.575 0.837) 18.659 21.894 ( 1.615 8.220 1.858) 8.581 21.925 ( 2.573 0.223 0.655) 2.664 22.013 ( 1.737 9.128 -1.303) 9.383 22.228 ( -3.183 4.567 -2.366) 6.049 22.286 ( -3.659 1.556 -1.399) 4.215 22.371 ( -0.927 -1.753 2.782) 3.417 22.574 ( -3.093 -3.600 1.953) 5.132 22.733 ( -0.960 -1.024 3.293) 3.580 22.974 ( 7.432 -2.859 -5.191) 9.505 23.084 ( 17.506 3.170 -13.212) 22.160 23.193 ( 8.137 0.495 2.809) 8.623 23.427 ( -1.776 -3.620 -0.852) 4.122 23.655 ( 0.847 1.402 1.188) 2.023 23.854 ( 3.520 -2.447 3.165) 5.328 24.012 ( 2.721 -0.094 11.215) 11.541 24.062 ( -1.989 -9.904 -6.972) 12.274 24.272 ( 1.281 -3.855 -4.162) 5.816 24.542 ( 2.475 1.070 -0.974) 2.867 24.854 ( 2.016 1.198 5.112) 5.624 25.003 ( 4.373 -0.871 2.905) 5.322 25.529 ( 0.682 7.095 0.402) 7.139 26.050 ( -9.978 2.588 1.001) 10.356 26.194 ( -6.966 -3.444 -0.067) 7.771 26.748 ( -0.030 0.307 5.892) 5.900 26.796 ( 3.004 0.226 -6.210) 6.902 28.332 ( -6.219 -0.035 -0.266) 6.225 28.380 ( -2.941 1.353 1.454) 3.548 28.612 ( -5.588 1.974 -4.003) 7.152 28.917 ( -3.449 -2.456 -2.724) 5.035 29.356 ( 3.890 -6.251 3.938) 8.349 29.454 ( 4.957 -1.488 0.899) 5.253 29.671 ( 2.186 -0.626 0.480) 2.324 29.969 ( 1.057 4.545 -8.341) 9.558 30.025 ( -3.388 -3.243 5.291) 7.070 30.182 ( 3.066 -1.005 -4.458) 5.503 30.554 ( 9.006 -1.134 1.203) 9.156 30.672 ( 7.012 6.678 -0.286) 9.687 31.261 ( -1.796 1.509 -0.166) 2.352 31.314 ( 6.224 -0.201 -1.145) 6.332 31.554 ( -7.796 -4.283 -1.630) 9.043 31.990 ( -7.922 7.586 3.781) 11.602 32.630 ( -3.722 -5.608 6.077) 9.068 33.010 ( -7.855 3.000 -2.961) 8.914 34.441 ( 0.178 -4.152 -1.406) 4.388 34.778 ( -0.111 3.768 1.834) 4.192 49.649 ( -0.735 -2.248 -0.334) 2.389 50.191 ( 8.817 -1.612 -8.688) 12.482 ======================= Grid point 22 (22/105) ======================= q-point: (-0.24 0.07 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 57.103 -9.322 -53.260) 78.640 2.740 ( 14.412 -107.073 -18.361) 109.588 3.187 ( 45.379 11.453 -0.715) 46.807 4.265 ( 97.674 -14.412 -83.842) 129.528 6.555 ( 1.226 -2.465 -3.624) 4.551 6.870 ( 4.554 -0.845 0.377) 4.647 7.266 ( -5.038 11.831 -2.440) 13.088 7.948 ( -15.824 -4.585 1.312) 16.527 8.232 ( -13.997 -6.960 -7.433) 17.309 9.542 ( 15.708 14.017 51.755) 55.873 9.919 ( -2.916 19.889 10.661) 22.754 10.592 ( -2.603 -14.410 -4.022) 15.185 10.850 ( 3.312 0.443 -16.998) 17.324 11.548 ( -9.371 4.403 -20.767) 23.204 12.055 ( 13.080 -8.199 -8.593) 17.668 12.437 ( 7.017 -11.844 -1.019) 13.805 12.491 ( 0.896 -12.179 -7.334) 14.245 12.949 ( -3.658 20.397 13.776) 24.884 12.994 ( -3.322 5.179 16.862) 17.950 13.213 ( 5.012 15.747 -2.551) 16.721 13.685 ( -3.695 -5.201 -0.565) 6.405 14.543 ( -13.243 32.240 24.651) 42.690 14.662 ( 3.923 7.101 15.081) 17.125 14.855 ( 2.104 1.153 24.941) 25.056 15.744 ( 5.401 5.675 11.450) 13.874 16.188 ( 11.333 -5.684 17.337) 21.479 16.646 ( -6.368 -0.856 -1.101) 6.519 16.755 ( -0.582 -19.524 0.768) 19.548 16.798 ( -3.456 -11.474 1.221) 12.045 17.044 ( 5.009 -4.811 5.202) 8.677 17.243 ( -0.535 7.092 1.995) 7.386 17.354 ( 5.349 8.183 -2.283) 10.039 17.574 ( -3.006 -10.827 -7.413) 13.462 17.839 ( -4.700 -1.278 -13.931) 14.758 17.980 ( 2.617 -12.507 -2.754) 13.072 18.237 ( -0.821 -18.067 -7.497) 19.578 18.348 ( 5.427 10.277 -2.837) 11.964 18.499 ( 7.943 -3.306 -6.810) 10.973 18.958 ( 8.730 -0.560 -9.889) 13.203 19.271 ( 1.729 14.561 -5.739) 15.746 19.365 ( -1.049 -5.836 4.312) 7.332 19.711 ( -2.627 7.186 -8.850) 11.699 19.859 ( -9.232 -6.452 -5.596) 12.577 20.224 ( -0.060 -12.366 -5.439) 13.509 20.680 ( -14.490 -0.734 4.337) 15.143 20.773 ( -8.676 -3.713 0.448) 9.448 20.920 ( -1.581 3.920 15.181) 15.758 21.399 ( -6.685 0.770 -0.685) 6.764 21.505 ( 0.219 30.291 -5.919) 30.865 21.624 ( 1.775 0.773 -5.720) 6.039 21.797 ( 0.607 9.114 -8.220) 12.288 21.945 ( -4.196 1.899 -4.078) 6.152 22.074 ( -9.287 3.379 -7.398) 12.345 22.438 ( -0.374 0.562 1.997) 2.108 22.465 ( -9.554 -3.543 1.809) 10.349 22.564 ( 6.093 -4.718 4.143) 8.749 22.725 ( 1.026 -1.419 1.597) 2.370 22.901 ( -2.078 -0.778 -5.232) 5.683 23.013 ( -0.250 -2.934 -1.668) 3.384 23.204 ( 7.929 0.854 0.168) 7.977 23.484 ( 13.825 1.024 -11.236) 17.845 23.628 ( 1.521 1.308 2.252) 3.016 23.759 ( 4.421 -6.191 -3.368) 8.320 24.100 ( -10.751 5.455 3.833) 12.651 24.236 ( -7.156 -13.871 6.165) 16.781 24.740 ( -11.276 3.178 11.561) 16.459 24.945 ( -7.437 0.599 14.714) 16.497 25.036 ( -3.418 -1.391 -1.170) 3.871 25.360 ( -6.068 2.515 6.337) 9.127 25.772 ( -5.577 7.961 5.110) 10.982 25.967 ( 8.711 2.028 3.859) 9.741 26.200 ( 5.807 -1.354 8.598) 10.463 26.363 ( -3.204 1.600 -15.605) 16.011 26.718 ( 1.488 -1.120 -8.642) 8.840 28.106 ( 4.380 -1.360 -1.493) 4.824 28.338 ( 7.121 -1.408 -2.074) 7.549 28.569 ( 2.263 4.490 4.736) 6.907 28.782 ( 2.366 -3.466 -0.712) 4.257 29.400 ( 2.410 -8.022 -5.932) 10.264 29.620 ( -2.968 0.161 1.747) 3.448 29.692 ( -2.605 -3.240 -1.039) 4.285 29.726 ( -1.084 -0.382 0.294) 1.186 29.978 ( -1.164 2.268 -1.253) 2.840 30.180 ( -0.879 -3.720 1.147) 3.991 30.813 ( -10.746 1.598 1.021) 10.912 30.861 ( -7.358 6.610 -0.464) 9.902 31.144 ( 1.388 1.534 -3.961) 4.468 31.326 ( 0.896 -3.923 -2.778) 4.889 31.337 ( 2.055 -3.597 -2.326) 4.751 32.028 ( 5.219 7.542 4.065) 10.032 32.660 ( 18.285 10.538 0.993) 21.127 32.862 ( 0.396 -3.808 3.526) 5.205 34.412 ( 0.004 -3.455 -0.184) 3.460 34.848 ( -0.265 3.687 1.129) 3.865 49.650 ( -0.759 -1.333 -0.625) 1.656 50.218 ( -13.944 -28.681 9.764) 33.352 ======================= Grid point 23 (23/105) ======================= q-point: (-0.24 0.41 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( 39.257 -50.386 8.495) 64.436 5.350 ( 30.588 3.566 -3.579) 31.002 5.709 ( -17.621 -2.630 3.413) 18.140 6.798 ( 14.523 8.683 0.273) 16.923 7.151 ( 8.768 -3.157 -2.538) 9.659 7.223 ( 1.657 -4.644 1.131) 5.058 7.433 ( 12.403 2.098 1.832) 12.712 7.730 ( 16.883 6.795 -0.729) 18.213 9.241 ( -13.396 22.970 0.792) 26.603 9.516 ( -36.219 9.347 -3.843) 37.602 10.005 ( 2.223 16.294 8.642) 18.577 10.149 ( -3.218 21.186 6.697) 22.451 10.823 ( 23.826 -13.173 6.580) 28.009 11.306 ( 5.200 -13.961 -18.695) 23.905 11.839 ( -7.568 -21.761 10.026) 25.127 11.913 ( 24.805 -8.328 -11.168) 28.450 12.491 ( -7.546 -25.072 -5.676) 26.791 12.815 ( 4.738 -14.164 5.778) 16.014 13.654 ( 5.278 -5.260 2.453) 7.845 13.956 ( -12.618 39.234 1.922) 41.258 14.199 ( -11.310 -4.687 28.393) 30.920 14.642 ( 5.382 12.745 -2.617) 14.080 15.033 ( 26.679 5.283 -7.975) 28.343 15.374 ( 1.344 35.286 -1.896) 35.363 15.711 ( -34.580 1.061 7.758) 35.456 15.955 ( -9.811 6.090 -7.862) 13.970 16.338 ( 6.756 13.689 -1.126) 15.307 16.808 ( 9.261 -13.428 -10.597) 19.452 16.919 ( 5.661 -8.935 -0.909) 10.616 17.036 ( 4.462 -10.127 -5.956) 12.567 17.101 ( 1.318 11.207 4.075) 11.997 17.451 ( -0.455 -6.241 -2.103) 6.602 17.623 ( -1.513 -17.133 3.555) 17.563 17.830 ( 15.352 -16.736 -12.923) 26.130 17.920 ( 3.676 -8.841 -7.590) 12.218 18.314 ( 7.652 -15.195 7.597) 18.632 18.543 ( -8.216 -2.018 -5.058) 9.857 18.811 ( -16.972 -10.913 -6.623) 21.237 18.975 ( -2.145 11.232 4.553) 12.308 19.044 ( 0.843 4.955 -4.461) 6.720 19.358 ( 4.529 13.524 -4.951) 15.097 19.554 ( -9.832 2.824 11.240) 15.198 19.694 ( 10.415 4.784 -11.885) 16.511 19.710 ( -8.826 -4.452 3.262) 10.410 20.042 ( -15.148 -8.010 -11.725) 20.763 20.546 ( -6.729 5.166 7.107) 11.067 20.616 ( 3.577 5.154 8.503) 10.567 20.949 ( -7.994 -9.445 -0.806) 12.399 21.307 ( -7.373 2.414 13.671) 15.719 21.583 ( 0.487 -1.102 16.505) 16.549 21.860 ( 7.733 25.673 1.360) 26.847 21.916 ( 0.461 1.612 1.427) 2.202 22.026 ( 7.241 0.471 -0.462) 7.271 22.308 ( -0.508 3.238 -1.115) 3.462 22.403 ( 2.147 -0.851 -6.953) 7.326 22.518 ( 1.122 0.220 0.239) 1.169 22.797 ( 1.293 -4.461 -1.355) 4.838 22.873 ( 2.922 0.351 0.225) 2.952 22.930 ( -5.070 -0.793 1.124) 5.253 23.156 ( -10.272 5.023 -2.647) 11.737 23.503 ( 6.074 0.682 -4.896) 7.831 23.639 ( -5.920 -2.339 -4.695) 7.909 23.761 ( 3.877 -6.319 1.442) 7.553 23.948 ( 0.444 -3.542 -0.794) 3.657 24.064 ( 0.703 -5.941 -0.905) 6.050 24.103 ( -5.508 -4.888 -0.091) 7.364 24.550 ( 1.784 0.152 1.714) 2.478 24.659 ( -4.723 2.107 2.900) 5.930 24.920 ( -8.986 0.005 2.167) 9.244 25.543 ( -1.271 8.895 -0.719) 9.015 26.357 ( 4.915 -0.481 -2.690) 5.623 26.419 ( -1.409 -0.184 -2.457) 2.839 26.691 ( 6.563 -0.162 2.598) 7.060 26.766 ( -2.655 -0.645 3.666) 4.572 28.358 ( 4.404 -1.986 2.402) 5.395 28.551 ( -2.368 1.200 -1.362) 2.983 28.960 ( 6.063 3.392 -3.553) 7.803 29.098 ( 2.486 1.958 -1.096) 3.350 29.277 ( -3.292 -8.124 -3.777) 9.545 29.372 ( -3.088 -2.478 -1.699) 4.308 29.560 ( -0.833 1.072 1.099) 1.747 29.710 ( 3.091 4.072 5.067) 7.197 29.936 ( -0.620 -4.929 0.687) 5.015 30.109 ( -2.399 -0.949 5.772) 6.322 30.330 ( -2.023 -0.841 -2.831) 3.580 30.518 ( -0.980 2.622 -1.924) 3.397 31.070 ( 2.797 -2.278 0.572) 3.652 31.467 ( 0.421 6.273 -0.223) 6.291 31.752 ( 3.413 -3.829 0.069) 5.130 32.240 ( -1.480 8.780 -0.640) 8.927 32.779 ( -3.263 -8.171 -0.615) 8.820 33.184 ( 2.415 4.853 -0.020) 5.421 34.432 ( 0.775 -5.208 0.075) 5.266 34.817 ( -1.111 4.082 -0.694) 4.287 49.758 ( 3.336 -2.055 -0.786) 3.996 49.793 ( 0.576 -1.819 1.031) 2.169 ======================= Grid point 24 (24/105) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -89.238 10.220 -0.000) 89.822 2.474 ( -39.814 87.060 -0.000) 95.732 3.033 ( -85.747 39.368 -0.000) 94.353 3.544 ( -72.642 -20.535 -0.000) 75.489 6.506 ( -1.028 -0.259 -0.000) 1.060 6.880 ( -4.514 1.149 -0.000) 4.658 7.245 ( 5.500 -2.356 0.000) 5.983 7.986 ( 27.786 20.797 0.000) 34.707 8.047 ( 5.780 -1.254 0.000) 5.915 10.067 ( 12.054 -23.325 0.000) 26.256 10.233 ( -3.119 -13.150 -0.000) 13.514 10.502 ( -4.982 13.997 0.000) 14.858 10.789 ( -15.540 4.239 -0.000) 16.108 11.075 ( -0.386 -6.554 -0.000) 6.565 11.968 ( -10.617 12.712 -0.000) 16.563 12.373 ( 6.502 4.168 0.000) 7.723 12.468 ( -14.011 21.109 -0.000) 25.336 13.021 ( 7.888 -23.691 -0.000) 24.970 13.186 ( -8.430 -11.067 -0.000) 13.912 13.192 ( -3.283 -15.555 -0.000) 15.897 13.690 ( 12.882 9.719 0.000) 16.137 14.756 ( 6.886 6.017 0.000) 9.145 14.922 ( 8.734 -51.530 -0.000) 52.265 15.187 ( 4.976 -2.552 0.000) 5.593 15.889 ( -4.554 -1.849 -0.000) 4.915 16.385 ( 6.025 5.916 0.000) 8.444 16.601 ( 4.718 4.989 0.000) 6.867 16.695 ( -3.236 10.125 0.000) 10.629 16.965 ( 1.227 -5.851 -0.000) 5.978 16.999 ( 0.697 23.221 0.000) 23.232 17.275 ( -6.698 -12.090 -0.000) 13.821 17.481 ( -6.077 18.576 0.000) 19.544 17.524 ( 4.073 -2.531 0.000) 4.795 17.704 ( -3.969 22.267 0.000) 22.618 17.851 ( -1.940 -4.209 -0.000) 4.634 18.177 ( -0.254 2.155 0.000) 2.170 18.204 ( -21.083 -1.920 -0.000) 21.170 18.415 ( -4.945 -2.596 -0.000) 5.585 18.857 ( -6.481 -2.580 -0.000) 6.976 19.224 ( -3.930 -17.936 -0.000) 18.361 19.260 ( 1.428 22.453 0.000) 22.499 19.598 ( 5.810 -8.851 0.000) 10.588 19.890 ( -1.253 16.565 0.000) 16.613 20.176 ( 6.949 12.987 0.000) 14.729 20.668 ( 29.296 -2.584 0.000) 29.410 20.890 ( 6.798 -7.626 0.000) 10.216 21.139 ( 7.174 -4.627 0.000) 8.536 21.337 ( -0.565 -16.476 -0.000) 16.485 21.410 ( -2.444 6.618 0.000) 7.055 21.633 ( -3.456 -9.404 0.000) 10.019 21.633 ( -4.209 -8.856 0.000) 9.805 21.898 ( 4.793 -17.270 -0.000) 17.922 21.953 ( 16.080 2.487 0.000) 16.271 22.457 ( 0.701 -1.409 0.000) 1.574 22.483 ( 9.359 3.590 0.000) 10.024 22.700 ( 3.314 5.621 0.000) 6.526 22.767 ( -4.007 4.460 -0.000) 5.996 22.809 ( -13.098 2.611 -0.000) 13.356 22.941 ( -7.056 1.519 -0.000) 7.218 23.199 ( -4.973 -9.002 -0.000) 10.284 23.374 ( -12.245 2.793 -0.000) 12.560 23.656 ( -0.783 -1.228 -0.000) 1.456 23.716 ( -2.163 8.215 0.000) 8.495 24.143 ( 9.020 -6.409 0.000) 11.065 24.318 ( 8.143 16.503 0.000) 18.403 24.861 ( 13.895 -1.025 0.000) 13.933 24.958 ( 1.143 -1.484 0.000) 1.873 25.300 ( 23.836 -2.680 0.000) 23.987 25.312 ( 1.198 -2.784 0.000) 3.031 25.829 ( 4.678 -8.436 0.000) 9.646 26.085 ( -5.647 -2.760 -0.000) 6.285 26.092 ( -7.393 -0.472 -0.000) 7.408 26.370 ( -2.027 2.039 -0.000) 2.875 26.554 ( -3.844 0.548 -0.000) 3.883 28.089 ( -1.961 1.136 -0.000) 2.267 28.314 ( -8.939 4.255 -0.000) 9.900 28.628 ( -4.703 -4.277 -0.000) 6.357 28.773 ( -0.787 -1.344 -0.000) 1.558 29.324 ( -3.647 10.628 0.000) 11.237 29.640 ( 2.974 -0.255 0.000) 2.985 29.683 ( 3.212 4.705 0.000) 5.697 29.729 ( 1.465 0.181 0.000) 1.476 29.967 ( 0.604 -3.290 -0.000) 3.345 30.197 ( 3.524 4.950 0.000) 6.076 30.820 ( 4.237 -4.753 0.000) 6.367 30.824 ( 10.692 -1.016 0.000) 10.740 31.088 ( 0.542 0.027 0.000) 0.543 31.307 ( -6.999 4.960 -0.000) 8.578 31.308 ( -1.559 3.181 -0.000) 3.543 32.076 ( -4.428 -7.953 -0.000) 9.103 32.694 ( -20.718 -19.337 -0.000) 28.340 32.899 ( 0.420 3.710 0.000) 3.734 34.411 ( -0.073 3.340 0.000) 3.341 34.861 ( 0.537 -3.341 -0.000) 3.383 49.639 ( 0.413 0.482 0.000) 0.635 50.412 ( 33.693 34.874 0.000) 48.492 ======================= Grid point 25 (25/105) ======================= q-point: ( 0.16 0.18 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( 28.731 60.141 22.439) 70.327 3.754 ( 41.767 9.145 -1.861) 42.797 5.078 ( 44.344 4.453 61.514) 75.962 6.571 ( 9.602 -4.393 3.586) 11.151 6.836 ( 3.528 0.937 2.104) 4.213 7.056 ( -4.671 -2.763 0.944) 5.509 7.519 ( -4.729 -1.564 4.531) 6.734 8.073 ( 0.288 3.749 11.453) 12.054 8.263 ( 58.421 1.301 46.193) 74.489 8.914 ( 29.344 -9.871 -47.268) 56.504 9.762 ( -0.348 -21.173 1.139) 21.206 10.567 ( -7.679 0.007 2.027) 7.942 11.121 ( -11.945 -8.244 10.438) 17.878 11.453 ( -11.680 6.951 0.916) 13.622 11.865 ( -30.695 -4.651 -19.941) 36.898 12.266 ( -5.446 19.271 -24.240) 31.442 12.440 ( 3.632 14.770 -3.932) 15.711 12.689 ( 5.519 6.546 10.804) 13.785 12.949 ( 22.170 -3.958 -13.098) 26.052 13.437 ( 8.008 -6.645 1.367) 10.495 13.865 ( 8.361 -25.312 -5.356) 27.190 14.324 ( 23.638 -0.003 -7.814) 24.896 14.348 ( 16.388 -20.295 -1.365) 26.121 14.895 ( 14.125 -1.834 0.316) 14.248 15.473 ( 0.989 -10.240 -18.693) 21.337 16.055 ( 5.119 5.749 -12.585) 14.753 16.428 ( -7.697 10.563 -6.604) 14.644 16.781 ( 5.624 0.511 0.527) 5.672 16.844 ( -0.632 20.991 2.175) 21.113 16.990 ( 3.692 6.132 -6.087) 9.396 17.182 ( -0.991 -6.537 1.791) 6.850 17.492 ( -3.131 -5.340 9.589) 11.414 17.758 ( -4.759 3.669 10.157) 11.801 17.801 ( -6.673 4.707 -0.986) 8.225 18.180 ( -0.555 -1.746 4.792) 5.130 18.318 ( -4.379 26.461 8.765) 28.217 18.487 ( 4.697 -11.616 4.332) 13.258 18.663 ( 1.302 -1.768 -0.936) 2.387 18.915 ( -1.910 7.917 -19.975) 21.572 19.260 ( -9.196 -6.423 0.963) 11.259 19.460 ( -1.748 -11.014 10.745) 15.487 19.668 ( -15.655 1.480 10.120) 18.699 20.012 ( 3.378 -2.272 13.805) 14.393 20.142 ( -1.459 2.051 -2.110) 3.285 20.436 ( -5.277 12.878 -7.694) 15.903 20.469 ( -16.075 -1.869 -13.820) 21.281 20.917 ( -2.263 -3.244 5.929) 7.127 21.154 ( -6.398 9.221 -3.970) 11.905 21.680 ( 2.936 -26.527 4.137) 27.007 21.754 ( -2.679 -6.577 13.713) 15.443 21.933 ( -3.523 -3.128 2.787) 5.474 21.975 ( -3.312 -4.439 5.598) 7.875 22.140 ( 4.964 -0.494 0.376) 5.003 22.297 ( -0.138 0.941 -0.995) 1.376 22.398 ( -0.125 0.549 -0.886) 1.050 22.642 ( -4.351 2.237 8.591) 9.886 22.703 ( -2.824 -1.149 0.730) 3.135 22.863 ( -4.726 0.405 -1.432) 4.955 22.932 ( -5.394 3.652 -0.578) 6.540 23.248 ( -0.479 4.535 -3.663) 5.849 23.485 ( -3.335 -2.049 -5.621) 6.849 23.708 ( -7.328 -1.977 -3.150) 8.218 23.900 ( -2.618 0.100 0.622) 2.693 23.925 ( 4.606 8.759 5.044) 11.107 24.198 ( 5.667 3.790 0.221) 6.821 24.268 ( -10.854 0.037 -8.144) 13.570 24.549 ( -7.596 2.284 -3.899) 8.839 24.966 ( -6.307 -3.985 -2.088) 7.747 25.130 ( -0.562 1.250 -8.728) 8.835 25.563 ( -3.192 -7.796 -3.383) 9.078 26.063 ( 8.061 -1.936 -1.362) 8.401 26.229 ( 6.858 2.220 -3.000) 7.808 26.581 ( -0.860 -0.720 11.226) 11.282 26.833 ( 0.439 0.536 0.183) 0.717 28.279 ( 5.359 0.315 3.991) 6.689 28.477 ( 3.426 -3.286 -6.603) 8.132 28.545 ( 7.277 0.362 2.271) 7.631 28.875 ( 4.232 4.059 1.180) 5.981 29.423 ( -4.031 4.391 -2.404) 6.428 29.498 ( -4.705 2.833 -2.769) 6.151 29.677 ( -2.481 1.419 0.371) 2.882 29.787 ( 0.892 -3.258 8.089) 8.766 30.015 ( -0.480 1.716 4.224) 4.584 30.171 ( 1.153 1.651 -1.430) 2.470 30.576 ( -10.627 -0.842 -1.177) 10.725 30.686 ( -7.755 -4.128 -1.379) 8.893 31.205 ( -5.049 -1.171 4.581) 6.917 31.318 ( 1.864 0.218 -1.035) 2.143 31.523 ( 8.227 3.703 1.403) 9.131 32.070 ( 6.946 -7.582 -3.818) 10.969 32.751 ( 1.724 4.109 -5.316) 6.937 32.962 ( 9.644 -4.254 1.352) 10.627 34.421 ( 0.110 4.156 0.596) 4.200 34.815 ( -0.205 -4.030 -1.613) 4.346 49.646 ( 0.371 2.743 0.062) 2.768 50.045 ( -6.795 7.693 4.957) 11.398 ======================= Grid point 26 (26/105) ======================= q-point: ( 0.16 -0.49 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.871 ( -26.568 39.168 -10.133) 48.401 5.278 ( -33.213 0.985 2.536) 33.324 5.799 ( 24.089 2.855 -4.477) 24.668 6.810 ( -8.619 -7.401 -1.250) 11.429 7.112 ( -16.909 6.809 -0.284) 18.231 7.292 ( 2.397 0.442 -3.826) 4.536 7.493 ( -12.365 -1.677 -4.583) 13.293 7.753 ( -8.932 -3.450 -2.898) 10.004 9.140 ( 21.188 -13.456 12.843) 28.194 9.458 ( 9.061 -24.472 0.838) 26.109 9.992 ( 19.193 -6.824 6.623) 21.420 10.269 ( 6.630 -23.757 -3.125) 24.862 10.966 ( 8.860 6.262 1.428) 10.943 10.996 ( -12.451 0.151 5.723) 13.704 11.787 ( -27.357 11.004 -3.349) 29.677 12.190 ( -23.663 27.548 -21.617) 42.262 12.414 ( 4.607 42.998 1.924) 43.287 12.999 ( -6.684 4.796 -9.380) 12.476 13.586 ( 0.585 15.610 5.566) 16.583 13.982 ( 1.783 -43.008 0.486) 43.048 14.515 ( -23.286 -18.581 2.205) 29.872 14.622 ( 4.826 -8.920 2.233) 10.385 15.060 ( -12.182 -8.602 -9.454) 17.657 15.357 ( 5.110 -19.983 -4.258) 21.061 15.797 ( -8.719 5.265 3.091) 10.644 15.935 ( 48.149 -4.856 -7.392) 48.955 16.199 ( -10.636 -6.857 9.733) 15.965 16.478 ( -7.273 8.543 13.524) 17.573 16.937 ( 3.125 -6.187 1.010) 7.005 17.017 ( -15.871 24.454 -3.267) 29.335 17.216 ( -4.156 -6.603 -5.380) 9.477 17.318 ( -4.367 7.421 8.502) 12.101 17.570 ( 1.182 14.035 4.096) 14.668 17.762 ( -1.318 9.510 7.778) 12.356 17.824 ( 4.957 5.958 -11.138) 13.570 18.345 ( 15.429 0.212 13.060) 20.216 18.409 ( 2.023 -8.618 3.496) 9.518 18.664 ( 0.436 -17.523 12.500) 21.528 18.788 ( 8.082 30.028 -0.299) 31.098 19.096 ( -6.434 -6.681 6.203) 11.158 19.224 ( 3.533 -4.590 -2.072) 6.151 19.420 ( -3.559 -4.069 6.934) 8.792 19.705 ( 3.428 8.852 -0.474) 9.504 19.909 ( 14.480 4.058 -1.414) 15.104 20.133 ( -2.254 0.892 -19.808) 19.955 20.596 ( 13.654 -0.229 1.346) 13.722 20.783 ( -11.528 -2.510 -7.321) 13.885 20.925 ( 2.442 10.576 -0.874) 10.890 21.558 ( 12.981 -5.796 -6.304) 15.551 21.852 ( -2.371 -4.773 -0.610) 5.364 21.906 ( -1.476 -11.174 -4.938) 12.306 21.941 ( 1.619 -8.670 -2.777) 9.247 22.010 ( -6.399 -8.946 0.438) 11.007 22.231 ( 4.298 -0.630 2.987) 5.272 22.352 ( -4.297 -1.252 -3.361) 5.597 22.544 ( -1.831 -4.762 -1.189) 5.238 22.771 ( -0.273 6.153 0.648) 6.193 22.869 ( -5.232 -0.636 0.229) 5.276 22.920 ( 1.286 0.294 2.881) 3.169 23.071 ( 6.444 -4.438 3.931) 8.756 23.519 ( -1.634 0.335 -5.733) 5.971 23.591 ( 1.335 2.615 -0.353) 2.958 23.775 ( -2.680 7.096 -0.396) 7.595 23.865 ( 1.045 0.816 6.210) 6.350 24.018 ( 3.587 4.899 3.329) 6.925 24.084 ( 4.398 16.277 1.739) 16.950 24.584 ( -5.147 -1.842 -0.253) 5.472 24.688 ( 6.193 -8.609 -0.771) 10.634 24.957 ( 6.894 3.944 -0.325) 7.949 25.523 ( -0.408 -9.424 0.855) 9.471 26.338 ( -4.784 0.381 -1.093) 4.922 26.394 ( -0.413 -0.260 0.166) 0.516 26.746 ( -4.778 0.289 -2.606) 5.451 26.818 ( 2.345 0.317 -0.898) 2.531 28.412 ( -1.994 0.981 -2.426) 3.290 28.504 ( 0.757 -0.910 2.990) 3.216 28.910 ( -7.268 -0.957 0.831) 7.377 29.062 ( -3.008 -0.060 1.685) 3.448 29.208 ( 5.030 5.905 2.722) 8.220 29.315 ( 3.139 1.526 3.058) 4.640 29.592 ( 1.255 0.389 -1.515) 2.006 29.821 ( -1.786 -5.412 -5.429) 7.871 29.989 ( -0.046 4.646 -3.200) 5.642 30.210 ( 6.070 0.694 -2.779) 6.712 30.253 ( -1.862 1.529 3.349) 4.125 30.473 ( 1.575 -2.954 1.917) 3.858 31.084 ( -0.678 2.271 -0.791) 2.498 31.461 ( -1.351 -6.683 0.329) 6.826 31.755 ( -2.705 3.668 -0.188) 4.561 32.222 ( 0.023 -9.497 1.023) 9.552 32.761 ( 1.407 9.227 1.031) 9.390 33.185 ( -2.157 -4.063 -0.204) 4.604 34.434 ( -0.527 4.876 -0.186) 4.908 34.799 ( 0.674 -3.949 0.878) 4.101 49.743 ( -3.841 1.514 0.677) 4.184 49.821 ( 2.566 1.177 -1.665) 3.277 ======================= Grid point 27 (27/105) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -0.000 -0.068 0.178) 0.191 5.109 ( -0.000 -54.408 -17.297) 57.091 5.939 ( -0.000 -12.259 -75.035) 76.030 6.223 ( 0.000 15.236 72.832) 74.408 6.430 ( -0.000 -1.914 -10.593) 10.765 6.679 ( 0.000 11.656 13.363) 17.732 6.802 ( 0.000 16.332 5.683) 17.293 8.105 ( -0.000 -0.213 0.154) 0.263 8.110 ( 0.000 7.122 -32.936) 33.698 8.396 ( -0.000 -5.941 3.704) 7.001 9.433 ( 0.000 5.774 7.945) 9.822 9.874 ( 0.000 14.046 14.213) 19.982 11.437 ( -0.000 -32.214 -4.246) 32.492 11.996 ( -0.000 -13.354 -18.480) 22.800 12.069 ( 0.000 25.507 -0.115) 25.508 12.183 ( -0.000 -0.932 1.688) 1.928 12.299 ( -0.000 -3.768 10.674) 11.320 12.436 ( 0.000 7.260 13.430) 15.266 12.854 ( 0.000 19.937 -7.989) 21.478 13.285 ( 0.000 -1.908 20.561) 20.649 13.395 ( 0.000 8.760 -8.092) 11.926 13.440 ( -0.000 -0.405 -2.798) 2.827 13.630 ( 0.000 1.088 1.088) 1.538 14.598 ( 0.000 8.716 -7.138) 11.266 15.411 ( -0.000 -8.659 8.607) 12.209 15.605 ( -0.000 -24.849 3.336) 25.072 16.711 ( -0.000 -6.476 1.927) 6.756 16.781 ( 0.000 12.559 -1.069) 12.605 17.054 ( -0.000 -0.749 -2.565) 2.672 17.108 ( -0.000 -0.353 0.539) 0.645 17.257 ( -0.000 -7.013 -1.535) 7.179 17.379 ( 0.000 14.165 -6.929) 15.769 17.806 ( -0.000 -10.179 5.187) 11.424 18.033 ( -0.000 -11.197 -5.516) 12.482 18.242 ( 0.000 22.092 -5.073) 22.667 18.502 ( 0.000 -0.528 5.578) 5.603 18.831 ( -0.000 -5.442 -14.879) 15.843 18.893 ( -0.000 -3.491 0.103) 3.493 19.045 ( 0.000 12.591 -2.430) 12.823 19.063 ( 0.000 5.320 17.204) 18.008 19.585 ( -0.000 -50.492 1.656) 50.520 19.699 ( -0.000 -3.563 -7.765) 8.543 19.839 ( 0.000 0.649 4.914) 4.956 20.447 ( 0.000 0.290 8.784) 8.789 20.531 ( 0.000 -0.048 3.907) 3.907 20.625 ( 0.000 36.559 -6.035) 37.054 21.115 ( 0.000 0.750 -0.500) 0.901 21.260 ( 0.000 8.733 -6.166) 10.691 21.450 ( -0.000 -2.332 2.598) 3.491 21.797 ( 0.000 -0.836 4.754) 4.827 22.027 ( 0.000 1.882 1.533) 2.427 22.036 ( 0.000 1.600 1.129) 1.958 22.200 ( -0.000 -0.447 0.502) 0.673 22.234 ( -0.000 -0.758 -1.827) 1.978 22.412 ( -0.000 -0.290 -2.722) 2.737 22.548 ( -0.000 -2.580 -3.178) 4.094 22.912 ( -0.000 -4.394 7.100) 8.349 23.059 ( 0.000 1.877 -5.713) 6.013 23.355 ( 0.000 1.816 2.151) 2.815 23.475 ( -0.000 -14.978 -12.379) 19.432 23.608 ( 0.000 0.486 1.565) 1.639 23.764 ( 0.000 14.399 14.237) 20.249 23.877 ( -0.000 -1.041 -3.845) 3.984 24.054 ( 0.000 0.291 -0.004) 0.291 24.093 ( -0.000 -4.324 4.539) 6.269 24.233 ( -0.000 -0.062 -3.037) 3.037 24.285 ( 0.000 1.439 -1.534) 2.104 24.997 ( -0.000 -1.731 -0.892) 1.947 25.247 ( -0.000 -9.569 -1.003) 9.621 25.457 ( 0.000 11.390 3.489) 11.912 25.764 ( 0.000 0.383 0.801) 0.888 25.980 ( -0.000 -0.524 -0.917) 1.056 26.842 ( -0.000 -2.837 5.030) 5.775 26.923 ( 0.000 2.887 -4.458) 5.311 28.118 ( -0.000 -1.025 -1.476) 1.797 28.236 ( 0.000 2.671 1.102) 2.889 28.493 ( 0.000 0.594 -1.488) 1.602 28.897 ( -0.000 -1.376 -0.784) 1.584 29.591 ( -0.000 -0.107 0.159) 0.192 29.649 ( -0.000 -11.290 5.538) 12.575 29.719 ( 0.000 0.081 -0.188) 0.205 29.891 ( 0.000 6.188 -8.767) 10.731 29.945 ( -0.000 -1.979 3.268) 3.821 30.202 ( 0.000 3.452 -2.899) 4.507 30.708 ( 0.000 2.798 2.220) 3.572 30.803 ( 0.000 1.495 0.742) 1.669 31.340 ( -0.000 -2.405 0.519) 2.460 31.393 ( -0.000 -9.074 -5.346) 10.531 31.575 ( 0.000 9.638 5.780) 11.239 31.593 ( 0.000 1.571 -0.710) 1.724 32.567 ( -0.000 -1.206 3.713) 3.904 32.741 ( -0.000 0.363 -3.606) 3.625 34.529 ( -0.000 -4.196 -1.360) 4.411 34.695 ( 0.000 4.242 1.460) 4.486 49.701 ( -0.000 -1.880 0.595) 1.972 50.447 ( -0.000 -1.835 -4.405) 4.772 ======================= Grid point 28 (28/105) ======================= q-point: (-0.45 0.28 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( 38.085 7.903 4.400) 39.145 5.315 ( 23.874 -77.251 -5.364) 81.034 5.479 ( 52.165 -9.368 -14.352) 54.909 6.577 ( -5.527 1.337 -8.671) 10.369 6.727 ( 8.451 10.953 8.055) 16.009 7.174 ( 8.336 -0.452 1.074) 8.417 7.360 ( -6.362 -0.445 2.915) 7.012 7.805 ( -11.358 -1.308 -6.513) 13.158 8.776 ( 57.378 -1.208 -26.189) 63.084 9.266 ( 7.492 12.769 -18.211) 23.470 9.573 ( -1.485 15.254 16.069) 22.206 10.396 ( -28.535 3.938 -5.649) 29.354 10.891 ( 0.417 0.146 9.339) 9.350 11.045 ( -5.650 7.165 19.721) 21.729 11.814 ( 7.726 -10.004 10.734) 16.583 12.526 ( -7.313 -14.816 -9.729) 19.174 12.901 ( 1.568 -3.181 -1.614) 3.896 13.077 ( -0.323 2.547 3.406) 4.265 13.347 ( 17.450 -2.071 -1.169) 17.611 13.516 ( 4.007 12.870 -3.042) 13.818 13.905 ( 24.954 -3.333 13.245) 28.447 14.254 ( 16.532 21.103 -4.129) 27.123 14.725 ( -5.578 -8.032 -15.898) 18.665 14.864 ( 5.120 2.258 4.210) 7.003 15.500 ( 6.972 24.864 3.092) 26.008 16.285 ( -3.122 -9.005 3.028) 10.000 16.570 ( -26.653 12.495 -2.473) 29.540 16.708 ( -2.382 6.035 -4.294) 7.780 16.818 ( 3.793 -4.874 10.393) 12.089 17.207 ( -3.370 -9.883 7.058) 12.603 17.405 ( -2.248 -15.428 1.561) 15.669 17.648 ( 0.139 -7.142 17.683) 19.071 17.800 ( 5.473 -7.936 1.716) 9.792 17.943 ( -3.480 -14.158 -1.260) 14.634 18.112 ( 6.456 -18.591 -1.550) 19.741 18.154 ( 1.757 10.303 -0.929) 10.493 18.467 ( 9.108 5.752 9.283) 14.220 18.704 ( -2.551 11.973 6.602) 13.908 18.901 ( -0.486 9.145 -10.021) 13.575 19.056 ( -1.956 7.208 5.431) 9.235 19.435 ( 4.655 3.977 1.133) 6.226 19.602 ( -0.036 -6.452 -13.347) 14.825 19.822 ( -11.442 -34.741 -1.824) 36.622 20.007 ( -11.804 -1.634 -4.811) 12.851 20.381 ( -2.134 14.714 4.685) 15.589 20.461 ( -11.382 15.590 1.102) 19.334 20.556 ( -3.682 0.855 -5.632) 6.783 20.798 ( -3.143 19.489 -16.057) 25.446 21.390 ( 0.874 -4.536 -0.697) 4.672 21.435 ( -2.825 6.372 -3.986) 8.029 21.793 ( -3.476 -4.596 -13.738) 14.897 21.822 ( 1.537 3.224 0.391) 3.593 21.944 ( 4.557 -2.850 -3.013) 6.162 22.303 ( -2.863 -0.165 0.892) 3.003 22.399 ( -0.214 0.219 6.856) 6.863 22.544 ( -3.601 -0.898 2.443) 4.443 22.821 ( -0.498 -2.328 2.694) 3.596 22.951 ( -3.748 -3.149 1.217) 5.044 23.003 ( 0.263 0.071 3.033) 3.046 23.259 ( -11.408 5.847 8.765) 15.529 23.488 ( -2.152 -1.615 -1.819) 3.248 23.680 ( 6.755 -4.938 3.879) 9.223 23.865 ( -2.124 0.358 0.899) 2.334 24.005 ( -7.886 -3.101 0.954) 8.527 24.193 ( 1.352 -7.860 -3.659) 8.774 24.347 ( -4.648 3.906 -5.218) 8.006 24.475 ( -4.119 -4.472 1.217) 6.201 24.685 ( -8.684 8.631 1.216) 12.304 25.160 ( -5.999 -7.617 -3.050) 10.164 25.360 ( -3.693 14.884 3.764) 15.790 26.242 ( 6.948 0.725 2.741) 7.505 26.404 ( 2.822 -0.352 3.759) 4.713 26.535 ( 9.046 0.009 -3.289) 9.625 26.798 ( 0.502 -0.657 -4.539) 4.614 28.317 ( 4.419 -2.924 -2.515) 5.866 28.563 ( -1.077 1.236 3.229) 3.621 28.765 ( 9.969 -0.318 2.886) 10.383 28.971 ( 5.677 1.452 -2.409) 6.335 29.430 ( -4.284 -0.702 2.406) 4.963 29.514 ( -1.616 2.237 0.323) 2.779 29.614 ( -3.461 -1.846 -0.695) 3.983 29.680 ( -5.272 -6.023 -0.444) 8.017 29.962 ( 2.042 -0.094 -3.806) 4.320 30.232 ( -3.237 -5.628 -3.493) 7.373 30.400 ( -4.620 1.714 3.829) 6.240 30.525 ( -5.338 3.193 0.819) 6.274 31.103 ( 0.447 -4.170 -1.899) 4.604 31.343 ( 0.059 4.084 1.328) 4.295 31.743 ( 7.120 -6.285 -0.664) 9.520 32.048 ( 2.512 10.308 1.782) 10.758 32.929 ( 5.213 3.062 0.985) 6.125 32.982 ( 2.171 -0.783 -0.925) 2.486 34.533 ( 1.125 -6.853 0.009) 6.945 34.729 ( -0.793 6.670 0.775) 6.761 49.686 ( 2.499 -0.612 -0.369) 2.599 50.039 ( -11.027 -9.157 1.512) 14.413 ======================= Grid point 29 (29/105) ======================= q-point: ( 0.55 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.428 ( -40.516 -5.553 -1.601) 40.926 5.643 ( -51.933 9.820 14.439) 54.790 6.191 ( -4.441 -14.854 -5.384) 16.412 6.387 ( 5.004 -4.977 -7.823) 10.536 6.850 ( -5.012 26.711 10.433) 29.111 7.277 ( 5.255 14.563 -1.550) 15.559 7.425 ( -11.167 13.797 -1.398) 17.805 7.827 ( 10.850 0.910 5.353) 12.133 8.694 ( -6.639 -6.846 0.466) 9.547 9.239 ( -45.729 7.472 31.042) 55.773 9.495 ( 4.759 7.047 -10.237) 13.308 10.351 ( 31.282 -1.308 5.456) 31.781 10.783 ( -14.496 -9.880 -26.830) 32.057 11.045 ( 5.099 5.402 2.164) 7.737 12.010 ( -9.383 10.028 -5.610) 14.835 12.446 ( 6.667 -31.677 -4.540) 32.688 12.597 ( -7.320 -9.688 7.632) 14.341 12.836 ( -5.028 -11.772 -2.369) 13.018 13.326 ( -15.935 -12.753 6.785) 21.508 13.603 ( -21.402 8.762 1.715) 23.190 14.165 ( 0.990 17.992 -11.239) 21.237 14.248 ( -6.391 15.399 1.102) 16.709 14.790 ( 4.181 1.443 9.533) 10.509 14.902 ( -8.942 7.411 4.674) 12.520 15.065 ( -8.996 -19.648 3.114) 21.833 16.241 ( 3.883 -6.565 -5.763) 9.559 16.557 ( 9.704 6.513 -2.722) 12.000 16.698 ( -1.861 3.366 -9.918) 10.638 17.003 ( 2.829 13.843 5.446) 15.142 17.212 ( 4.016 -8.405 -4.690) 10.429 17.594 ( 3.314 3.063 -4.916) 6.673 17.731 ( 2.752 1.620 -15.654) 15.976 17.873 ( -3.544 -9.561 -9.071) 13.647 18.020 ( -12.366 8.488 -4.516) 15.664 18.074 ( 8.427 -3.747 -1.946) 9.426 18.327 ( 12.350 3.013 -2.645) 12.985 18.411 ( -4.059 1.683 -0.665) 4.444 18.643 ( -5.943 8.502 -2.976) 10.792 18.805 ( 2.559 -2.305 3.419) 4.853 19.083 ( -0.654 10.435 1.188) 10.523 19.309 ( -2.742 -17.259 -3.093) 17.747 19.543 ( -2.525 -31.828 11.168) 33.825 19.682 ( -0.837 -7.205 12.760) 14.678 19.902 ( 20.296 -11.066 3.223) 23.341 20.173 ( 3.293 -2.171 -0.252) 3.953 20.502 ( -5.507 5.948 19.081) 20.732 20.562 ( 10.978 -0.202 -0.901) 11.017 20.953 ( 7.157 23.462 9.168) 26.187 21.197 ( 0.071 -10.769 -2.121) 10.976 21.511 ( 0.224 5.422 -0.387) 5.441 21.828 ( 1.439 4.292 1.208) 4.685 21.859 ( 0.392 2.861 8.681) 9.149 22.051 ( -5.061 8.480 1.559) 9.998 22.310 ( 6.334 0.791 0.193) 6.386 22.397 ( -2.730 0.003 -5.336) 5.994 22.560 ( 4.395 1.021 -3.412) 5.657 22.856 ( 2.100 1.456 -4.099) 4.831 22.962 ( -0.465 -1.667 -3.390) 3.806 23.024 ( 4.533 1.289 0.621) 4.754 23.167 ( 9.888 -3.232 -5.406) 11.724 23.516 ( 2.438 1.191 0.499) 2.759 23.772 ( -6.529 4.370 -5.256) 9.452 23.866 ( -2.812 0.471 0.154) 2.855 24.031 ( 12.685 -0.225 -2.984) 13.034 24.203 ( -0.068 -9.096 -4.231) 10.032 24.370 ( -1.826 6.728 6.257) 9.367 24.486 ( 10.051 -4.977 5.095) 12.319 24.553 ( 8.660 -1.697 2.861) 9.277 25.065 ( 4.927 -15.025 -4.358) 16.402 25.351 ( 1.954 11.047 1.897) 11.378 26.218 ( -8.225 -1.830 -1.824) 8.621 26.412 ( -2.614 0.461 -4.064) 4.854 26.532 ( -8.866 -0.235 3.382) 9.492 26.806 ( -0.260 0.259 4.356) 4.372 28.369 ( -4.003 2.346 0.534) 4.670 28.539 ( 1.207 -1.119 -3.357) 3.739 28.803 ( -8.938 3.376 -1.566) 9.682 28.953 ( -4.503 0.076 3.020) 5.422 29.416 ( 1.659 -3.643 -0.863) 4.095 29.448 ( 3.340 -2.759 -2.221) 4.868 29.611 ( 3.237 -0.211 -0.031) 3.244 29.785 ( 2.009 0.592 0.743) 2.222 29.965 ( 3.138 2.172 4.422) 5.841 30.276 ( 8.233 -1.840 0.100) 8.436 30.422 ( 1.740 1.540 -1.862) 2.977 30.499 ( 3.696 3.620 -0.832) 5.240 31.201 ( -3.235 6.027 1.392) 6.980 31.286 ( 3.669 -1.942 -1.589) 4.445 31.863 ( -4.243 -5.562 -1.148) 7.089 31.882 ( -6.653 4.866 0.676) 8.270 32.758 ( -7.985 -10.356 1.563) 13.170 33.092 ( -1.280 5.982 -0.526) 6.140 34.595 ( 0.974 -6.588 -1.006) 6.735 34.661 ( -1.429 5.630 0.289) 5.815 49.693 ( -1.930 0.091 0.081) 1.934 50.175 ( 14.468 5.311 -3.141) 15.729 ======================= Grid point 30 (30/105) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 43.811 -0.000 0.000) 43.811 1.875 ( 94.200 -0.000 0.000) 94.200 2.823 ( 137.755 -0.000 0.000) 137.755 4.184 ( 18.404 -0.000 0.000) 18.404 6.507 ( 1.255 -0.000 0.000) 1.255 6.871 ( 4.828 -0.000 0.000) 4.828 7.265 ( -5.170 0.000 -0.000) 5.170 7.464 ( -2.797 0.000 -0.000) 2.797 8.059 ( -6.344 0.000 -0.000) 6.344 10.184 ( -14.730 0.000 -0.000) 14.730 10.368 ( 7.995 -0.000 0.000) 7.995 10.520 ( 10.980 -0.000 0.000) 10.980 10.717 ( 11.033 -0.000 0.000) 11.033 11.140 ( -1.195 0.000 -0.000) 1.195 11.846 ( 11.517 -0.000 0.000) 11.517 12.243 ( 13.328 -0.000 0.000) 13.328 12.332 ( -8.213 0.000 -0.000) 8.213 13.236 ( -13.786 0.000 -0.000) 13.786 13.292 ( 8.307 -0.000 0.000) 8.307 13.391 ( 5.422 -0.000 0.000) 5.422 13.581 ( -10.773 0.000 -0.000) 10.773 14.662 ( -10.619 0.000 -0.000) 10.619 15.180 ( -6.290 0.000 -0.000) 6.290 15.687 ( -12.757 0.000 -0.000) 12.757 15.919 ( 22.807 -0.000 0.000) 22.807 16.178 ( -1.806 0.000 -0.000) 1.806 16.454 ( 0.493 -0.000 0.000) 0.493 16.666 ( -2.931 0.000 -0.000) 2.931 16.831 ( 0.437 -0.000 0.000) 0.437 17.093 ( -14.412 0.000 -0.000) 14.412 17.213 ( 5.139 -0.000 0.000) 5.139 17.245 ( 2.432 -0.000 0.000) 2.432 17.335 ( 8.151 -0.000 0.000) 8.151 17.701 ( -6.428 0.000 -0.000) 6.428 17.891 ( -1.924 0.000 -0.000) 1.924 18.138 ( -2.948 0.000 -0.000) 2.948 18.263 ( 29.629 -0.000 0.000) 29.629 18.443 ( 9.610 -0.000 0.000) 9.610 18.879 ( 6.862 -0.000 0.000) 6.862 19.033 ( 1.117 -0.000 0.000) 1.117 19.538 ( 2.386 -0.000 0.000) 2.386 19.579 ( 4.932 -0.000 0.000) 4.932 19.887 ( -4.232 0.000 -0.000) 4.232 19.892 ( -6.790 0.000 -0.000) 6.790 20.694 ( -32.687 0.000 -0.000) 32.687 20.963 ( -7.138 0.000 -0.000) 7.138 21.185 ( -10.833 0.000 -0.000) 10.833 21.337 ( 1.743 -0.000 0.000) 1.743 21.456 ( 1.605 -0.000 0.000) 1.605 21.695 ( 9.173 -0.000 0.000) 9.173 21.746 ( -0.266 0.000 -0.000) 0.266 21.930 ( -16.644 0.000 -0.000) 16.644 22.143 ( 0.442 -0.000 0.000) 0.442 22.446 ( -13.765 0.000 -0.000) 13.765 22.464 ( -2.137 0.000 -0.000) 2.137 22.606 ( -4.751 0.000 -0.000) 4.751 22.712 ( 2.472 -0.000 0.000) 2.472 22.797 ( 18.203 -0.000 0.000) 18.203 22.924 ( 6.155 -0.000 0.000) 6.155 23.352 ( 10.461 -0.000 0.000) 10.461 23.431 ( 8.267 -0.000 0.000) 8.267 23.491 ( 0.652 -0.000 0.000) 0.652 23.667 ( 0.645 -0.000 0.000) 0.645 24.142 ( -3.129 0.000 -0.000) 3.129 24.213 ( -12.158 0.000 -0.000) 12.158 24.869 ( -14.551 0.000 -0.000) 14.551 24.972 ( -0.615 0.000 -0.000) 0.615 25.326 ( -24.304 0.000 -0.000) 24.304 25.348 ( -2.214 0.000 -0.000) 2.214 25.909 ( -5.017 0.000 -0.000) 5.017 26.097 ( 7.346 -0.000 0.000) 7.346 26.111 ( 5.042 -0.000 0.000) 5.042 26.350 ( 2.605 -0.000 0.000) 2.605 26.549 ( 3.865 -0.000 0.000) 3.865 28.081 ( 1.521 -0.000 0.000) 1.521 28.274 ( 9.802 -0.000 0.000) 9.802 28.681 ( 5.161 -0.000 0.000) 5.161 28.786 ( 1.011 -0.000 0.000) 1.011 29.197 ( 3.658 -0.000 0.000) 3.658 29.642 ( -3.164 0.000 -0.000) 3.164 29.654 ( -2.841 0.000 -0.000) 2.841 29.727 ( -1.239 0.000 -0.000) 1.239 29.996 ( -0.981 0.000 -0.000) 0.981 30.133 ( -1.725 0.000 -0.000) 1.725 30.822 ( -9.649 0.000 -0.000) 9.649 30.871 ( -5.220 0.000 -0.000) 5.220 31.106 ( -2.770 0.000 -0.000) 2.770 31.237 ( 10.530 -0.000 0.000) 10.530 31.275 ( 3.459 -0.000 0.000) 3.459 32.155 ( 4.219 -0.000 0.000) 4.219 32.860 ( -0.580 0.000 -0.000) 0.580 33.032 ( 2.891 -0.000 0.000) 2.891 34.378 ( -0.227 0.000 -0.000) 0.227 34.897 ( -0.098 0.000 -0.000) 0.098 49.634 ( -0.506 0.000 -0.000) 0.506 49.758 ( -0.226 0.000 -0.000) 0.226 ======================= Grid point 31 (31/105) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.444 ( 33.379 -0.000 15.468) 36.789 5.286 ( 33.307 -0.000 -4.795) 33.650 5.781 ( -26.123 0.000 4.648) 26.534 6.932 ( 9.332 -0.000 1.473) 9.448 6.991 ( 18.133 -0.000 -0.948) 18.158 7.293 ( -5.017 0.000 5.148) 7.189 7.506 ( 10.933 -0.000 3.818) 11.581 7.784 ( 13.801 -0.000 2.138) 13.966 9.285 ( -25.409 0.000 -16.289) 30.182 9.729 ( -0.484 -0.000 8.626) 8.640 10.063 ( -33.573 0.000 -18.493) 38.329 10.674 ( 0.513 0.000 -5.326) 5.351 10.867 ( 4.101 -0.000 12.076) 12.753 10.895 ( -3.076 0.000 4.183) 5.192 11.747 ( 41.508 -0.000 3.274) 41.637 11.845 ( -2.138 0.000 -13.450) 13.619 11.933 ( 13.109 -0.000 24.013) 27.358 12.947 ( 6.441 -0.000 12.199) 13.795 13.430 ( -7.399 0.000 -9.568) 12.095 14.529 ( 2.416 -0.000 3.842) 4.539 14.649 ( 0.858 -0.000 -0.687) 1.099 14.763 ( 26.084 -0.000 -5.944) 26.753 15.104 ( -0.097 -0.000 26.981) 26.981 15.355 ( -7.052 0.000 -13.114) 14.890 15.955 ( 5.074 0.000 -10.854) 11.981 16.027 ( -37.868 0.000 -0.600) 37.872 16.273 ( 5.806 -0.000 -6.169) 8.471 16.408 ( -0.282 0.000 -0.025) 0.283 16.647 ( 22.664 -0.000 -3.810) 22.982 17.073 ( 4.284 -0.000 -2.668) 5.047 17.149 ( 0.295 -0.000 5.460) 5.468 17.257 ( 10.842 -0.000 -11.886) 16.088 17.414 ( -2.904 0.000 -2.695) 3.962 17.656 ( -2.007 0.000 -2.222) 2.994 17.830 ( -1.737 -0.000 12.769) 12.886 18.279 ( 2.294 -0.000 11.823) 12.043 18.429 ( -20.523 0.000 -15.570) 25.761 18.586 ( -8.472 0.000 2.104) 8.729 18.854 ( -10.882 0.000 -21.268) 23.890 19.209 ( 16.777 -0.000 -16.872) 23.794 19.316 ( -2.339 -0.000 8.088) 8.420 19.385 ( 13.807 -0.000 -5.209) 14.757 19.562 ( -20.594 0.000 -2.567) 20.753 19.911 ( -10.696 0.000 2.529) 10.991 20.139 ( 2.448 -0.000 23.278) 23.406 20.643 ( -16.327 0.000 -8.081) 18.217 20.668 ( 0.598 -0.000 0.439) 0.742 20.886 ( 10.902 -0.000 8.721) 13.961 21.599 ( -19.061 0.000 7.188) 20.371 21.860 ( 1.663 -0.000 6.840) 7.039 21.953 ( 5.500 -0.000 -0.321) 5.510 21.961 ( 2.798 -0.000 -0.626) 2.867 22.216 ( -2.983 0.000 -1.908) 3.541 22.283 ( 2.300 -0.000 -2.939) 3.732 22.509 ( 6.267 -0.000 9.881) 11.701 22.513 ( 2.002 -0.000 6.123) 6.442 22.686 ( 1.682 -0.000 -2.840) 3.301 22.877 ( 5.014 -0.000 -0.136) 5.016 22.932 ( 0.419 0.000 -1.249) 1.318 23.166 ( -10.803 0.000 -5.260) 12.015 23.477 ( 4.987 -0.000 -1.611) 5.241 23.555 ( 2.509 -0.000 4.525) 5.173 23.621 ( -5.368 0.000 0.130) 5.369 23.851 ( -1.577 0.000 -5.992) 6.196 23.963 ( -0.065 0.000 -1.058) 1.060 23.976 ( -6.121 0.000 -5.713) 8.373 24.600 ( 4.499 -0.000 0.182) 4.503 24.775 ( -6.861 0.000 3.521) 7.712 24.920 ( -6.332 0.000 -1.771) 6.575 25.613 ( 0.160 0.000 -0.678) 0.696 26.334 ( 4.990 -0.000 1.322) 5.163 26.397 ( 0.453 -0.000 -0.042) 0.455 26.743 ( 4.677 -0.000 2.546) 5.325 26.814 ( -2.396 0.000 1.043) 2.614 28.402 ( 1.848 -0.000 2.913) 3.450 28.513 ( -0.809 0.000 -3.495) 3.588 28.933 ( 7.406 -0.000 -2.261) 7.743 29.039 ( 5.420 -0.000 -0.996) 5.511 29.155 ( -6.860 0.000 -2.496) 7.300 29.300 ( -3.117 0.000 -2.825) 4.207 29.592 ( -1.013 0.000 1.062) 1.467 29.897 ( 2.563 -0.000 5.696) 6.246 29.920 ( -0.822 -0.000 3.908) 3.993 30.200 ( -6.114 0.000 2.561) 6.628 30.239 ( 1.574 0.000 -3.819) 4.131 30.502 ( -1.424 0.000 -1.595) 2.138 31.064 ( 0.474 -0.000 0.775) 0.908 31.529 ( 2.091 -0.000 -0.133) 2.095 31.721 ( 2.608 -0.000 0.250) 2.619 32.335 ( 0.609 -0.000 -0.369) 0.712 32.651 ( -2.570 0.000 -1.867) 3.177 33.223 ( 1.880 -0.000 -0.170) 1.887 34.387 ( 0.472 -0.000 0.344) 0.584 34.837 ( -0.751 0.000 -0.947) 1.209 49.725 ( 3.165 -0.000 -0.293) 3.179 49.811 ( -0.562 -0.000 1.915) 1.995 ======================= Grid point 32 (32/105) ======================= q-point: (-0.06 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -37.145 0.000 -42.016) 56.081 3.776 ( -43.624 0.000 11.056) 45.004 5.039 ( -45.527 0.000 -61.809) 76.766 6.620 ( -4.647 0.000 -2.089) 5.095 6.816 ( -10.823 0.000 -5.601) 12.186 7.088 ( 6.500 -0.000 -3.900) 7.580 7.535 ( 6.635 -0.000 -2.692) 7.160 8.027 ( 5.704 -0.000 -4.471) 7.248 8.244 ( -69.415 0.000 -61.712) 92.881 9.027 ( -30.288 -0.000 55.641) 63.351 9.972 ( 4.904 -0.000 -4.703) 6.794 10.591 ( -0.542 0.000 -5.312) 5.340 11.246 ( -0.499 0.000 -8.193) 8.208 11.349 ( 23.660 -0.000 -3.798) 23.963 11.784 ( 5.177 -0.000 35.304) 35.682 12.161 ( 43.707 -0.000 11.267) 45.136 12.286 ( 6.167 -0.000 1.991) 6.480 12.625 ( -8.423 0.000 -10.434) 13.410 13.018 ( -26.782 0.000 16.471) 31.441 13.483 ( -4.242 0.000 0.525) 4.274 14.086 ( -24.071 0.000 -11.339) 26.608 14.292 ( -10.693 -0.000 21.478) 23.993 14.628 ( -17.098 0.000 7.179) 18.544 14.959 ( -24.346 0.000 -0.503) 24.351 15.582 ( 4.546 -0.000 21.343) 21.822 16.041 ( -12.313 0.000 14.014) 18.654 16.278 ( 7.571 -0.000 6.852) 10.212 16.611 ( 7.118 -0.000 -1.324) 7.240 16.782 ( -11.614 0.000 -2.872) 11.964 16.908 ( -1.224 -0.000 5.107) 5.252 17.198 ( 2.332 0.000 -4.598) 5.156 17.550 ( 4.780 0.000 -10.016) 11.098 17.763 ( 8.891 -0.000 5.561) 10.486 17.839 ( 0.074 0.000 -10.966) 10.966 17.855 ( 11.875 -0.000 -7.294) 13.937 18.256 ( -6.335 0.000 -18.607) 19.656 18.592 ( -15.362 0.000 6.441) 16.657 18.693 ( 3.827 -0.000 -1.911) 4.278 18.843 ( 6.490 -0.000 18.704) 19.798 19.361 ( 0.410 0.000 -3.379) 3.404 19.563 ( 10.764 -0.000 -11.573) 15.805 19.707 ( 24.917 -0.000 -9.361) 26.617 20.063 ( -12.802 0.000 -3.740) 13.337 20.079 ( 6.302 0.000 -15.733) 16.948 20.273 ( 3.063 -0.000 15.512) 15.811 20.490 ( 13.911 -0.000 16.035) 21.228 20.958 ( 14.225 -0.000 8.535) 16.589 21.028 ( -3.638 0.000 -9.015) 9.721 21.765 ( 0.469 0.000 -10.167) 10.178 21.963 ( 7.310 -0.000 -2.228) 7.642 21.973 ( 4.874 -0.000 -0.120) 4.875 22.088 ( -2.931 0.000 -8.973) 9.439 22.145 ( -6.550 0.000 0.487) 6.568 22.262 ( -0.106 0.000 -5.107) 5.108 22.387 ( -3.423 0.000 2.514) 4.247 22.606 ( 2.837 0.000 -8.608) 9.064 22.751 ( 5.225 -0.000 -5.339) 7.470 22.872 ( 4.281 -0.000 6.869) 8.094 22.899 ( 11.561 -0.000 -3.095) 11.968 23.175 ( -8.138 0.000 4.863) 9.480 23.517 ( 5.221 -0.000 6.557) 8.382 23.734 ( 9.947 -0.000 4.227) 10.808 23.770 ( -2.729 0.000 -3.268) 4.257 23.928 ( 2.571 -0.000 3.258) 4.151 24.154 ( -5.615 0.000 -9.208) 10.785 24.265 ( 12.204 -0.000 10.775) 16.280 24.537 ( 6.470 -0.000 4.684) 7.988 25.012 ( 4.515 -0.000 0.051) 4.515 25.116 ( 1.051 -0.000 11.142) 11.192 25.637 ( 2.211 -0.000 3.661) 4.277 26.090 ( -6.194 0.000 0.030) 6.194 26.199 ( -7.968 0.000 4.598) 9.199 26.588 ( 1.260 0.000 -11.337) 11.407 26.828 ( -0.752 0.000 -0.302) 0.810 28.276 ( -5.384 0.000 -4.365) 6.931 28.510 ( -0.950 -0.000 6.094) 6.168 28.555 ( -8.899 0.000 -0.986) 8.954 28.817 ( -5.341 0.000 -1.723) 5.612 29.371 ( 3.380 -0.000 1.741) 3.802 29.478 ( 5.091 -0.000 2.851) 5.834 29.669 ( 2.366 -0.000 -0.329) 2.388 29.819 ( -1.907 0.000 -9.072) 9.271 29.995 ( 1.514 0.000 -3.179) 3.521 30.157 ( -0.821 0.000 0.790) 1.139 30.578 ( 10.695 -0.000 1.971) 10.875 30.731 ( 8.922 -0.000 0.423) 8.932 31.222 ( 8.711 -0.000 -5.189) 10.139 31.314 ( -6.636 0.000 1.387) 6.780 31.488 ( -8.428 0.000 -1.267) 8.522 32.148 ( -7.678 0.000 3.753) 8.546 32.704 ( 0.041 -0.000 5.881) 5.881 33.008 ( -10.042 0.000 -0.007) 10.042 34.380 ( 0.145 0.000 -0.583) 0.601 34.854 ( 0.226 -0.000 1.718) 1.733 49.609 ( -1.416 0.000 -0.292) 1.446 49.970 ( 4.782 0.000 -8.773) 9.991 ======================= Grid point 33 (33/105) ======================= q-point: ( 0.34 0.16 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( 42.410 -0.422 -1.642) 42.444 5.413 ( 14.767 51.494 15.970) 55.899 6.321 ( 2.013 -1.834 13.340) 13.615 6.557 ( 8.272 -18.368 -3.968) 20.532 6.653 ( 21.052 2.099 5.303) 21.811 6.894 ( 9.500 -4.339 -2.426) 10.722 7.460 ( -6.778 5.314 2.274) 8.908 7.717 ( 21.545 -16.428 -14.025) 30.509 8.209 ( -9.937 1.804 0.195) 10.102 8.934 ( 17.383 -11.373 0.436) 20.778 10.052 ( 31.217 0.104 23.120) 38.847 10.425 ( 13.827 -4.216 -13.103) 19.510 10.952 ( -6.161 -3.143 -5.249) 8.683 11.241 ( -6.487 -3.210 -8.455) 11.129 11.693 ( -14.711 13.768 7.435) 21.477 11.945 ( -20.223 -12.371 -5.586) 24.356 12.759 ( 8.113 26.027 -9.821) 28.977 12.891 ( 14.954 19.041 -7.837) 25.448 13.039 ( 8.396 4.285 2.681) 9.800 13.290 ( 8.208 -10.643 6.769) 15.048 13.403 ( 11.472 -22.187 5.441) 25.564 13.985 ( 11.706 -17.751 2.530) 21.413 14.179 ( 31.731 -8.102 1.830) 32.800 14.949 ( 16.644 1.817 -0.629) 16.754 15.174 ( -7.352 5.771 -3.315) 9.917 15.983 ( 8.456 8.542 -5.517) 13.226 16.529 ( -11.870 7.734 -1.732) 14.273 16.722 ( -5.780 2.048 -3.699) 7.161 16.993 ( 2.124 -18.254 9.156) 20.531 17.119 ( -1.074 6.193 4.793) 7.904 17.297 ( 7.975 7.230 -7.307) 13.010 17.482 ( 6.800 1.924 5.878) 9.193 17.913 ( 4.143 4.504 -1.593) 6.323 18.005 ( -10.941 1.506 -1.448) 11.139 18.146 ( -2.149 4.799 1.637) 5.507 18.277 ( -5.895 -10.061 3.174) 12.085 18.480 ( -6.647 -6.115 -0.750) 9.063 18.675 ( -2.053 -11.558 1.889) 11.890 19.027 ( -16.460 -1.383 -0.590) 16.528 19.204 ( -13.642 18.341 1.894) 22.937 19.649 ( 0.057 15.192 -2.810) 15.450 19.847 ( 9.873 -2.317 -8.213) 13.050 19.892 ( -6.454 11.518 1.968) 13.349 20.143 ( -2.845 -1.811 -5.543) 6.488 20.336 ( -5.815 3.590 2.762) 7.371 20.658 ( -7.377 5.953 3.196) 10.003 20.720 ( -1.363 -31.303 1.917) 31.391 21.233 ( -7.491 -0.840 -0.009) 7.538 21.357 ( -1.206 1.139 -1.668) 2.352 21.729 ( -5.436 -8.642 -1.153) 10.274 21.917 ( -2.710 -0.376 -1.004) 2.914 21.954 ( -5.385 -1.078 1.062) 5.593 22.167 ( 4.013 -1.410 0.048) 4.254 22.294 ( 2.079 0.840 1.900) 2.939 22.385 ( 1.833 0.022 -1.770) 2.548 22.662 ( 2.420 3.964 0.046) 4.645 22.743 ( -3.702 0.054 -3.511) 5.102 22.997 ( -8.228 -1.431 2.686) 8.772 23.067 ( -13.187 2.688 9.450) 16.445 23.152 ( -13.991 -3.140 -5.568) 15.382 23.500 ( 4.477 3.240 2.353) 6.007 23.621 ( 1.001 -1.896 -1.411) 2.567 23.884 ( -0.994 0.766 -0.877) 1.531 24.021 ( -3.356 0.704 -5.258) 6.277 24.161 ( 1.949 1.523 1.454) 2.869 24.374 ( -4.267 3.958 7.988) 9.884 24.510 ( 6.553 -1.662 -5.268) 8.570 24.885 ( -5.741 3.376 0.748) 6.702 25.028 ( -6.240 2.167 -3.294) 7.381 25.368 ( -1.566 -8.117 0.170) 8.269 26.020 ( 10.839 -0.708 -0.241) 10.865 26.240 ( 6.628 1.283 -0.074) 6.751 26.743 ( -0.867 -0.164 -2.230) 2.399 26.792 ( -2.152 -0.153 2.345) 3.187 28.333 ( 6.174 0.057 0.290) 6.181 28.358 ( 4.119 -0.740 -0.593) 4.227 28.586 ( 5.869 -0.718 1.413) 6.079 28.945 ( 2.242 0.584 0.632) 2.401 29.432 ( -4.897 1.082 -0.147) 5.017 29.529 ( -5.005 4.551 -2.081) 7.077 29.713 ( -1.650 4.864 -3.016) 5.957 29.855 ( -2.063 -7.346 6.817) 10.232 30.105 ( 4.003 4.744 -5.142) 8.060 30.183 ( -0.622 -1.416 5.389) 5.607 30.541 ( -6.980 -5.170 0.034) 8.686 30.573 ( -7.910 0.532 -1.167) 8.013 31.241 ( -0.998 -0.587 0.388) 1.221 31.313 ( -5.723 -0.147 0.282) 5.732 31.665 ( 7.299 7.452 2.463) 10.718 31.828 ( 7.000 -9.076 -3.357) 11.943 32.736 ( 6.461 4.552 -3.666) 8.713 32.942 ( 6.418 -3.406 2.597) 7.716 34.538 ( 0.451 5.457 1.210) 5.607 34.688 ( -0.192 -5.201 -1.348) 5.376 49.686 ( -0.110 1.215 -0.146) 1.229 50.220 ( -9.520 1.082 3.344) 10.148 ======================= Grid point 34 (34/105) ======================= q-point: ( 0.34 -0.51 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.247 ( -32.194 -4.229 3.530) 32.662 5.654 ( 4.978 25.195 2.905) 25.846 5.905 ( -8.534 38.835 -7.802) 40.520 6.615 ( -8.175 -11.783 -2.499) 14.557 7.205 ( -15.364 0.707 1.590) 15.463 7.258 ( -12.702 -3.876 -1.703) 13.389 7.374 ( -10.185 -2.782 -0.702) 10.581 7.572 ( 10.456 -5.115 -4.961) 12.653 8.867 ( 3.631 -13.899 -0.743) 14.384 9.300 ( 29.853 -11.315 10.443) 33.590 9.799 ( -1.791 -8.034 -6.532) 10.508 9.850 ( 9.747 -7.369 -7.267) 14.217 11.091 ( -23.486 14.466 -4.516) 27.951 11.314 ( -12.604 -6.967 24.404) 28.337 12.058 ( -16.044 13.766 5.185) 21.767 12.406 ( -2.127 25.513 -11.192) 27.941 12.806 ( 12.466 5.204 -10.848) 17.325 12.954 ( 10.710 -27.022 -2.385) 29.165 13.568 ( -7.451 23.486 0.365) 24.642 13.779 ( -19.807 10.950 -9.082) 24.387 14.264 ( -5.010 -17.405 5.689) 18.984 14.374 ( 8.161 -4.205 -10.294) 13.792 14.674 ( -7.143 -18.379 0.102) 19.718 14.884 ( 7.367 -17.535 1.999) 19.125 15.722 ( -10.292 -17.006 1.916) 19.971 15.811 ( 31.856 6.190 -4.835) 32.810 16.298 ( -2.770 14.128 -4.051) 14.957 16.693 ( 0.121 -20.337 -6.388) 21.317 16.921 ( -6.275 2.262 11.631) 13.408 17.048 ( 8.106 4.363 10.767) 14.166 17.470 ( -8.331 19.242 2.267) 21.090 17.621 ( 0.880 9.458 2.341) 9.783 17.889 ( -3.344 7.570 3.772) 9.095 18.044 ( -7.283 14.296 8.892) 18.343 18.169 ( -2.563 -4.296 2.737) 5.702 18.309 ( -4.115 9.187 6.668) 12.075 18.534 ( 3.926 -9.322 1.374) 10.208 18.698 ( -3.022 -13.370 14.799) 20.172 18.864 ( 4.136 3.212 2.412) 5.765 19.047 ( -1.942 -18.154 1.914) 18.358 19.425 ( 3.716 9.752 3.698) 11.072 19.548 ( 9.869 6.833 -7.211) 14.003 19.656 ( 0.437 6.376 -8.704) 10.799 19.888 ( -3.755 23.379 0.660) 23.687 20.101 ( 18.718 -4.650 -0.520) 19.294 20.480 ( 6.047 -10.889 -4.964) 13.408 20.504 ( -8.985 -4.584 -6.344) 11.916 20.743 ( 2.233 -23.682 -10.914) 26.171 21.335 ( 4.779 9.388 -6.792) 12.534 21.453 ( -2.533 -11.963 0.608) 12.243 21.737 ( 0.759 7.421 -9.862) 12.365 21.852 ( -1.251 -5.328 -0.540) 5.500 22.055 ( -6.112 3.285 0.452) 6.953 22.236 ( 4.024 -4.002 0.264) 5.682 22.418 ( -2.204 1.026 6.118) 6.584 22.491 ( 2.162 -1.350 2.676) 3.696 22.855 ( -4.731 0.088 1.414) 4.939 22.895 ( 0.564 4.102 -0.230) 4.147 22.948 ( 4.777 0.525 -1.496) 5.034 23.065 ( 9.020 -4.611 2.456) 10.424 23.503 ( -5.226 0.444 3.727) 6.434 23.662 ( 9.864 0.471 3.654) 10.529 23.857 ( -7.500 4.279 0.353) 8.643 23.971 ( 0.030 0.040 3.145) 3.145 24.185 ( 2.964 7.185 -0.577) 7.794 24.263 ( -0.830 8.144 -9.517) 12.553 24.504 ( 8.262 -3.511 0.199) 8.979 24.536 ( -3.095 -10.555 2.145) 11.207 25.049 ( 4.694 13.087 -3.103) 14.245 25.313 ( 1.021 -15.353 1.125) 15.428 26.363 ( -5.009 0.032 2.479) 5.589 26.424 ( 1.148 0.260 2.885) 3.116 26.692 ( -6.578 -0.067 -2.728) 7.122 26.778 ( 2.713 0.583 -3.341) 4.343 28.404 ( -4.307 2.728 -1.343) 5.272 28.521 ( 2.977 -1.891 1.440) 3.810 28.933 ( -6.686 0.457 1.541) 6.876 29.045 ( -0.334 -3.008 -0.429) 3.057 29.381 ( -0.098 2.026 3.912) 4.407 29.441 ( 5.019 2.599 4.396) 7.161 29.566 ( 1.500 3.430 -3.361) 5.032 29.627 ( -0.508 -4.139 -3.067) 5.176 30.015 ( -3.155 2.282 -2.304) 4.524 30.127 ( 5.852 0.845 -4.161) 7.230 30.361 ( 0.195 2.976 2.619) 3.969 30.453 ( 1.832 -4.027 1.746) 4.756 31.141 ( -3.125 5.627 -0.496) 6.456 31.330 ( 1.629 -7.568 0.574) 7.763 31.854 ( -3.944 6.945 0.058) 7.987 32.061 ( 1.176 -9.761 0.919) 9.874 32.943 ( 1.667 8.895 0.077) 9.050 33.058 ( -3.432 -8.326 -0.644) 9.029 34.555 ( -1.035 7.473 0.182) 7.547 34.712 ( 0.970 -6.892 0.575) 6.983 49.768 ( -5.991 -0.419 0.295) 6.013 49.862 ( 7.127 4.340 0.399) 8.354 ======================= Grid point 35 (35/105) ======================= q-point: ( 0.34 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -46.365 4.444 19.934) 50.664 3.087 ( -40.059 5.683 41.585) 58.020 4.161 ( -73.565 30.545 61.598) 100.693 5.175 ( -25.118 88.639 14.443) 93.255 6.594 ( -2.146 2.171 9.667) 10.138 6.907 ( -3.371 3.836 -1.931) 5.460 7.109 ( 5.004 -4.570 -3.267) 7.523 7.958 ( 8.824 -1.484 -3.208) 9.506 8.271 ( 10.541 -2.532 7.265) 13.050 9.195 ( -2.988 -25.580 -30.331) 39.790 9.452 ( -12.861 -22.412 -29.049) 38.878 10.927 ( 14.106 20.884 3.721) 25.475 10.968 ( 7.946 8.648 14.920) 18.988 11.414 ( -2.736 -5.072 21.868) 22.615 12.263 ( -17.528 8.947 2.951) 19.899 12.478 ( 4.971 -24.518 -3.656) 25.282 12.563 ( -2.508 3.775 6.764) 8.142 12.748 ( -5.038 -6.200 -8.492) 11.659 12.868 ( 5.128 -15.266 0.746) 16.122 13.005 ( -16.795 19.273 -4.533) 25.963 13.686 ( 3.131 -35.524 -24.534) 43.286 13.803 ( 1.830 -4.762 -4.376) 6.721 14.715 ( 0.712 5.314 -16.027) 16.900 14.857 ( -1.586 0.521 -19.897) 19.967 15.658 ( 12.767 -9.108 -11.372) 19.372 16.310 ( -13.585 3.435 -18.679) 23.351 16.670 ( 8.404 2.607 3.978) 9.656 16.815 ( 2.284 -10.183 0.026) 10.436 16.869 ( -2.229 -14.750 4.830) 15.680 17.118 ( -7.069 13.811 1.041) 15.550 17.244 ( -7.883 9.698 -10.639) 16.413 17.428 ( -3.634 16.262 -4.331) 17.217 17.773 ( 2.020 7.248 16.618) 18.242 17.923 ( 7.510 13.038 -2.463) 15.246 18.020 ( -2.509 -20.862 2.339) 21.142 18.269 ( -3.016 17.706 -0.488) 17.968 18.530 ( 3.277 9.974 5.004) 11.630 18.607 ( -7.781 5.998 20.215) 22.476 18.877 ( -1.027 -18.990 8.755) 20.936 18.982 ( -10.877 -4.170 7.592) 13.905 19.480 ( 10.618 1.903 5.748) 12.223 19.875 ( 3.147 11.220 -10.733) 15.843 20.051 ( 7.304 23.986 -1.227) 25.103 20.377 ( -2.055 3.062 -0.343) 3.704 20.601 ( 15.979 -24.129 -1.016) 28.958 20.754 ( 7.302 -14.098 4.114) 16.401 20.821 ( 5.065 -13.669 -7.768) 16.517 20.916 ( 0.028 5.214 5.952) 7.913 21.295 ( -0.286 -10.625 0.811) 10.659 21.569 ( -6.758 -10.896 6.943) 14.581 21.698 ( 2.628 3.225 10.733) 11.511 21.899 ( 0.375 -3.251 9.913) 10.440 22.060 ( 12.459 1.589 3.864) 13.141 22.372 ( -0.725 -4.766 -1.687) 5.108 22.537 ( 7.587 3.289 -2.007) 8.510 22.634 ( -4.645 2.558 -4.908) 7.226 22.773 ( -1.356 2.482 -3.540) 4.531 22.973 ( 5.834 5.833 3.350) 8.904 23.077 ( 1.297 4.245 1.625) 4.726 23.207 ( -11.108 0.941 8.496) 14.016 23.517 ( -14.147 4.160 5.100) 15.603 23.589 ( -1.864 -2.766 -2.471) 4.151 23.830 ( -3.527 2.189 2.709) 4.957 23.964 ( 9.970 -7.834 -1.574) 12.777 24.451 ( 10.048 3.304 -14.635) 18.057 24.704 ( 7.066 2.255 -11.358) 13.565 24.936 ( 8.219 -0.571 -6.753) 10.653 25.088 ( 7.154 4.573 0.310) 8.496 25.309 ( 3.523 -2.177 -5.307) 6.731 25.563 ( 5.039 -13.846 -4.366) 15.367 25.924 ( -8.935 -2.597 -3.770) 10.040 26.229 ( -4.868 1.489 -7.440) 9.015 26.325 ( 1.451 -2.319 13.973) 14.238 26.745 ( -0.871 1.711 9.015) 9.218 28.145 ( -3.812 2.868 1.452) 4.986 28.371 ( -7.422 1.603 -4.222) 8.688 28.531 ( -1.602 0.864 -1.517) 2.369 28.811 ( -1.649 0.203 4.471) 4.770 29.492 ( -0.972 0.423 4.028) 4.165 29.613 ( 2.747 -0.545 -1.776) 3.316 29.726 ( 1.869 0.389 -0.665) 2.021 29.882 ( 2.761 14.550 -1.338) 14.870 29.895 ( -1.245 -5.102 2.888) 5.994 30.265 ( 1.010 5.233 -2.570) 5.917 30.706 ( 7.024 -6.857 -1.466) 9.925 30.783 ( 6.399 -3.697 0.898) 7.445 31.170 ( 2.112 3.266 3.102) 4.975 31.380 ( 0.160 2.269 0.947) 2.464 31.421 ( -4.584 5.227 2.390) 7.352 31.854 ( -5.468 -10.545 -3.287) 12.324 32.491 ( -13.543 -7.612 3.663) 15.961 32.941 ( -0.804 4.345 -3.356) 5.549 34.495 ( -0.599 5.114 0.384) 5.163 34.763 ( 0.796 -5.272 -1.495) 5.538 49.663 ( 0.339 0.319 1.185) 1.273 50.619 ( 15.466 13.879 -12.831) 24.422 ======================= Grid point 36 (36/105) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( 42.939 -75.468 0.000) 86.829 4.804 ( 31.143 9.770 0.000) 32.639 5.235 ( 61.655 -3.651 0.000) 61.763 6.601 ( 1.971 6.476 0.000) 6.769 6.933 ( 1.541 -0.565 0.000) 1.641 7.195 ( 10.547 0.757 0.000) 10.574 7.336 ( -6.282 -3.863 -0.000) 7.374 7.722 ( -7.791 0.521 -0.000) 7.808 8.164 ( 105.413 -6.931 0.000) 105.641 9.466 ( -15.078 15.095 -0.000) 21.336 10.196 ( -4.155 28.348 0.000) 28.651 10.435 ( -27.314 8.543 -0.000) 28.619 10.865 ( -12.080 -1.419 -0.000) 12.163 11.486 ( 12.827 -10.293 0.000) 16.446 11.772 ( -11.668 -12.784 -0.000) 17.308 12.098 ( -12.743 -13.664 -0.000) 18.684 12.629 ( 6.660 -14.780 0.000) 16.211 12.850 ( 4.705 -12.242 -0.000) 13.115 13.268 ( 1.520 7.849 0.000) 7.995 13.968 ( -0.550 -21.084 -0.000) 21.091 14.095 ( 26.948 15.393 0.000) 31.035 14.377 ( -7.245 39.644 0.000) 40.300 14.899 ( 28.957 26.769 0.000) 39.435 14.961 ( -3.185 1.080 -0.000) 3.363 16.078 ( -9.398 -7.408 -0.000) 11.966 16.104 ( 4.463 31.326 0.000) 31.643 16.664 ( 6.102 -13.052 0.000) 14.408 16.817 ( -32.519 12.113 -0.000) 34.702 16.927 ( 11.555 5.416 0.000) 12.761 17.047 ( -5.781 -14.003 -0.000) 15.149 17.217 ( -4.715 -6.567 -0.000) 8.084 17.534 ( 12.766 -27.896 0.000) 30.678 17.605 ( -16.212 -10.478 -0.000) 19.303 17.719 ( 0.133 -10.415 -0.000) 10.416 17.781 ( 7.521 -3.226 0.000) 8.184 18.062 ( 10.351 -18.251 0.000) 20.982 18.703 ( 2.963 1.137 0.000) 3.174 18.939 ( -9.184 6.537 -0.000) 11.273 18.964 ( -0.405 -13.610 -0.000) 13.616 19.114 ( 6.768 9.475 0.000) 11.644 19.294 ( 0.466 13.272 0.000) 13.280 19.636 ( -16.944 -2.133 -0.000) 17.078 19.677 ( 15.637 9.202 0.000) 18.144 19.989 ( 5.503 2.912 0.000) 6.226 20.154 ( 0.559 -2.663 -0.000) 2.721 20.592 ( -18.052 -4.474 -0.000) 18.598 20.639 ( -6.466 6.399 -0.000) 9.097 21.069 ( -10.493 -13.453 -0.000) 17.061 21.292 ( -4.954 15.730 0.000) 16.492 21.506 ( -11.684 3.828 -0.000) 12.296 21.699 ( 4.949 19.001 0.000) 19.635 21.863 ( 4.422 1.736 0.000) 4.751 21.916 ( 5.064 0.102 0.000) 5.066 22.310 ( -0.494 -1.106 -0.000) 1.211 22.468 ( 1.400 -0.464 0.000) 1.475 22.520 ( -2.331 -6.457 -0.000) 6.865 22.786 ( 0.760 -3.115 -0.000) 3.206 22.910 ( -4.426 -1.439 -0.000) 4.654 23.075 ( -5.655 0.869 -0.000) 5.721 23.377 ( -9.011 2.556 -0.000) 9.367 23.601 ( 3.094 -2.357 0.000) 3.889 23.630 ( -1.690 1.978 -0.000) 2.602 23.821 ( 6.381 -7.629 0.000) 9.946 23.904 ( -3.682 1.681 -0.000) 4.048 24.094 ( -9.818 1.446 -0.000) 9.923 24.294 ( -16.286 0.283 -0.000) 16.288 24.392 ( 6.094 -11.911 0.000) 13.380 24.798 ( -8.495 3.364 -0.000) 9.137 25.082 ( -8.958 2.474 -0.000) 9.293 25.618 ( -4.444 8.361 -0.000) 9.469 26.294 ( 5.574 0.261 0.000) 5.580 26.458 ( 4.139 0.617 0.000) 4.185 26.504 ( 7.259 -0.971 0.000) 7.324 26.705 ( 2.096 -0.813 0.000) 2.248 28.226 ( 4.777 -2.421 0.000) 5.356 28.594 ( 0.528 -0.260 0.000) 0.588 28.891 ( 7.156 4.782 0.000) 8.606 28.964 ( 9.539 2.450 0.000) 9.848 29.418 ( -3.393 -12.639 -0.000) 13.086 29.452 ( -4.983 -0.704 -0.000) 5.032 29.542 ( -0.364 1.384 0.000) 1.431 29.645 ( -2.146 0.778 -0.000) 2.283 29.961 ( 1.153 1.073 0.000) 1.575 30.071 ( -3.692 -4.732 -0.000) 6.002 30.461 ( -7.225 0.578 -0.000) 7.248 30.596 ( -4.783 2.679 -0.000) 5.482 31.024 ( 0.174 -1.830 -0.000) 1.838 31.433 ( 3.274 3.663 0.000) 4.913 31.643 ( 7.198 -3.677 0.000) 8.083 32.246 ( 2.075 8.012 0.000) 8.276 32.848 ( -2.459 -5.778 -0.000) 6.280 33.110 ( 5.249 7.289 0.000) 8.982 34.419 ( 0.420 -4.910 -0.000) 4.928 34.843 ( -0.651 4.260 0.000) 4.310 49.669 ( 3.260 -0.601 0.000) 3.315 49.851 ( -5.233 -10.358 -0.000) 11.605 ======================= Grid point 37 (37/105) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( -41.133 -0.661 1.303) 41.159 5.252 ( -8.990 -36.470 -18.955) 42.073 6.329 ( -26.877 5.636 26.760) 38.344 6.390 ( 10.554 3.773 1.837) 11.358 7.007 ( -5.973 -1.400 -1.549) 6.327 7.248 ( 2.901 4.100 -5.815) 7.683 7.863 ( 9.253 -3.566 0.141) 9.918 8.089 ( -11.288 25.272 -8.778) 29.037 8.441 ( -12.712 -2.212 -22.292) 25.757 9.460 ( -1.453 25.323 1.759) 25.425 10.129 ( -0.492 14.091 13.341) 19.410 10.264 ( 10.128 -2.141 10.356) 14.643 10.653 ( 11.736 -3.880 15.454) 19.789 11.208 ( -21.508 -17.194 14.793) 31.258 11.831 ( -4.500 -17.308 -8.816) 19.938 12.004 ( 8.033 12.492 -19.806) 24.756 12.475 ( -19.936 -11.045 -8.276) 24.247 12.631 ( -27.866 -5.828 17.537) 33.437 13.147 ( -5.238 -9.442 -0.542) 10.811 13.678 ( -6.334 -1.199 -4.660) 7.954 14.273 ( -14.425 10.522 -3.458) 18.187 14.474 ( -4.742 10.863 -2.817) 12.183 14.926 ( -9.905 -6.662 8.901) 14.890 14.982 ( 4.661 7.168 3.559) 9.261 15.383 ( -30.854 27.164 2.625) 41.191 15.976 ( -16.987 -6.221 -7.609) 19.625 16.399 ( 0.480 -3.254 -10.516) 11.018 16.645 ( 14.276 8.091 -4.716) 17.073 16.899 ( -1.767 -19.118 -2.411) 19.350 17.237 ( 7.567 -2.155 -16.578) 18.351 17.384 ( -2.479 -3.206 4.883) 6.346 17.447 ( -0.546 -5.832 -6.013) 8.395 17.718 ( 4.851 7.007 8.732) 12.202 17.883 ( 10.541 -5.961 -6.262) 13.633 18.101 ( 6.868 -4.079 -6.927) 10.573 18.278 ( 17.373 -4.679 -2.741) 18.199 18.418 ( 11.325 6.054 5.441) 13.947 18.561 ( -1.256 -19.908 3.041) 20.178 18.783 ( -8.626 10.096 -3.092) 13.634 19.044 ( 0.378 6.258 0.844) 6.326 19.413 ( 7.229 9.933 3.727) 12.838 19.550 ( 6.129 -8.730 9.008) 13.961 19.633 ( 10.994 1.350 -5.472) 12.355 20.007 ( 0.500 -5.488 10.852) 12.171 20.185 ( 5.034 -1.497 6.104) 8.052 20.556 ( -10.737 -4.627 2.770) 12.015 20.733 ( 7.074 -4.943 4.512) 9.738 20.861 ( 10.183 -10.501 -2.568) 14.852 21.505 ( 1.383 5.447 14.403) 15.460 21.799 ( -1.602 7.091 7.023) 10.108 21.990 ( 1.814 14.628 0.119) 14.740 22.049 ( -3.529 5.377 -5.686) 8.585 22.168 ( 4.818 2.762 4.252) 6.995 22.305 ( -1.700 1.454 -0.932) 2.423 22.392 ( -1.077 4.099 0.789) 4.311 22.551 ( 1.224 5.863 -0.333) 5.999 22.793 ( 11.010 1.142 -4.422) 11.920 22.865 ( -0.196 -1.966 -2.788) 3.417 22.947 ( 0.920 -1.422 -4.393) 4.708 23.122 ( 7.338 4.065 -1.843) 8.589 23.564 ( -0.717 -2.155 0.282) 2.289 23.706 ( -0.588 -1.446 -2.601) 3.033 23.783 ( -0.362 -8.482 -4.825) 9.765 23.919 ( -6.348 1.268 1.290) 6.601 24.081 ( 10.551 -1.708 0.065) 10.689 24.149 ( 10.924 -14.616 -3.863) 18.651 24.606 ( -0.912 2.421 -2.401) 3.529 24.759 ( 3.822 -1.789 -2.050) 4.691 24.793 ( 4.602 0.698 8.927) 10.068 25.544 ( -0.003 7.352 -0.281) 7.357 26.197 ( -9.111 -0.508 2.424) 9.442 26.347 ( -4.390 -0.487 -2.335) 4.997 26.640 ( -5.622 0.083 6.541) 8.626 26.848 ( 1.161 -0.015 -0.883) 1.459 28.379 ( -2.945 -0.564 0.283) 3.011 28.483 ( -1.545 0.803 -2.485) 3.034 28.821 ( -7.810 2.666 -3.141) 8.830 29.017 ( -2.087 2.370 0.113) 3.159 29.246 ( 1.634 -9.102 -0.899) 9.291 29.371 ( 4.984 -0.736 -1.959) 5.406 29.616 ( 2.396 0.158 0.397) 2.434 29.887 ( -0.867 -0.904 8.446) 8.538 30.038 ( 3.898 2.029 -1.310) 4.586 30.189 ( 4.828 -2.460 -2.746) 6.075 30.401 ( 5.607 -1.651 -0.116) 5.846 30.576 ( 5.569 5.743 -2.370) 8.344 31.217 ( 5.598 -0.695 -2.481) 6.162 31.344 ( -6.009 4.907 1.643) 7.931 31.711 ( -4.718 -4.427 -1.277) 6.594 32.073 ( -7.087 8.651 2.333) 11.424 32.626 ( -5.398 -8.932 3.122) 10.893 33.161 ( -3.303 3.214 -1.186) 4.759 34.461 ( 0.850 -4.563 -1.142) 4.780 34.760 ( -1.137 3.593 0.756) 3.843 49.683 ( -1.651 -0.688 -0.422) 1.838 50.135 ( 12.476 1.066 -5.827) 13.811 ======================= Grid point 39 (38/105) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -0.000 -0.063 -1.635) 1.637 3.124 ( -0.000 -90.163 -31.182) 95.403 4.031 ( -0.000 -9.358 -84.677) 85.192 5.565 ( -0.000 -0.835 -104.211) 104.214 6.627 ( -0.000 -7.034 -5.056) 8.662 6.894 ( -0.000 -2.944 -15.552) 15.828 7.371 ( 0.000 22.395 -1.218) 22.428 7.932 ( 0.000 12.810 47.384) 49.085 8.175 ( 0.000 -1.173 22.845) 22.875 8.321 ( -0.000 -14.100 7.454) 15.949 9.795 ( 0.000 29.626 2.426) 29.725 10.792 ( -0.000 -20.029 -8.140) 21.620 11.275 ( 0.000 3.592 -17.068) 17.442 11.718 ( 0.000 -3.609 70.156) 70.249 11.975 ( -0.000 -14.175 2.038) 14.321 12.044 ( -0.000 -5.469 -0.033) 5.469 12.516 ( 0.000 7.915 -23.615) 24.906 12.682 ( 0.000 2.212 -6.895) 7.241 13.075 ( 0.000 22.447 -4.176) 22.832 13.302 ( 0.000 10.030 -6.402) 11.899 13.701 ( 0.000 9.534 5.902) 11.213 13.962 ( 0.000 21.666 33.778) 40.129 14.132 ( 0.000 -1.411 33.283) 33.313 14.585 ( 0.000 11.184 -5.486) 12.457 15.265 ( -0.000 -27.771 17.259) 32.698 15.655 ( 0.000 2.570 18.565) 18.742 16.617 ( -0.000 -12.428 6.953) 14.241 16.836 ( -0.000 -1.820 -4.282) 4.653 16.885 ( -0.000 -4.741 -4.659) 6.647 16.968 ( -0.000 -14.177 -4.108) 14.760 17.244 ( 0.000 13.215 3.765) 13.741 17.555 ( 0.000 12.421 -14.077) 18.773 17.724 ( -0.000 -11.566 5.827) 12.951 17.879 ( 0.000 3.547 -3.689) 5.117 18.173 ( -0.000 -4.781 -13.621) 14.436 18.350 ( -0.000 -25.913 -5.050) 26.401 18.530 ( -0.000 -17.476 -2.966) 17.726 18.573 ( 0.000 15.844 -13.005) 20.498 19.132 ( -0.000 -4.313 13.325) 14.005 19.153 ( -0.000 -2.885 -17.746) 17.979 19.406 ( 0.000 19.794 -6.123) 20.719 19.678 ( 0.000 1.872 14.138) 14.262 20.028 ( 0.000 0.620 6.573) 6.602 20.361 ( -0.000 -4.332 -3.013) 5.276 20.690 ( 0.000 4.078 7.806) 8.807 20.718 ( -0.000 -11.756 -13.728) 18.074 21.018 ( -0.000 -2.250 -5.558) 5.996 21.492 ( 0.000 0.596 3.133) 3.190 21.597 ( 0.000 34.773 -4.267) 35.034 21.807 ( 0.000 7.694 -11.017) 13.438 22.003 ( -0.000 -4.160 -2.593) 4.902 22.024 ( 0.000 3.330 -9.279) 9.859 22.214 ( -0.000 -1.231 2.860) 3.113 22.299 ( 0.000 7.906 4.385) 9.040 22.390 ( -0.000 -6.169 7.977) 10.084 22.450 ( -0.000 -5.940 2.491) 6.441 22.915 ( -0.000 -0.662 -7.214) 7.244 23.008 ( 0.000 -0.717 5.033) 5.083 23.054 ( -0.000 -7.823 -6.839) 10.391 23.435 ( 0.000 3.659 -7.223) 8.097 23.544 ( 0.000 0.863 1.421) 1.663 23.557 ( -0.000 0.335 -28.110) 28.112 23.724 ( -0.000 -6.784 -0.369) 6.794 24.071 ( -0.000 -4.398 4.354) 6.189 24.369 ( -0.000 -1.918 -1.127) 2.225 24.383 ( 0.000 9.320 22.430) 24.290 24.617 ( 0.000 -3.051 22.187) 22.395 25.112 ( 0.000 -0.170 14.002) 14.003 25.129 ( -0.000 -2.393 0.633) 2.475 25.744 ( 0.000 8.172 5.320) 9.751 25.830 ( 0.000 3.034 1.894) 3.577 25.960 ( -0.000 -3.371 3.675) 4.986 26.771 ( 0.000 2.604 -13.398) 13.649 26.837 ( -0.000 -1.818 -3.068) 3.566 28.055 ( -0.000 -1.981 -1.227) 2.330 28.341 ( 0.000 6.002 -1.779) 6.260 28.470 ( -0.000 -0.353 1.900) 1.932 28.783 ( -0.000 -6.495 -2.100) 6.826 29.497 ( -0.000 -7.775 -2.254) 8.095 29.612 ( 0.000 0.052 1.742) 1.743 29.722 ( -0.000 -0.111 0.498) 0.510 29.772 ( -0.000 0.487 -6.223) 6.242 29.989 ( -0.000 -0.623 2.333) 2.414 30.175 ( -0.000 -0.119 -1.974) 1.978 30.893 ( 0.000 7.043 4.118) 8.158 30.908 ( 0.000 4.119 3.423) 5.356 31.150 ( -0.000 -5.293 -4.699) 7.077 31.283 ( -0.000 -3.380 -0.117) 3.382 31.570 ( 0.000 2.380 -4.756) 5.318 31.858 ( 0.000 6.894 5.846) 9.039 32.532 ( 0.000 2.713 -7.806) 8.264 32.741 ( -0.000 -4.085 6.555) 7.724 34.422 ( -0.000 -3.458 -0.770) 3.543 34.819 ( 0.000 3.909 1.785) 4.297 49.656 ( -0.000 -4.315 0.947) 4.417 50.225 ( -0.000 -13.932 -2.927) 14.236 ======================= Grid point 40 (39/105) ======================= q-point: ( 0.13 0.37 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.029 ( 17.347 18.547 4.338) 25.762 5.272 ( 26.659 16.143 2.091) 31.235 5.868 ( -27.397 2.533 1.907) 27.580 6.851 ( 1.935 -7.136 2.361) 7.761 7.152 ( 9.866 7.640 2.471) 12.721 7.313 ( 3.435 -1.802 -3.114) 4.974 7.606 ( -4.411 0.085 4.284) 6.150 7.881 ( 7.573 -4.265 10.708) 13.791 8.833 ( 10.472 -10.382 -12.560) 19.370 9.393 ( -13.126 -25.657 -4.974) 29.246 9.894 ( -6.066 -2.519 -2.216) 6.932 10.278 ( -4.156 -23.544 -0.310) 23.910 10.785 ( -8.894 2.829 -10.604) 14.126 11.112 ( -12.111 -5.382 12.527) 18.236 11.870 ( 10.434 18.867 1.632) 21.622 12.308 ( 12.424 46.787 -6.354) 48.824 12.654 ( 20.393 15.125 14.640) 29.308 13.133 ( 0.804 2.355 1.812) 3.078 13.543 ( -4.242 24.069 3.680) 24.716 13.868 ( 22.770 -40.481 -11.928) 47.953 14.463 ( 21.877 -17.142 0.685) 27.801 14.570 ( 3.366 -9.261 -1.471) 9.963 15.050 ( 12.750 -19.725 -5.635) 24.153 15.393 ( 4.958 -11.853 -8.623) 15.474 15.824 ( -7.646 -6.418 -4.938) 11.137 15.890 ( -3.449 8.320 4.187) 9.933 16.190 ( -10.376 2.072 6.206) 12.266 16.385 ( 1.525 3.064 4.015) 5.276 16.921 ( -3.095 -10.791 -1.151) 11.285 17.071 ( 11.160 24.473 0.825) 26.910 17.229 ( -1.021 5.673 4.721) 7.451 17.400 ( -5.840 4.464 10.032) 12.436 17.508 ( -3.732 13.427 -2.393) 14.140 17.669 ( -12.664 1.910 0.133) 12.808 17.976 ( -3.007 4.344 -3.421) 6.294 18.130 ( -2.439 -11.743 -14.685) 18.961 18.225 ( -9.143 -6.039 7.617) 13.345 18.544 ( -2.183 -16.992 -0.381) 17.136 18.851 ( -4.629 32.924 0.542) 33.253 19.055 ( 6.083 2.084 4.694) 7.961 19.274 ( -3.649 -9.179 0.675) 9.901 19.305 ( 4.244 -6.290 -3.481) 8.348 19.685 ( 3.435 8.976 -1.901) 9.797 19.922 ( -13.930 6.021 -0.436) 15.182 20.389 ( 1.797 -0.296 3.223) 3.702 20.517 ( -10.002 0.987 -6.267) 11.844 20.881 ( 2.683 15.131 0.392) 15.372 20.975 ( 14.504 -2.521 0.102) 14.722 21.528 ( -10.018 -4.463 -4.552) 11.875 21.825 ( 1.122 -4.911 1.288) 5.200 21.898 ( -0.094 -6.771 1.045) 6.852 22.012 ( -0.256 -26.895 0.063) 26.896 22.089 ( -10.327 2.067 5.883) 12.064 22.213 ( -3.262 -0.145 -2.291) 3.989 22.481 ( 0.845 -7.586 5.657) 9.501 22.517 ( 3.170 -5.612 -2.439) 6.891 22.748 ( 3.896 4.094 -3.617) 6.710 22.842 ( 0.472 1.557 -0.922) 1.869 22.895 ( 2.750 -0.563 2.503) 3.761 23.026 ( -3.336 -1.431 -0.973) 3.758 23.622 ( 2.757 2.260 0.474) 3.596 23.672 ( 0.875 -0.897 5.150) 5.301 23.720 ( -2.344 4.431 -2.757) 5.721 23.799 ( -6.817 1.654 0.758) 7.055 23.970 ( 0.076 9.909 0.539) 9.924 24.042 ( -4.336 16.783 -2.014) 17.451 24.581 ( 4.925 -2.125 0.436) 5.382 24.693 ( -4.587 -7.577 -0.331) 8.863 24.922 ( -1.332 3.554 -3.472) 5.144 25.520 ( -0.164 -9.269 0.583) 9.288 26.370 ( 3.546 -0.387 0.540) 3.608 26.389 ( 2.159 0.054 -0.360) 2.190 26.795 ( 0.810 0.359 1.883) 2.081 26.803 ( 0.824 0.176 -1.958) 2.131 28.447 ( 1.048 0.273 -1.844) 2.139 28.455 ( 0.326 0.079 1.678) 1.711 28.923 ( 6.895 -0.629 1.713) 7.132 29.042 ( 1.032 -1.016 -0.402) 1.503 29.172 ( -4.088 6.587 -0.354) 7.761 29.274 ( -2.691 1.277 -0.494) 3.020 29.607 ( -0.605 0.762 -0.315) 1.022 29.908 ( -0.796 -6.038 1.835) 6.360 30.030 ( -1.433 3.916 0.096) 4.171 30.154 ( 1.116 2.302 -2.822) 3.809 30.282 ( -3.277 1.350 1.897) 4.020 30.455 ( -2.355 -3.695 0.385) 4.398 31.103 ( -1.494 2.238 1.014) 2.876 31.454 ( 2.306 -6.992 -0.454) 7.377 31.760 ( 1.936 3.684 0.369) 4.178 32.200 ( 1.905 -9.828 -0.982) 10.059 32.738 ( 1.081 9.951 -1.202) 10.081 33.192 ( 1.436 -3.565 0.386) 3.862 34.439 ( 0.017 4.711 0.303) 4.721 34.785 ( 0.109 -3.830 -0.438) 3.857 49.731 ( 3.371 1.217 -0.401) 3.607 49.863 ( -5.954 0.251 2.388) 6.420 ======================= Grid point 41 (40/105) ======================= q-point: ( 0.13 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -28.638 92.624 -17.163) 98.458 3.897 ( -56.701 -3.098 -3.279) 56.880 4.125 ( -56.483 -4.057 -17.121) 59.160 6.295 ( -85.396 3.138 -35.188) 92.415 6.621 ( -9.921 4.627 -10.081) 14.882 7.006 ( -9.258 0.502 -1.221) 9.351 7.170 ( -5.115 -8.983 -11.164) 15.215 7.634 ( 10.322 9.716 -4.713) 14.939 8.006 ( 10.463 3.283 -7.818) 13.468 9.761 ( 6.080 -19.378 5.359) 21.005 9.881 ( -8.094 -15.156 30.205) 34.750 10.642 ( -7.716 6.715 9.060) 13.665 10.878 ( 2.589 -10.580 -8.738) 13.964 11.355 ( 7.985 6.592 -7.722) 12.917 12.111 ( 32.035 -4.536 7.453) 33.202 12.340 ( -4.706 17.013 -6.068) 18.666 12.520 ( 9.340 4.935 -2.464) 10.847 12.674 ( -2.849 15.215 6.548) 16.807 13.285 ( -21.143 -2.895 9.148) 23.218 13.394 ( -15.470 -12.025 1.319) 19.638 13.902 ( -17.972 0.956 -4.784) 18.622 14.364 ( 0.884 -36.405 12.366) 38.458 14.702 ( -1.067 -4.250 9.584) 10.538 14.910 ( -1.895 -7.268 5.949) 9.582 15.828 ( -4.463 -18.336 14.237) 23.639 16.236 ( 4.636 4.724 3.627) 7.548 16.608 ( -0.313 7.403 8.400) 11.201 16.698 ( 4.928 10.149 -4.436) 12.123 16.896 ( -11.251 11.211 5.104) 16.683 17.121 ( -6.420 9.284 1.516) 11.389 17.217 ( 3.316 -10.616 5.106) 12.238 17.486 ( -8.455 11.950 8.260) 16.809 17.556 ( 5.620 6.398 -4.600) 9.679 17.697 ( 3.827 -3.383 -8.233) 9.688 18.023 ( -1.308 11.350 -9.591) 14.917 18.121 ( 12.445 23.033 -7.437) 27.216 18.506 ( -9.822 -15.827 4.338) 19.125 18.711 ( -11.646 -2.060 3.443) 12.317 19.133 ( -5.875 3.770 -8.188) 10.760 19.242 ( 9.168 -3.384 -5.038) 10.995 19.353 ( 5.266 -7.001 8.617) 12.289 19.453 ( 8.894 -1.019 -8.659) 12.454 19.751 ( 3.154 -2.176 -3.073) 4.911 20.094 ( 9.100 11.951 -5.229) 15.906 20.530 ( -1.236 -1.339 -13.887) 14.006 20.686 ( 4.195 2.517 -0.619) 4.931 20.798 ( 11.646 -3.353 13.114) 17.857 21.231 ( 9.454 9.624 3.401) 13.913 21.474 ( 3.060 -27.262 -8.877) 28.834 21.638 ( -1.852 -7.288 -1.219) 7.617 21.812 ( 0.817 -6.247 -7.044) 9.450 21.869 ( 0.421 -3.395 -3.632) 4.989 21.965 ( 4.860 -4.351 -15.164) 16.507 22.321 ( 4.019 3.488 2.562) 5.906 22.425 ( 0.986 0.214 2.324) 2.534 22.562 ( 3.879 5.387 2.464) 7.081 22.765 ( 0.066 4.937 1.519) 5.166 22.926 ( -5.313 -2.792 5.745) 8.309 22.982 ( 2.985 1.964 2.162) 4.176 23.354 ( -6.555 1.623 4.640) 8.194 23.597 ( 0.981 -1.109 3.276) 3.596 23.691 ( 9.715 -3.326 -5.808) 11.797 23.802 ( -4.057 7.391 -4.140) 9.393 23.896 ( -1.001 -4.148 1.117) 4.411 24.208 ( -1.482 12.326 2.196) 12.607 24.440 ( 16.364 -0.752 6.583) 17.655 24.678 ( 18.078 0.447 6.757) 19.305 24.948 ( 5.156 -3.365 -2.579) 6.675 25.245 ( 6.510 -0.872 1.264) 6.689 25.663 ( 4.979 -8.045 4.987) 10.695 26.128 ( -6.797 -1.313 4.326) 8.163 26.319 ( -5.127 0.928 5.665) 7.697 26.370 ( -5.671 -0.466 -7.788) 9.645 26.755 ( -2.048 0.745 -6.612) 6.962 28.190 ( -4.081 1.398 -3.919) 5.828 28.515 ( -8.322 1.861 -0.811) 8.566 28.630 ( -4.962 -5.343 7.621) 10.548 28.856 ( -5.236 2.149 -1.250) 5.796 29.436 ( -0.076 7.674 -1.510) 7.822 29.546 ( 4.192 1.017 1.315) 4.509 29.628 ( 3.291 1.463 -2.824) 4.577 29.698 ( 1.503 -0.157 -0.921) 1.770 29.952 ( 1.255 -0.515 -1.031) 1.704 30.165 ( 0.583 3.062 -1.849) 3.625 30.607 ( 10.018 -1.644 1.610) 10.279 30.710 ( 7.523 -3.203 0.550) 8.195 31.101 ( 3.686 0.131 -4.549) 5.856 31.344 ( -3.543 -0.107 1.306) 3.777 31.494 ( -8.709 3.628 -1.296) 9.524 32.142 ( -5.611 -7.662 2.815) 9.905 32.844 ( -0.215 3.335 3.497) 4.837 32.957 ( -9.708 -7.868 0.689) 12.514 34.414 ( -0.190 4.111 -0.125) 4.117 34.842 ( 0.345 -4.080 0.965) 4.206 49.642 ( -0.223 1.466 -0.372) 1.528 49.995 ( 8.598 16.679 -0.078) 18.765 ======================= Grid point 43 (41/105) ======================= q-point: ( 0.52 -0.52 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.188 ( -34.375 -4.621 -0.000) 34.684 5.839 ( 21.563 4.271 0.000) 21.981 6.118 ( 10.290 -38.916 -0.000) 40.254 6.784 ( 3.781 34.309 0.000) 34.517 6.879 ( -31.542 -14.130 -0.000) 34.562 7.283 ( -5.659 -1.696 -0.000) 5.908 7.541 ( 10.187 4.728 0.000) 11.231 7.576 ( -1.484 32.432 0.000) 32.466 8.765 ( -15.636 -1.593 -0.000) 15.717 9.325 ( 30.417 -0.415 0.000) 30.420 9.629 ( -6.497 2.421 -0.000) 6.934 9.771 ( -1.340 7.141 0.000) 7.266 11.349 ( -32.851 15.469 -0.000) 36.311 11.466 ( -2.906 -14.448 -0.000) 14.738 12.229 ( 18.982 -35.659 0.000) 40.396 12.268 ( -13.853 3.873 -0.000) 14.384 12.589 ( 15.332 -6.865 0.000) 16.799 12.638 ( -9.110 10.884 -0.000) 14.194 13.610 ( -18.096 -19.093 -0.000) 26.306 13.956 ( -4.483 -6.493 -0.000) 7.891 14.103 ( 7.091 -9.612 0.000) 11.945 14.211 ( -1.307 23.082 0.000) 23.119 14.742 ( -12.121 8.662 -0.000) 14.898 14.856 ( 9.992 23.517 0.000) 25.552 15.334 ( -15.562 -17.846 -0.000) 23.678 16.072 ( 13.459 21.128 0.000) 25.051 16.339 ( 13.341 -7.706 0.000) 15.407 16.649 ( 4.258 25.685 0.000) 26.035 17.073 ( -3.987 -2.081 -0.000) 4.497 17.187 ( 7.096 -4.221 0.000) 8.257 17.553 ( 5.114 -15.620 -0.000) 16.436 17.695 ( 1.048 -2.948 -0.000) 3.128 18.067 ( -10.100 -5.724 -0.000) 11.610 18.087 ( 8.295 -7.500 0.000) 11.183 18.254 ( 0.070 2.087 0.000) 2.088 18.359 ( -11.324 13.769 -0.000) 17.827 18.542 ( 8.556 -17.707 0.000) 19.666 18.728 ( -9.834 6.141 -0.000) 11.594 18.929 ( -8.921 4.367 -0.000) 9.933 19.059 ( 5.276 14.256 0.000) 15.201 19.308 ( -6.924 -1.968 -0.000) 7.198 19.448 ( 2.929 -52.021 -0.000) 52.103 19.561 ( 11.599 -3.811 0.000) 12.209 20.017 ( -21.452 -1.698 -0.000) 21.519 20.031 ( -2.377 14.183 0.000) 14.381 20.227 ( 3.088 -5.478 0.000) 6.289 20.368 ( 7.474 -2.391 0.000) 7.847 20.736 ( 5.584 32.478 0.000) 32.954 21.205 ( 0.722 -15.562 -0.000) 15.579 21.514 ( 1.476 12.167 0.000) 12.256 21.718 ( 6.709 -3.799 0.000) 7.710 21.798 ( -2.912 6.332 -0.000) 6.970 22.154 ( -5.050 7.455 -0.000) 9.004 22.174 ( 6.057 -1.983 0.000) 6.373 22.498 ( -1.535 0.277 -0.000) 1.560 22.543 ( 2.608 1.081 0.000) 2.823 22.902 ( 4.212 1.403 0.000) 4.440 22.923 ( 3.903 0.412 0.000) 3.925 22.965 ( -2.407 3.290 -0.000) 4.076 22.980 ( 7.737 -5.312 0.000) 9.385 23.578 ( -3.464 -0.355 -0.000) 3.482 23.721 ( 9.770 1.089 0.000) 9.830 23.942 ( -2.853 2.173 -0.000) 3.587 23.983 ( 6.681 -2.817 0.000) 7.251 24.143 ( -8.770 2.206 -0.000) 9.043 24.282 ( 10.574 -3.756 0.000) 11.221 24.330 ( -3.832 -11.591 -0.000) 12.208 24.538 ( -4.179 9.059 -0.000) 9.976 25.012 ( 3.519 -17.177 -0.000) 17.534 25.299 ( 0.155 14.586 0.000) 14.586 26.391 ( -5.971 -1.094 -0.000) 6.070 26.476 ( 1.998 0.129 0.000) 2.002 26.650 ( -6.002 -0.648 -0.000) 6.037 26.737 ( 1.785 0.252 0.000) 1.802 28.450 ( -4.593 2.991 -0.000) 5.482 28.492 ( 5.154 -2.797 0.000) 5.864 28.978 ( -6.003 2.697 -0.000) 6.581 29.001 ( -1.659 0.217 -0.000) 1.673 29.426 ( -0.940 -3.153 -0.000) 3.290 29.435 ( -0.630 -4.066 -0.000) 4.115 29.552 ( 2.592 0.351 0.000) 2.616 29.680 ( 9.145 6.969 0.000) 11.498 29.928 ( -6.803 -5.478 -0.000) 8.734 30.116 ( 7.144 0.315 0.000) 7.151 30.393 ( 1.535 -3.539 0.000) 3.857 30.475 ( 1.293 5.526 0.000) 5.676 31.221 ( 4.443 -4.768 0.000) 6.518 31.271 ( -4.320 8.503 -0.000) 9.538 31.904 ( 0.686 -7.982 -0.000) 8.011 32.003 ( -5.275 8.777 -0.000) 10.240 32.873 ( -5.019 -10.124 -0.000) 11.299 33.097 ( 0.988 7.372 0.000) 7.438 34.579 ( 1.203 -7.665 -0.000) 7.759 34.693 ( -1.569 6.693 0.000) 6.874 49.753 ( -4.278 -1.385 -0.000) 4.497 49.944 ( 11.151 3.090 0.000) 11.571 ======================= Grid point 44 (42/105) ======================= q-point: ( 0.52 -0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -32.680 -1.688 0.155) 32.723 4.790 ( -20.208 12.840 73.369) 77.176 5.604 ( -9.805 -18.386 -15.362) 25.888 6.085 ( -39.206 12.378 56.274) 69.693 6.661 ( -0.876 0.995 -7.583) 7.698 6.828 ( -2.436 4.365 -2.456) 5.569 7.573 ( -14.003 -4.641 -45.922) 48.233 7.901 ( 13.142 22.104 3.677) 25.977 8.232 ( -7.779 -4.574 12.364) 15.307 8.377 ( -14.708 22.628 2.864) 27.140 8.861 ( -4.688 -6.608 4.064) 9.064 11.113 ( 10.502 -5.287 -22.342) 25.247 11.372 ( 13.680 -3.988 -16.350) 21.688 11.563 ( 16.618 7.631 -5.372) 19.059 11.975 ( 3.720 11.198 14.161) 18.433 12.112 ( -6.524 -18.393 -6.828) 20.676 12.480 ( -3.195 -15.338 -8.117) 17.645 12.520 ( -10.989 -7.655 1.426) 13.468 12.798 ( 5.914 -12.905 12.741) 19.075 13.009 ( -10.629 12.672 7.449) 18.140 13.395 ( -15.346 25.498 -4.837) 30.150 13.732 ( -16.430 -1.397 -4.247) 17.027 14.179 ( -3.132 3.256 -28.453) 28.809 14.806 ( -2.749 14.338 -7.910) 16.604 15.240 ( 2.138 -21.199 2.025) 21.402 15.739 ( -10.238 -29.162 -4.532) 31.238 16.626 ( 4.127 -5.465 -1.097) 6.935 16.887 ( 5.544 10.057 0.714) 11.506 16.972 ( -4.259 0.132 7.023) 8.214 17.125 ( -2.727 11.376 -10.011) 15.397 17.367 ( -5.659 -5.005 0.825) 7.600 17.489 ( 9.170 8.327 -11.199) 16.699 17.790 ( -3.958 -3.310 0.980) 5.252 18.093 ( 9.367 7.500 3.319) 12.450 18.246 ( 3.585 -9.325 -0.367) 9.997 18.401 ( 2.175 12.315 4.894) 13.429 18.582 ( -4.844 7.105 -1.789) 8.783 18.803 ( 9.847 6.221 1.764) 11.781 19.020 ( -7.341 7.305 7.152) 12.586 19.196 ( -9.618 -7.491 11.697) 16.895 19.551 ( 1.024 -52.604 0.673) 52.619 19.657 ( 11.032 6.144 -3.051) 12.990 19.929 ( 0.241 -1.010 5.776) 5.869 20.210 ( 3.508 -0.955 3.076) 4.762 20.433 ( 4.142 -9.440 -7.483) 12.739 20.750 ( -0.389 26.736 -1.482) 26.780 20.897 ( 11.933 4.070 5.817) 13.885 21.252 ( 4.041 -8.610 10.652) 14.280 21.342 ( -1.308 17.082 1.921) 17.239 21.587 ( -2.270 -6.310 14.168) 15.675 21.941 ( 0.894 0.436 6.702) 6.776 22.021 ( 5.591 0.950 1.781) 5.944 22.072 ( -2.249 -0.289 1.031) 2.491 22.304 ( 0.173 -1.845 0.387) 1.893 22.481 ( 6.947 2.634 -8.407) 11.220 22.645 ( -0.153 -2.421 6.456) 6.897 22.726 ( 0.232 -2.032 -4.559) 4.997 23.131 ( 2.708 5.183 -0.818) 5.905 23.227 ( 10.178 5.277 6.310) 13.086 23.410 ( -0.160 -2.759 -0.252) 2.775 23.494 ( -3.519 2.451 10.902) 11.715 23.635 ( -1.325 -5.849 -1.497) 6.181 23.783 ( 8.963 -2.411 -2.886) 9.720 24.029 ( -1.459 -5.300 -2.936) 6.232 24.043 ( -10.989 4.672 3.933) 12.572 24.508 ( 5.563 0.411 -14.583) 15.613 24.683 ( 2.687 -2.888 -15.900) 16.382 25.060 ( 4.077 -1.228 -7.232) 8.392 25.220 ( 7.918 -9.077 -3.616) 12.577 25.355 ( -0.184 8.490 2.824) 8.950 25.841 ( -7.649 -0.595 -0.872) 7.722 26.123 ( -6.765 0.032 -3.857) 7.787 26.585 ( 3.645 -2.611 13.741) 14.454 26.904 ( 2.471 2.114 2.181) 3.916 28.224 ( -3.962 2.626 -0.385) 4.769 28.269 ( -6.007 -0.667 -2.215) 6.437 28.560 ( -1.845 3.830 -2.555) 4.960 28.902 ( -1.366 0.582 1.998) 2.489 29.501 ( 1.349 -9.642 4.556) 10.750 29.558 ( 3.755 -0.222 -1.449) 4.031 29.717 ( 1.697 0.127 -0.639) 1.818 29.880 ( -2.923 -5.706 7.277) 9.699 30.068 ( 2.114 10.524 -8.095) 13.444 30.296 ( -1.190 6.119 -5.028) 8.009 30.609 ( 5.391 -0.550 1.829) 5.719 30.739 ( 5.959 -0.437 -0.464) 5.993 31.259 ( 3.364 -1.262 2.090) 4.157 31.436 ( 4.695 2.156 0.744) 5.219 31.568 ( -7.323 -2.073 -0.580) 7.633 31.634 ( -5.573 1.202 0.941) 5.779 32.489 ( -6.947 -5.350 6.798) 11.095 32.919 ( -3.786 3.316 -5.516) 7.466 34.561 ( -0.378 -1.955 -1.345) 2.403 34.670 ( 0.404 1.599 0.584) 1.750 49.679 ( 0.199 -1.356 0.837) 1.606 50.545 ( 8.337 4.696 -10.699) 14.354 ======================= Grid point 45 (43/105) ======================= q-point: (-0.48 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 43.011 4.559 4.354) 43.471 5.125 ( 15.340 -74.512 -12.128) 77.035 5.212 ( 41.730 -10.785 -59.376) 73.371 6.447 ( 8.676 10.471 -0.819) 13.623 6.832 ( -0.412 0.676 0.084) 0.796 7.021 ( 4.147 0.300 2.069) 4.644 7.481 ( -9.409 1.884 -3.814) 10.326 8.106 ( 17.692 2.328 -13.953) 22.652 8.254 ( 22.614 2.087 -0.777) 22.724 8.800 ( 38.078 -1.783 8.458) 39.047 9.325 ( 10.430 21.495 -3.464) 24.142 10.622 ( -21.248 -5.717 -0.584) 22.012 10.975 ( -15.352 7.131 -6.907) 18.283 11.612 ( -9.804 -9.689 -4.935) 14.641 11.652 ( -25.380 13.045 18.691) 34.113 12.397 ( 13.944 8.362 33.888) 37.587 12.822 ( 8.687 -6.009 -10.122) 14.630 12.925 ( 15.472 -26.374 -4.834) 30.957 13.004 ( 4.683 -7.470 11.796) 14.727 13.137 ( 15.166 24.999 -4.672) 29.610 13.443 ( 6.527 9.327 4.484) 12.235 13.955 ( 16.776 11.960 -1.934) 20.693 14.333 ( 18.304 1.140 16.515) 24.679 14.940 ( 13.645 -2.007 -1.927) 13.926 15.323 ( -5.349 4.979 9.394) 11.901 16.158 ( 4.514 -0.802 11.153) 12.059 16.578 ( -9.303 -3.096 3.359) 10.364 16.816 ( 1.259 9.534 -5.702) 11.180 16.863 ( -4.389 -2.500 5.506) 7.472 17.131 ( 7.055 -3.389 4.530) 9.043 17.296 ( 1.456 -16.041 -5.588) 17.048 17.402 ( 4.038 -1.127 2.649) 4.959 17.870 ( -4.822 -4.899 -6.054) 9.160 17.969 ( 0.423 -9.961 -4.979) 11.144 18.075 ( -0.032 14.755 -1.467) 14.827 18.295 ( -3.706 -6.516 0.883) 7.548 18.502 ( -5.675 1.578 -0.638) 5.925 18.713 ( -4.875 6.040 5.505) 9.516 19.049 ( -13.526 4.248 2.126) 14.336 19.109 ( -7.795 -5.173 -6.316) 11.288 19.492 ( 4.099 -3.424 -13.714) 14.717 19.861 ( 0.672 -19.515 -1.738) 19.604 20.018 ( 6.999 -5.184 -5.135) 10.110 20.139 ( -12.219 -3.683 2.917) 13.091 20.379 ( -15.531 12.019 10.606) 22.319 20.615 ( 2.284 11.092 -1.770) 11.462 20.671 ( -6.841 10.696 -2.413) 12.924 21.183 ( -3.763 4.263 -8.818) 10.492 21.340 ( 0.652 0.794 -1.377) 1.718 21.654 ( -6.703 6.541 -5.640) 10.932 21.881 ( -0.011 0.133 -7.323) 7.324 21.922 ( -2.794 1.184 -3.416) 4.569 22.128 ( 4.239 0.451 -0.909) 4.358 22.323 ( -1.922 -1.720 4.337) 5.046 22.375 ( -2.598 2.727 -3.372) 5.056 22.640 ( -8.135 1.719 -8.189) 11.670 22.747 ( 5.696 -3.362 5.960) 8.904 22.901 ( -7.846 -3.598 -2.290) 8.930 23.019 ( -3.200 -5.176 1.299) 6.222 23.290 ( -13.690 0.746 7.579) 15.666 23.481 ( 5.088 -2.605 0.990) 5.801 23.664 ( -4.455 2.724 1.474) 5.426 23.852 ( 1.522 2.822 -3.012) 4.399 24.104 ( 3.735 -8.389 -5.501) 10.704 24.169 ( 0.837 6.947 7.064) 9.943 24.312 ( -4.834 -4.019 4.306) 7.620 24.624 ( -5.804 -3.105 5.101) 8.327 24.908 ( -10.621 1.032 0.658) 10.691 25.166 ( -0.161 -2.049 8.568) 8.811 25.373 ( -4.296 10.719 1.290) 11.620 26.035 ( 9.548 1.079 1.663) 9.752 26.260 ( 6.226 -0.846 1.962) 6.583 26.566 ( 0.215 0.805 -11.017) 11.049 26.846 ( -0.335 -0.856 0.053) 0.921 28.290 ( 5.163 -0.872 -2.823) 5.948 28.424 ( 5.495 2.105 4.693) 7.526 28.569 ( 5.783 -2.139 -0.241) 6.170 28.925 ( 2.951 -1.386 -1.424) 3.557 29.467 ( -4.730 -0.802 2.756) 5.533 29.558 ( -3.800 0.085 0.298) 3.812 29.714 ( -0.869 3.865 -4.872) 6.279 29.772 ( -3.991 -9.464 1.618) 10.398 30.031 ( 2.036 0.617 -6.023) 6.387 30.228 ( 2.127 -4.826 3.271) 6.206 30.517 ( -9.231 4.765 -0.388) 10.395 30.627 ( -7.442 1.964 2.284) 8.029 31.198 ( -2.575 -0.544 -3.377) 4.282 31.321 ( -2.820 -0.227 0.931) 2.978 31.619 ( 8.071 -6.468 -1.990) 10.533 31.901 ( 6.237 9.843 3.543) 12.180 32.775 ( 8.471 4.217 -0.270) 9.467 32.923 ( 4.364 -2.628 1.103) 5.212 34.519 ( 0.740 -5.896 -0.608) 5.973 34.718 ( -0.490 5.893 1.476) 6.095 49.680 ( -0.098 -0.747 -0.749) 1.062 50.211 ( -10.473 -8.729 2.425) 13.847 ======================= Grid point 46 (44/105) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( -27.622 0.000 -30.215) 40.938 4.442 ( -41.044 0.000 5.074) 41.356 6.385 ( 20.802 -0.000 -8.403) 22.435 6.761 ( -11.839 0.000 4.614) 12.706 6.856 ( -8.150 0.000 -12.728) 15.114 7.363 ( 1.690 -0.000 7.853) 8.033 7.430 ( -20.950 0.000 -28.062) 35.019 7.880 ( 7.111 -0.000 -2.583) 7.565 8.619 ( -20.832 0.000 27.188) 34.251 9.827 ( -3.392 0.000 -1.432) 3.682 10.440 ( 44.601 -0.000 17.317) 47.845 10.694 ( 2.510 0.000 -7.127) 7.556 10.890 ( -20.254 0.000 2.439) 20.401 11.236 ( -14.000 0.000 -28.649) 31.886 11.300 ( -24.721 0.000 38.866) 46.062 11.588 ( 24.853 -0.000 -27.020) 36.712 12.166 ( -5.386 0.000 -5.215) 7.497 13.023 ( -7.355 0.000 -7.253) 10.330 13.218 ( -48.971 0.000 31.326) 58.134 13.480 ( 4.163 -0.000 -3.034) 5.151 14.389 ( -18.783 0.000 3.531) 19.112 14.510 ( -10.786 0.000 -7.614) 13.203 15.133 ( -0.527 -0.000 13.841) 13.851 15.272 ( -12.009 0.000 13.409) 18.000 15.449 ( -33.816 0.000 -16.048) 37.431 16.047 ( -17.490 0.000 5.691) 18.393 16.176 ( -0.110 0.000 -4.028) 4.030 16.505 ( 5.208 -0.000 -2.534) 5.792 16.678 ( 15.184 -0.000 3.522) 15.587 17.026 ( -3.029 0.000 -3.501) 4.629 17.274 ( 1.477 0.000 -5.283) 5.485 17.450 ( 6.702 -0.000 6.912) 9.628 17.563 ( 20.861 -0.000 -17.000) 26.911 17.771 ( 5.727 -0.000 -4.611) 7.352 18.075 ( 2.165 0.000 -8.198) 8.479 18.231 ( 0.347 -0.000 23.252) 23.254 18.546 ( 7.193 -0.000 1.470) 7.342 18.780 ( -2.043 0.000 -16.563) 16.688 18.854 ( 22.402 -0.000 11.841) 25.339 18.906 ( -13.391 0.000 6.907) 15.067 19.377 ( 28.737 -0.000 -18.377) 34.110 19.559 ( 10.033 -0.000 -2.469) 10.332 19.750 ( 13.067 -0.000 12.268) 17.924 20.014 ( 3.617 -0.000 7.916) 8.704 20.305 ( -4.999 0.000 -0.721) 5.051 20.569 ( -22.731 0.000 -2.217) 22.839 20.702 ( 1.395 -0.000 3.862) 4.107 20.838 ( 17.713 -0.000 5.639) 18.589 21.744 ( 7.815 -0.000 5.744) 9.699 21.871 ( 0.870 0.000 -2.309) 2.468 21.941 ( -0.898 0.000 -1.294) 1.575 22.224 ( -2.331 0.000 -1.464) 2.753 22.271 ( 4.223 -0.000 5.974) 7.316 22.346 ( 2.163 0.000 -4.283) 4.798 22.481 ( -7.124 0.000 1.038) 7.199 22.636 ( 13.876 -0.000 -9.623) 16.887 22.751 ( 3.436 -0.000 -4.409) 5.590 22.754 ( -5.289 0.000 4.041) 6.656 22.826 ( -1.680 0.000 -5.036) 5.309 23.242 ( 8.708 -0.000 3.949) 9.562 23.329 ( -8.717 0.000 -3.248) 9.303 23.668 ( -0.784 0.000 -2.944) 3.047 23.710 ( 4.578 -0.000 2.769) 5.350 23.871 ( 6.827 -0.000 -3.046) 7.476 23.980 ( 0.779 -0.000 3.382) 3.470 24.122 ( 13.574 -0.000 1.519) 13.659 24.488 ( -3.053 0.000 -2.441) 3.909 24.879 ( 5.539 -0.000 2.887) 6.246 24.913 ( 0.326 -0.000 6.850) 6.858 25.605 ( -0.375 0.000 -0.500) 0.625 26.273 ( -7.859 0.000 3.670) 8.673 26.276 ( -6.712 0.000 -3.571) 7.603 26.775 ( -0.519 0.000 -5.722) 5.745 26.776 ( -1.605 -0.000 5.512) 5.741 28.410 ( -2.447 0.000 2.776) 3.700 28.438 ( -1.569 0.000 -1.945) 2.499 28.775 ( -8.265 0.000 -2.962) 8.780 28.973 ( -4.490 0.000 -3.813) 5.891 29.209 ( 4.933 -0.000 4.243) 6.506 29.343 ( 4.910 -0.000 0.342) 4.922 29.626 ( 1.743 -0.000 0.347) 1.777 30.000 ( 1.198 0.000 -5.368) 5.500 30.022 ( 0.850 -0.000 0.955) 1.279 30.113 ( 0.709 -0.000 2.223) 2.334 30.372 ( 7.354 -0.000 -0.698) 7.387 30.586 ( 6.784 -0.000 -1.428) 6.933 31.156 ( 5.683 -0.000 -2.668) 6.278 31.424 ( -6.820 0.000 1.140) 6.914 31.651 ( -5.589 0.000 -0.840) 5.652 32.229 ( -6.732 0.000 2.499) 7.181 32.602 ( -1.171 -0.000 4.267) 4.425 33.166 ( -4.637 0.000 -1.009) 4.746 34.395 ( 0.163 0.000 -0.915) 0.929 34.818 ( -0.205 -0.000 1.364) 1.380 49.661 ( -2.398 0.000 -0.650) 2.484 50.004 ( 8.459 -0.000 -6.694) 10.788 ======================= Grid point 47 (45/105) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -0.000 0.000 -49.623) 49.623 1.880 ( -0.000 0.000 -79.710) 79.710 2.626 ( -0.000 0.000 -13.095) 13.095 2.886 ( -0.000 0.000 -136.386) 136.386 6.508 ( -0.000 0.000 -1.212) 1.212 6.816 ( 0.000 -0.000 0.266) 0.266 7.563 ( -0.000 0.000 -6.379) 6.379 8.118 ( 0.000 -0.000 0.539) 0.539 8.301 ( 0.000 -0.000 10.341) 10.341 9.488 ( 0.000 -0.000 60.259) 60.259 10.158 ( 0.000 -0.000 6.321) 6.321 10.445 ( -0.000 0.000 -5.714) 5.714 10.876 ( -0.000 0.000 -20.107) 20.107 11.773 ( -0.000 0.000 -2.392) 2.392 11.822 ( -0.000 0.000 -40.130) 40.130 12.059 ( 0.000 -0.000 3.179) 3.179 12.505 ( -0.000 0.000 -7.665) 7.665 12.926 ( 0.000 -0.000 34.146) 34.146 13.245 ( -0.000 0.000 -2.476) 2.476 13.300 ( -0.000 0.000 -4.508) 4.508 13.808 ( 0.000 -0.000 0.321) 0.321 14.660 ( 0.000 -0.000 13.726) 13.726 14.838 ( 0.000 -0.000 32.279) 32.279 15.297 ( 0.000 -0.000 41.634) 41.634 15.401 ( 0.000 -0.000 17.889) 17.889 16.051 ( 0.000 -0.000 13.269) 13.269 16.621 ( -0.000 0.000 -11.132) 11.132 16.716 ( 0.000 -0.000 8.070) 8.070 16.732 ( 0.000 -0.000 5.700) 5.700 16.819 ( 0.000 -0.000 2.400) 2.400 17.401 ( -0.000 0.000 -9.631) 9.631 17.410 ( -0.000 0.000 -9.945) 9.945 17.500 ( -0.000 0.000 -19.476) 19.476 17.571 ( 0.000 -0.000 10.982) 10.982 18.058 ( -0.000 0.000 -7.680) 7.680 18.097 ( -0.000 0.000 -6.352) 6.352 18.319 ( 0.000 -0.000 1.250) 1.250 18.366 ( -0.000 0.000 -16.564) 16.564 18.865 ( -0.000 0.000 -6.335) 6.335 19.355 ( -0.000 0.000 -18.385) 18.385 19.398 ( 0.000 -0.000 11.613) 11.613 19.811 ( -0.000 0.000 -32.634) 32.634 19.919 ( 0.000 -0.000 2.931) 2.931 20.003 ( -0.000 0.000 -4.402) 4.402 20.702 ( 0.000 -0.000 21.945) 21.945 20.957 ( 0.000 -0.000 14.421) 14.421 21.036 ( 0.000 -0.000 7.798) 7.798 21.487 ( -0.000 0.000 -5.521) 5.521 21.602 ( -0.000 0.000 -8.862) 8.862 21.761 ( -0.000 0.000 -15.699) 15.699 21.862 ( -0.000 0.000 -8.880) 8.880 22.078 ( 0.000 -0.000 4.800) 4.800 22.275 ( 0.000 -0.000 7.112) 7.112 22.380 ( -0.000 0.000 -4.125) 4.125 22.449 ( 0.000 -0.000 3.844) 3.844 22.535 ( 0.000 -0.000 9.842) 9.842 22.730 ( -0.000 0.000 -6.056) 6.056 22.872 ( -0.000 0.000 -5.005) 5.005 22.998 ( -0.000 0.000 -24.587) 24.587 23.154 ( 0.000 -0.000 5.898) 5.898 23.423 ( -0.000 0.000 -7.868) 7.868 23.499 ( 0.000 -0.000 0.251) 0.251 23.632 ( 0.000 -0.000 2.661) 2.661 24.108 ( 0.000 -0.000 5.014) 5.014 24.340 ( 0.000 -0.000 0.621) 0.621 24.908 ( 0.000 -0.000 10.983) 10.983 25.011 ( 0.000 -0.000 24.657) 24.657 25.032 ( -0.000 0.000 -4.328) 4.328 25.475 ( 0.000 -0.000 13.346) 13.346 25.880 ( 0.000 -0.000 1.364) 1.364 25.925 ( 0.000 -0.000 3.691) 3.691 26.105 ( 0.000 -0.000 12.449) 12.449 26.434 ( -0.000 0.000 -20.406) 20.406 26.689 ( -0.000 0.000 -9.427) 9.427 28.031 ( 0.000 -0.000 1.308) 1.308 28.268 ( -0.000 0.000 -6.483) 6.483 28.642 ( -0.000 0.000 -1.415) 1.415 28.662 ( 0.000 -0.000 8.877) 8.877 29.286 ( -0.000 0.000 -9.125) 9.125 29.653 ( 0.000 -0.000 1.760) 1.760 29.697 ( -0.000 0.000 -1.515) 1.515 29.733 ( 0.000 -0.000 0.569) 0.569 30.010 ( 0.000 -0.000 0.088) 0.088 30.144 ( 0.000 -0.000 0.122) 0.122 31.018 ( -0.000 0.000 -2.945) 2.945 31.026 ( 0.000 -0.000 3.421) 3.421 31.075 ( 0.000 -0.000 4.491) 4.491 31.245 ( -0.000 0.000 -0.327) 0.327 31.508 ( -0.000 0.000 -4.555) 4.555 32.043 ( 0.000 -0.000 5.066) 5.066 32.396 ( -0.000 0.000 -6.968) 6.968 32.820 ( 0.000 -0.000 4.309) 4.309 34.382 ( -0.000 0.000 -0.061) 0.061 34.888 ( 0.000 -0.000 0.960) 0.960 49.605 ( 0.000 -0.000 1.785) 1.785 49.865 ( -0.000 0.000 -8.361) 8.361 ======================= Grid point 48 (46/105) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 54.577 -0.000 20.705) 58.372 4.782 ( 32.755 -0.000 -9.620) 34.139 5.349 ( 54.760 -0.000 15.167) 56.822 6.696 ( 8.496 -0.000 1.829) 8.691 6.786 ( -4.036 0.000 -6.805) 7.912 7.193 ( 11.704 -0.000 -0.822) 11.733 7.325 ( -6.173 0.000 3.432) 7.063 7.771 ( -8.143 0.000 3.850) 9.007 8.732 ( 99.391 -0.000 50.260) 111.376 9.698 ( -8.244 0.000 7.464) 11.120 10.296 ( -11.409 0.000 -27.757) 30.010 10.690 ( -23.095 0.000 10.952) 25.560 10.735 ( 8.908 -0.000 -7.725) 11.791 11.290 ( 12.837 -0.000 3.009) 13.185 11.352 ( -43.217 0.000 -20.899) 48.005 12.005 ( -10.767 0.000 2.000) 10.951 12.226 ( -1.650 0.000 -19.164) 19.235 12.655 ( 2.802 -0.000 4.551) 5.344 13.592 ( 2.613 -0.000 -2.457) 3.587 14.024 ( 10.105 -0.000 23.691) 25.756 14.164 ( 43.610 -0.000 -0.722) 43.616 14.748 ( -1.631 0.000 -10.228) 10.357 14.883 ( -8.001 0.000 -2.591) 8.410 15.362 ( 32.215 -0.000 9.421) 33.565 15.839 ( -7.614 0.000 -14.866) 16.702 16.407 ( -5.471 0.000 -7.441) 9.236 16.457 ( 0.306 0.000 -4.076) 4.087 16.555 ( 19.502 -0.000 -20.157) 28.047 16.985 ( -28.517 0.000 3.089) 28.684 17.022 ( -1.374 -0.000 8.793) 8.900 17.153 ( 1.224 -0.000 0.750) 1.436 17.341 ( -9.644 0.000 -6.419) 11.585 17.501 ( -6.068 0.000 3.807) 7.164 17.593 ( 11.847 -0.000 -13.276) 17.794 17.658 ( -6.155 0.000 6.940) 9.276 17.925 ( 4.452 -0.000 16.324) 16.920 18.659 ( -5.166 0.000 1.183) 5.300 18.879 ( 4.238 -0.000 -2.804) 5.082 19.168 ( 1.922 0.000 -7.239) 7.490 19.198 ( -3.823 -0.000 12.003) 12.597 19.347 ( 3.922 0.000 -15.517) 16.005 19.429 ( -0.271 0.000 -10.088) 10.092 19.760 ( -2.901 -0.000 8.624) 9.098 19.907 ( -2.253 -0.000 10.362) 10.604 20.321 ( -21.169 0.000 -14.553) 25.689 20.659 ( -4.445 0.000 -7.314) 8.559 20.757 ( 5.840 -0.000 24.640) 25.323 20.858 ( -9.872 0.000 -3.397) 10.441 21.590 ( -11.915 -0.000 20.697) 23.882 21.595 ( -4.710 0.000 4.678) 6.638 21.911 ( 0.897 -0.000 1.480) 1.731 21.912 ( 2.832 -0.000 0.237) 2.842 22.177 ( 2.558 -0.000 3.449) 4.294 22.228 ( 3.735 -0.000 5.109) 6.328 22.348 ( -1.227 0.000 -5.105) 5.251 22.439 ( 0.920 -0.000 -1.350) 1.634 22.719 ( 1.062 0.000 -2.772) 2.968 22.886 ( -3.339 0.000 -1.794) 3.790 23.020 ( -1.721 0.000 -5.050) 5.335 23.457 ( -13.275 0.000 2.200) 13.456 23.470 ( 5.745 -0.000 -7.859) 9.735 23.566 ( -3.030 0.000 -5.093) 5.926 23.753 ( -0.896 0.000 -0.214) 0.922 23.930 ( -3.398 0.000 -0.554) 3.443 24.119 ( -12.040 0.000 -3.035) 12.417 24.142 ( 0.582 0.000 -1.904) 1.991 24.444 ( -2.190 -0.000 7.095) 7.426 24.868 ( -7.781 0.000 2.868) 8.293 25.102 ( -8.379 0.000 -1.270) 8.475 25.667 ( -2.717 0.000 -2.602) 3.762 26.245 ( 5.388 -0.000 -3.567) 6.462 26.401 ( 3.144 -0.000 -4.055) 5.131 26.532 ( 8.995 -0.000 3.772) 9.754 26.777 ( 0.551 -0.000 5.023) 5.053 28.253 ( 4.107 -0.000 4.316) 5.957 28.584 ( 0.591 0.000 -1.052) 1.207 28.872 ( 10.133 -0.000 -8.116) 12.983 28.940 ( 7.056 -0.000 -1.391) 7.192 29.300 ( -4.602 0.000 0.787) 4.668 29.434 ( -5.100 0.000 -1.573) 5.337 29.597 ( -1.352 0.000 2.174) 2.560 29.701 ( 1.347 -0.000 5.592) 5.752 29.912 ( -1.738 0.000 -0.975) 1.993 30.128 ( -0.826 -0.000 5.298) 5.362 30.434 ( -8.202 0.000 -2.789) 8.664 30.605 ( -5.407 0.000 -1.397) 5.585 31.037 ( -1.481 0.000 2.490) 2.897 31.462 ( 5.228 -0.000 -0.772) 5.285 31.616 ( 6.774 -0.000 0.752) 6.816 32.314 ( 3.303 -0.000 -1.323) 3.558 32.760 ( -2.981 0.000 -2.461) 3.866 33.168 ( 4.436 -0.000 -1.023) 4.553 34.373 ( 0.126 -0.000 0.233) 0.265 34.874 ( -0.650 0.000 -0.941) 1.144 49.655 ( 3.326 -0.000 -0.454) 3.357 49.781 ( -1.658 -0.000 3.443) 3.822 ======================= Grid point 49 (47/105) ======================= q-point: ( 0.31 -0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( -43.534 -14.257 -0.000) 45.809 3.854 ( -82.691 9.570 -0.000) 83.243 4.818 ( -28.542 85.592 0.000) 90.226 6.133 (-102.131 35.256 -0.000) 108.045 6.498 ( -1.351 -4.793 -0.000) 4.979 6.982 ( 11.340 -8.395 0.000) 14.109 7.038 ( -7.249 4.339 -0.000) 8.448 7.824 ( 13.914 9.495 0.000) 16.845 7.895 ( 7.818 0.077 0.000) 7.818 9.325 ( 5.323 -33.282 -0.000) 33.705 9.958 ( 13.535 -6.336 0.000) 14.945 10.618 ( 8.795 -2.685 0.000) 9.196 11.090 ( -17.031 -7.026 -0.000) 18.423 11.149 ( -2.199 10.407 0.000) 10.637 12.103 ( 26.269 -6.962 0.000) 27.176 12.485 ( 1.796 1.244 0.000) 2.185 12.637 ( -23.500 11.841 -0.000) 26.315 12.926 ( -5.698 1.095 -0.000) 5.802 13.063 ( -16.790 -18.412 -0.000) 24.918 13.491 ( -22.902 13.301 -0.000) 26.484 13.816 ( 9.880 -36.943 -0.000) 38.241 13.864 ( -8.084 7.392 -0.000) 10.954 14.702 ( 11.339 7.310 0.000) 13.491 15.013 ( 7.312 -3.652 0.000) 8.173 15.501 ( 5.463 -27.440 -0.000) 27.979 16.436 ( 7.328 15.408 0.000) 17.062 16.635 ( -2.528 0.533 -0.000) 2.583 16.853 ( 2.294 -28.143 -0.000) 28.237 16.872 ( -2.824 5.835 -0.000) 6.482 17.311 ( -11.037 15.324 -0.000) 18.885 17.367 ( 4.428 14.549 0.000) 15.208 17.643 ( -6.393 8.032 -0.000) 10.266 17.819 ( 1.995 13.021 0.000) 13.173 17.990 ( -6.994 -1.537 -0.000) 7.161 18.083 ( -3.796 23.239 0.000) 23.547 18.302 ( 15.761 6.629 0.000) 17.098 18.409 ( -13.194 0.335 -0.000) 13.198 18.527 ( -23.215 -12.841 -0.000) 26.530 18.778 ( -2.367 -14.628 -0.000) 14.818 19.076 ( 16.700 -7.815 0.000) 18.438 19.181 ( -14.407 -4.096 -0.000) 14.978 19.767 ( 20.150 20.809 0.000) 28.966 20.029 ( 5.239 1.434 0.000) 5.431 20.173 ( 17.401 15.693 0.000) 23.432 20.289 ( 1.317 6.715 0.000) 6.843 20.592 ( 6.573 -5.857 0.000) 8.804 20.616 ( 3.007 -51.423 -0.000) 51.511 20.936 ( 12.286 -1.675 0.000) 12.400 21.371 ( -3.017 -13.088 -0.000) 13.431 21.455 ( 5.486 1.787 0.000) 5.770 21.699 ( 2.281 1.352 0.000) 2.652 21.722 ( -9.871 3.207 -0.000) 10.379 21.852 ( 2.817 2.941 0.000) 4.073 22.410 ( 6.329 2.905 0.000) 6.964 22.439 ( -2.049 -2.118 -0.000) 2.947 22.675 ( 5.453 1.392 0.000) 5.628 22.869 ( 1.761 5.279 0.000) 5.565 23.007 ( -6.835 -2.821 -0.000) 7.394 23.034 ( 2.267 3.231 0.000) 3.947 23.311 ( -11.015 0.397 -0.000) 11.022 23.631 ( 0.102 -1.088 -0.000) 1.093 23.735 ( 13.370 -5.288 0.000) 14.378 23.796 ( -14.001 10.453 -0.000) 17.473 23.840 ( -2.711 -0.505 -0.000) 2.758 24.461 ( 14.005 9.463 0.000) 16.902 24.510 ( 11.148 -1.871 0.000) 11.304 24.708 ( 24.138 -3.137 0.000) 24.341 24.862 ( 7.866 -3.854 0.000) 8.760 25.234 ( 4.662 3.178 0.000) 5.642 25.509 ( 5.860 -14.028 0.000) 15.203 26.146 ( -6.842 -3.155 -0.000) 7.534 26.271 ( -10.581 -0.161 -0.000) 10.582 26.451 ( -2.500 1.559 -0.000) 2.946 26.652 ( -4.394 0.636 -0.000) 4.440 28.201 ( -4.115 4.000 -0.000) 5.738 28.572 ( -5.497 4.504 -0.000) 7.107 28.677 ( -7.260 -2.673 -0.000) 7.737 28.769 ( -4.111 -2.634 -0.000) 4.882 29.479 ( -1.062 -0.941 -0.000) 1.419 29.558 ( 4.697 -0.029 0.000) 4.697 29.685 ( 2.795 -0.462 0.000) 2.833 29.822 ( 5.620 16.997 0.000) 17.902 29.881 ( -1.282 -6.092 -0.000) 6.226 30.241 ( 2.159 7.377 0.000) 7.687 30.583 ( 8.491 -3.563 0.000) 9.208 30.631 ( 5.569 -4.627 0.000) 7.241 31.090 ( 1.726 3.214 0.000) 3.648 31.360 ( 0.281 0.383 0.000) 0.476 31.566 ( -9.364 5.492 -0.000) 10.856 31.996 ( -4.939 -10.638 -0.000) 11.729 32.740 ( -12.727 -11.806 -0.000) 17.360 32.979 ( 0.031 5.446 0.000) 5.446 34.510 ( -1.135 5.923 0.000) 6.030 34.757 ( 1.105 -5.978 -0.000) 6.080 49.652 ( -0.579 0.899 -0.000) 1.069 50.362 ( 19.041 14.979 0.000) 24.226 ======================= Grid point 51 (48/105) ======================= q-point: (-0.69 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.126 ( 33.040 2.134 1.381) 33.138 5.727 ( -22.934 1.444 3.883) 23.305 6.145 ( 1.708 27.801 -0.662) 27.862 6.725 ( -8.771 -12.660 -0.065) 15.402 7.154 ( 23.629 3.493 -9.052) 25.544 7.301 ( 11.613 4.532 -0.125) 12.467 7.593 ( -9.387 -9.564 -1.439) 13.478 7.749 ( -1.037 -19.494 -4.301) 19.989 8.718 ( 4.726 6.587 6.793) 10.577 8.944 ( -7.547 -11.828 3.568) 14.478 9.800 ( -6.074 -1.504 -0.810) 6.309 9.979 ( -11.959 -8.336 -1.249) 14.631 10.785 ( 14.102 6.596 6.299) 16.795 11.260 ( -17.624 -7.857 10.788) 22.107 12.328 ( 3.981 29.989 -4.160) 30.537 12.567 ( 44.809 -11.944 -15.010) 48.742 12.899 ( -0.289 6.040 -10.077) 11.752 13.049 ( 2.784 0.411 -10.506) 10.876 13.493 ( 4.030 24.601 6.743) 25.825 14.086 ( 21.912 -4.549 2.811) 22.555 14.170 ( 15.412 -0.070 -0.667) 15.427 14.380 ( 7.377 -19.029 -1.596) 20.471 14.532 ( -22.950 -0.401 -2.215) 23.060 14.950 ( -11.590 -24.529 1.231) 27.158 15.536 ( 15.958 12.471 -13.387) 24.277 16.039 ( -9.829 -7.314 -0.067) 12.252 16.437 ( -3.170 10.853 -1.184) 11.368 16.598 ( 10.520 0.605 7.462) 12.912 16.849 ( -13.623 -1.107 9.048) 16.391 17.002 ( -8.422 -23.039 -5.693) 25.182 17.517 ( 0.104 7.002 5.456) 8.877 17.540 ( 3.083 3.717 2.914) 5.640 17.732 ( 2.764 13.868 6.890) 15.730 17.907 ( -0.092 3.450 15.456) 15.836 17.997 ( -1.394 6.312 0.899) 6.526 18.138 ( -2.961 -3.596 5.376) 7.114 18.335 ( -7.808 3.703 11.825) 14.646 18.458 ( -1.729 -4.765 8.546) 9.937 18.840 ( 3.999 -10.147 -0.361) 10.912 18.997 ( -1.006 -17.004 1.931) 17.142 19.370 ( 5.903 12.014 -3.497) 13.835 19.485 ( -9.894 9.705 1.884) 13.987 19.835 ( 0.820 33.781 -5.692) 34.267 20.037 ( 0.754 4.832 -10.926) 11.970 20.311 ( -13.147 0.329 -11.315) 17.349 20.390 ( 5.598 -1.736 -2.956) 6.564 20.812 ( 4.535 -10.465 -4.965) 12.439 20.868 ( -5.386 -18.844 -5.328) 20.310 21.318 ( 3.484 5.538 -2.874) 7.146 21.549 ( -0.912 -8.854 -5.406) 10.414 21.801 ( -0.862 -2.135 2.736) 3.576 21.952 ( -7.968 -4.777 5.378) 10.734 22.100 ( 4.021 -2.435 -2.699) 5.420 22.179 ( -8.680 1.426 0.587) 8.816 22.393 ( 3.832 -2.737 -0.619) 4.750 22.446 ( -3.350 -1.552 -0.313) 3.705 22.786 ( 7.677 2.915 1.741) 8.395 22.912 ( -0.527 3.483 0.801) 3.613 22.957 ( -2.722 -0.285 3.830) 4.707 22.979 ( -1.648 -2.827 -0.438) 3.302 23.542 ( 0.618 -0.661 -4.704) 4.790 23.639 ( -7.557 -0.718 -0.826) 7.635 23.856 ( -0.484 -0.696 4.861) 4.934 23.873 ( -0.735 -0.361 5.057) 5.123 24.194 ( 0.961 11.518 2.519) 11.829 24.339 ( 2.830 9.977 -1.045) 10.423 24.424 ( -3.324 -6.480 -2.594) 7.731 24.633 ( -5.127 -6.833 -2.583) 8.925 24.985 ( 4.497 14.044 0.234) 14.748 25.323 ( -2.502 -13.368 0.862) 13.627 26.343 ( 4.827 0.081 -0.899) 4.911 26.392 ( -0.061 -0.105 0.402) 0.420 26.751 ( 4.967 0.170 -2.952) 5.781 26.823 ( -2.293 0.216 -0.367) 2.333 28.442 ( 2.041 0.521 -0.111) 2.109 28.476 ( -0.651 -0.471 0.992) 1.277 28.944 ( 7.600 -1.545 1.263) 7.858 29.014 ( -1.105 0.160 -0.244) 1.142 29.312 ( -1.705 1.699 3.029) 3.869 29.332 ( -3.267 3.366 3.221) 5.690 29.610 ( 0.227 3.439 -2.925) 4.520 29.756 ( -3.305 -7.127 -3.066) 8.433 30.086 ( 1.742 4.128 -3.832) 5.896 30.155 ( -2.495 1.044 -0.365) 2.730 30.348 ( -3.423 2.388 1.436) 4.414 30.394 ( -1.084 -5.719 2.740) 6.434 31.192 ( -2.263 5.115 1.035) 5.688 31.288 ( 2.336 -8.492 -0.654) 8.832 31.877 ( 0.673 7.407 0.922) 7.495 32.005 ( 3.417 -9.182 -0.266) 9.801 32.903 ( 3.581 9.915 -1.133) 10.602 33.099 ( 0.004 -7.041 0.119) 7.042 34.563 ( -0.485 7.244 0.563) 7.282 34.684 ( 0.783 -6.522 0.148) 6.571 49.749 ( 3.898 1.136 -0.003) 4.060 49.896 ( -8.550 -1.667 1.664) 8.868 ======================= Grid point 52 (49/105) ======================= q-point: (-0.29 -0.21 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -33.160 0.305 2.511) 33.257 3.987 ( -11.327 -61.035 -38.409) 72.999 5.977 ( -19.574 -5.200 -74.906) 77.595 6.410 ( -3.775 4.476 26.464) 27.104 6.725 ( -6.289 -0.194 0.917) 6.359 6.848 ( -18.108 11.489 33.550) 39.818 7.283 ( -3.316 15.654 11.790) 19.876 7.926 ( 7.484 -0.124 -4.257) 8.611 8.208 ( 0.472 -9.744 2.409) 10.049 8.594 ( -30.046 5.469 -58.047) 65.590 9.743 ( -11.564 15.810 30.185) 35.984 10.265 ( -8.231 7.836 18.716) 21.897 10.910 ( 3.070 -14.752 -5.674) 16.101 11.631 ( 8.583 -9.475 -11.820) 17.412 11.867 ( 17.226 -3.464 0.495) 17.577 12.179 ( -11.741 -5.392 0.141) 12.921 12.552 ( 3.577 7.508 11.855) 14.482 12.667 ( 22.302 17.782 8.461) 29.752 13.029 ( 15.566 -4.421 3.878) 16.640 13.309 ( -7.378 10.140 1.417) 12.620 13.528 ( -12.222 10.802 -0.754) 16.328 13.755 ( -19.201 9.287 0.296) 21.331 13.968 ( -20.980 3.396 -1.084) 21.281 14.817 ( -2.267 6.491 -13.293) 14.966 15.100 ( -2.319 -8.969 16.605) 19.014 15.389 ( -19.868 -16.611 16.998) 30.978 16.473 ( 5.421 -9.827 1.080) 11.275 16.875 ( 1.462 -12.380 0.118) 12.466 16.985 ( 8.312 3.672 -8.553) 12.479 17.068 ( 0.380 -2.619 -10.834) 11.153 17.211 ( -3.082 4.065 -0.781) 5.161 17.608 ( 0.272 3.429 6.667) 7.502 17.847 ( -1.501 4.653 -5.685) 7.498 17.862 ( 0.119 3.428 -5.938) 6.857 18.293 ( 7.814 -4.965 3.419) 9.869 18.503 ( 1.477 -33.974 -1.855) 34.057 18.625 ( -5.192 -4.501 -11.745) 13.608 18.765 ( 6.995 15.241 -8.170) 18.654 18.791 ( 8.410 -3.175 3.672) 9.711 19.319 ( -1.165 9.165 13.747) 16.564 19.531 ( -8.628 12.698 6.620) 16.719 19.650 ( -7.725 -1.988 -11.008) 13.594 19.877 ( -2.121 -0.422 2.092) 3.008 20.209 ( 3.752 -13.692 9.462) 17.061 20.467 ( 7.890 -1.019 12.735) 15.016 20.899 ( 20.559 2.103 -7.236) 21.896 21.046 ( -1.277 5.603 -7.606) 9.533 21.237 ( 11.479 -9.166 5.898) 15.830 21.724 ( -2.498 22.640 -1.753) 22.845 21.879 ( -3.917 5.684 8.264) 10.767 22.012 ( 6.700 1.999 2.648) 7.477 22.075 ( 4.637 2.562 -4.203) 6.762 22.144 ( -4.669 5.253 2.729) 7.540 22.279 ( -0.518 0.551 -1.058) 1.301 22.353 ( 1.752 -0.722 -3.461) 3.946 22.511 ( -3.182 -5.487 -6.439) 9.038 22.768 ( 3.501 -4.681 11.195) 12.629 23.067 ( 0.368 -1.102 -4.711) 4.853 23.181 ( 4.475 -6.453 -13.326) 15.467 23.412 ( -0.646 1.919 3.211) 3.796 23.523 ( 12.125 0.412 -0.411) 12.139 23.754 ( 10.010 4.621 7.127) 13.128 23.908 ( 1.552 -1.361 1.819) 2.751 23.992 ( -2.374 -9.274 -7.518) 12.172 24.052 ( 0.043 1.058 12.197) 12.243 24.250 ( -1.876 -1.923 -11.529) 11.838 24.470 ( -9.176 3.511 8.297) 12.859 24.910 ( 2.823 -3.258 -1.277) 4.496 25.095 ( 3.990 -1.678 0.780) 4.398 25.568 ( 3.623 6.085 3.166) 7.757 25.874 ( -7.544 3.133 1.824) 8.370 26.048 ( -7.215 -2.679 -1.117) 7.777 26.770 ( 1.842 -1.192 6.903) 7.243 26.897 ( 6.237 1.402 -6.199) 8.904 28.184 ( -7.484 -0.378 -2.157) 7.798 28.328 ( -2.150 2.873 3.030) 4.696 28.541 ( -2.042 2.565 -4.963) 5.947 28.860 ( -2.154 -4.239 -2.938) 5.590 29.420 ( 2.443 -7.614 5.220) 9.549 29.544 ( 3.921 -0.697 0.768) 4.056 29.708 ( 1.357 -0.182 -0.079) 1.371 29.948 ( -3.913 -2.465 5.465) 7.159 29.977 ( -0.102 3.195 -10.851) 11.312 30.236 ( 2.135 0.796 -5.253) 5.726 30.719 ( 6.871 0.573 3.763) 7.855 30.798 ( 5.567 7.636 0.331) 9.455 31.222 ( -0.301 -3.137 -0.140) 3.154 31.388 ( -7.707 -4.312 -1.651) 8.984 31.501 ( 9.341 1.146 -1.431) 9.519 31.834 ( -7.430 6.428 4.425) 10.775 32.563 ( -2.826 -3.125 7.869) 8.926 32.843 ( -8.107 1.643 -5.871) 10.144 34.446 ( 0.220 -3.743 -1.704) 4.119 34.777 ( 0.003 3.724 2.121) 4.285 49.642 ( -0.101 -3.281 -0.004) 3.282 50.339 ( 5.676 -2.375 -11.064) 12.660 ======================= Grid point 54 (50/105) ======================= q-point: (-0.29 0.46 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.103 ( -28.642 -3.797 -1.436) 28.929 5.326 ( 15.491 -35.619 1.460) 38.869 5.911 ( 26.107 2.438 -1.189) 26.248 6.805 ( -29.743 0.704 4.055) 30.026 7.097 ( 4.839 5.869 -0.251) 7.610 7.242 ( 0.260 -2.498 -0.494) 2.560 7.628 ( 10.709 2.189 0.894) 10.967 8.280 ( 11.656 29.635 -4.002) 32.095 8.744 ( -15.463 -0.360 -2.572) 15.679 9.357 ( 13.200 18.401 -2.339) 22.767 9.860 ( 0.821 8.765 0.419) 8.813 10.061 ( -10.244 13.438 13.425) 21.581 10.887 ( -17.198 -16.039 -14.452) 27.602 11.372 ( -4.488 -13.973 -7.168) 16.333 11.774 ( 2.669 -15.963 7.563) 17.865 12.301 ( -6.712 -7.864 -5.854) 11.881 12.558 ( 21.347 -9.083 10.782) 25.582 12.828 ( -8.475 -4.066 15.967) 18.529 13.368 ( -31.117 7.829 -2.991) 32.226 13.759 ( 3.951 -18.237 -4.314) 19.152 14.154 ( 1.505 7.822 19.060) 20.657 14.671 ( 3.256 16.013 -1.440) 16.404 14.781 ( -26.354 -1.780 5.944) 27.075 15.195 ( -14.148 6.127 -4.185) 15.976 15.580 ( 0.880 39.911 2.623) 40.007 16.191 ( 22.293 2.630 -8.225) 23.907 16.491 ( 4.661 13.329 -4.307) 14.762 16.812 ( -7.306 -2.326 -9.536) 12.236 16.944 ( -3.266 -17.028 -0.269) 17.341 17.198 ( 19.462 -13.037 -5.533) 24.069 17.271 ( 2.546 20.196 9.170) 22.326 17.495 ( 4.176 -6.543 -4.463) 8.954 17.627 ( 3.571 -21.600 -2.366) 22.021 17.922 ( 2.940 -4.507 -10.407) 11.716 18.136 ( 13.794 -18.310 -12.126) 25.934 18.365 ( -14.089 -1.054 -14.457) 20.214 18.402 ( 0.963 9.319 0.160) 9.370 18.569 ( 0.426 -31.681 5.876) 32.225 18.916 ( -5.271 11.529 -2.080) 12.846 19.021 ( -8.429 5.600 5.036) 11.303 19.252 ( -5.217 -6.668 0.663) 8.492 19.410 ( 0.193 7.897 -0.461) 7.912 19.628 ( -12.669 3.123 -3.371) 13.477 19.707 ( 3.842 -3.121 16.035) 16.782 20.120 ( 11.837 4.309 -12.110) 17.473 20.444 ( 0.775 5.714 0.523) 5.790 20.624 ( -3.918 -1.743 16.277) 16.833 20.836 ( -1.561 -12.199 -2.384) 12.528 21.181 ( -4.761 -3.514 14.395) 15.564 21.646 ( 3.798 4.117 9.217) 10.786 21.903 ( -1.613 0.196 4.518) 4.801 22.007 ( 7.137 22.587 -2.255) 23.795 22.190 ( 8.660 5.015 1.731) 10.156 22.286 ( -1.236 7.459 -3.222) 8.219 22.441 ( 0.073 -1.491 -4.866) 5.090 22.535 ( 0.957 2.584 -1.209) 3.009 22.818 ( 2.258 -2.821 -4.047) 5.425 22.905 ( 0.969 1.976 -1.023) 2.427 22.984 ( 5.355 -0.508 0.544) 5.407 23.018 ( -0.808 1.781 -0.159) 1.962 23.523 ( -3.187 -0.180 -1.995) 3.764 23.682 ( 11.811 0.208 -3.655) 12.365 23.864 ( 3.183 -11.915 0.031) 12.333 23.945 ( -0.877 0.382 -2.123) 2.329 24.036 ( 2.164 -7.911 -2.277) 8.512 24.133 ( 0.836 -5.893 -4.001) 7.171 24.418 ( -4.154 3.746 10.528) 11.921 24.730 ( 1.158 4.693 -0.283) 4.842 24.754 ( -3.749 -6.927 1.964) 8.118 25.529 ( -0.310 8.243 0.887) 8.296 26.341 ( -6.359 -0.859 -1.343) 6.556 26.426 ( 1.687 -0.197 -3.038) 3.480 26.677 ( -6.266 -0.484 3.222) 7.062 26.783 ( 2.804 -0.170 2.812) 3.975 28.427 ( 1.444 -1.570 -0.758) 2.264 28.507 ( -0.925 1.310 0.371) 1.646 29.015 ( -1.867 2.605 -1.930) 3.741 29.038 ( -5.291 3.054 -0.540) 6.132 29.292 ( 2.754 -6.911 -3.820) 8.363 29.343 ( 0.484 -2.287 -1.796) 2.948 29.569 ( 1.761 1.246 -0.213) 2.168 29.781 ( 1.410 2.407 2.631) 3.835 29.905 ( 0.676 -3.590 5.447) 6.559 30.120 ( 3.775 -0.979 1.204) 4.081 30.335 ( 2.046 -1.559 -1.069) 2.786 30.541 ( 3.083 3.655 -2.149) 5.242 31.151 ( 5.208 -1.898 -0.948) 5.623 31.429 ( -4.297 6.985 0.513) 8.217 31.781 ( -0.468 -4.307 -0.451) 4.356 32.171 ( -5.409 8.698 0.403) 10.251 32.696 ( -5.206 -9.346 0.580) 10.714 33.205 ( -0.190 4.004 -0.161) 4.012 34.452 ( 1.293 -5.150 -0.199) 5.314 34.789 ( -1.751 3.808 -0.339) 4.205 49.725 ( -2.114 -1.254 -0.019) 2.459 49.963 ( 12.036 1.006 -1.730) 12.202 ======================= Grid point 55 (51/105) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 33.362 0.000) 33.362 0.835 ( 0.000 44.542 0.000) 44.542 2.558 ( -0.000 -0.245 -0.000) 0.245 2.577 ( 0.000 137.084 0.000) 137.084 6.497 ( -0.000 -0.071 -0.000) 0.071 6.835 ( 0.000 1.421 0.000) 1.421 7.298 ( -0.000 -1.941 -0.000) 1.941 8.106 ( -0.000 -1.902 -0.000) 1.902 8.453 ( -0.000 -6.878 -0.000) 6.878 10.169 ( -0.000 -13.679 -0.000) 13.679 10.214 ( -0.000 -33.965 -0.000) 33.965 10.458 ( 0.000 16.822 0.000) 16.822 10.631 ( 0.000 18.782 0.000) 18.782 11.059 ( -0.000 -8.279 -0.000) 8.279 11.870 ( 0.000 10.194 0.000) 10.194 12.309 ( 0.000 21.336 0.000) 21.336 12.439 ( 0.000 1.932 0.000) 1.932 12.966 ( -0.000 -24.498 -0.000) 24.498 13.109 ( -0.000 -11.300 -0.000) 11.300 13.189 ( -0.000 -6.647 -0.000) 6.647 14.007 ( -0.000 -4.744 -0.000) 4.744 14.807 ( -0.000 -0.747 -0.000) 0.747 15.010 ( -0.000 -54.362 -0.000) 54.362 15.239 ( -0.000 -0.763 -0.000) 0.763 15.792 ( 0.000 18.556 0.000) 18.556 16.451 ( 0.000 5.649 0.000) 5.649 16.625 ( 0.000 17.445 0.000) 17.445 16.910 ( 0.000 1.593 0.000) 1.593 16.968 ( -0.000 -3.423 -0.000) 3.423 17.008 ( 0.000 25.215 0.000) 25.215 17.167 ( -0.000 -17.344 -0.000) 17.344 17.195 ( -0.000 -9.704 -0.000) 9.704 17.580 ( -0.000 -12.726 -0.000) 12.726 17.656 ( 0.000 28.764 0.000) 28.764 17.919 ( 0.000 5.409 0.000) 5.409 17.965 ( 0.000 8.508 0.000) 8.508 18.164 ( -0.000 -4.880 -0.000) 4.880 18.369 ( 0.000 3.865 0.000) 3.865 18.792 ( -0.000 -2.279 -0.000) 2.279 19.185 ( -0.000 -18.630 -0.000) 18.630 19.278 ( 0.000 29.305 0.000) 29.305 19.633 ( -0.000 -13.243 -0.000) 13.243 19.880 ( 0.000 19.093 0.000) 19.093 20.244 ( 0.000 14.803 0.000) 14.803 20.974 ( -0.000 -8.652 -0.000) 8.652 21.057 ( -0.000 -5.822 -0.000) 5.822 21.201 ( -0.000 -7.559 -0.000) 7.559 21.334 ( -0.000 -14.033 -0.000) 14.033 21.388 ( 0.000 6.904 0.000) 6.904 21.463 ( -0.000 -5.369 -0.000) 5.369 21.636 ( -0.000 -11.234 -0.000) 11.234 21.945 ( -0.000 -17.373 -0.000) 17.373 22.272 ( 0.000 0.497 0.000) 0.497 22.474 ( -0.000 -2.387 -0.000) 2.387 22.482 ( 0.000 1.801 0.000) 1.801 22.673 ( 0.000 4.498 0.000) 4.498 22.697 ( -0.000 -0.476 -0.000) 0.476 22.775 ( 0.000 10.989 0.000) 10.989 22.801 ( 0.000 1.168 0.000) 1.168 23.157 ( -0.000 -6.937 -0.000) 6.937 23.233 ( 0.000 0.139 0.000) 0.139 23.648 ( -0.000 -1.361 -0.000) 1.361 23.695 ( 0.000 8.441 0.000) 8.441 24.218 ( -0.000 -4.346 -0.000) 4.346 24.451 ( 0.000 15.223 0.000) 15.223 24.968 ( -0.000 -0.974 -0.000) 0.974 25.002 ( -0.000 -2.246 -0.000) 2.246 25.306 ( -0.000 -2.413 -0.000) 2.413 25.578 ( -0.000 -3.047 -0.000) 3.047 25.879 ( -0.000 -8.856 -0.000) 8.856 25.999 ( -0.000 -3.584 -0.000) 3.584 26.015 ( -0.000 -0.546 -0.000) 0.546 26.351 ( 0.000 2.716 0.000) 2.716 26.512 ( 0.000 0.652 0.000) 0.652 28.070 ( 0.000 0.586 0.000) 0.586 28.217 ( 0.000 5.239 0.000) 5.239 28.580 ( -0.000 -4.006 -0.000) 4.006 28.767 ( -0.000 -1.116 -0.000) 1.116 29.287 ( 0.000 10.837 0.000) 10.837 29.669 ( -0.000 -0.484 -0.000) 0.484 29.720 ( 0.000 5.030 0.000) 5.030 29.744 ( 0.000 0.459 0.000) 0.459 29.974 ( -0.000 -3.733 -0.000) 3.733 30.250 ( 0.000 3.100 0.000) 3.100 30.863 ( -0.000 -5.488 -0.000) 5.488 31.019 ( -0.000 -8.062 -0.000) 8.062 31.035 ( 0.000 5.149 0.000) 5.149 31.254 ( 0.000 3.568 0.000) 3.568 31.296 ( 0.000 4.991 0.000) 4.991 32.027 ( -0.000 -8.267 -0.000) 8.267 32.296 ( -0.000 -1.286 -0.000) 1.286 32.903 ( 0.000 3.549 0.000) 3.549 34.410 ( 0.000 3.039 0.000) 3.039 34.870 ( -0.000 -2.968 -0.000) 2.968 49.644 ( 0.000 0.375 0.000) 0.375 51.067 ( -0.000 -0.189 -0.000) 0.189 ======================= Grid point 56 (52/105) ======================= q-point: ( 0.10 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.248 ( 33.986 53.432 21.431) 66.853 4.563 ( 39.146 0.790 -4.781) 39.445 5.881 ( 27.071 1.543 31.100) 41.260 6.682 ( -4.567 -1.517 0.574) 4.846 6.762 ( 10.814 0.900 3.918) 11.537 7.178 ( 12.889 -1.479 1.314) 13.040 7.370 ( -6.474 -3.381 0.570) 7.326 7.876 ( -11.346 2.957 3.258) 12.169 9.277 ( 12.874 -17.998 -40.428) 46.088 9.488 ( 11.136 -18.412 11.122) 24.222 10.040 ( 43.969 -5.883 38.636) 58.827 10.450 ( -6.540 -12.074 -7.052) 15.437 10.823 ( -7.136 -0.146 -0.740) 7.176 11.065 ( -30.242 -1.204 14.621) 33.612 11.346 ( -2.689 8.360 -13.538) 16.137 12.229 ( -9.282 26.771 -2.359) 28.433 12.420 ( 2.451 36.108 -6.032) 36.690 12.856 ( 8.217 4.332 8.467) 12.569 13.551 ( 7.938 0.393 -2.864) 8.448 13.651 ( 37.512 -18.041 -24.381) 48.239 14.009 ( 9.092 -28.687 3.111) 30.254 14.561 ( 10.078 -4.709 -9.139) 14.396 14.959 ( 16.304 -1.368 17.483) 23.945 15.070 ( 15.122 -28.389 -1.544) 32.202 15.621 ( 12.634 -1.871 -11.536) 17.211 16.051 ( -0.365 0.798 -8.923) 8.966 16.343 ( -0.284 10.017 -10.206) 14.303 16.776 ( -3.862 5.784 -0.989) 7.025 16.856 ( -5.279 4.823 -5.124) 8.797 17.088 ( -9.103 2.889 -2.487) 9.869 17.167 ( 2.374 0.128 -1.197) 2.662 17.304 ( -12.085 4.356 11.773) 17.424 17.640 ( -0.546 8.866 -1.731) 9.050 17.696 ( -3.163 10.824 7.978) 13.814 17.979 ( -11.953 7.810 9.926) 17.390 18.364 ( 5.374 0.896 4.543) 7.094 18.560 ( -6.631 -11.456 -4.500) 13.981 18.609 ( 3.235 -10.072 -7.839) 13.167 19.010 ( 0.599 25.084 -9.062) 26.678 19.096 ( 1.512 -9.767 -4.788) 10.982 19.224 ( -13.594 -5.806 -3.576) 15.209 19.414 ( -10.358 1.030 4.529) 11.352 19.997 ( -7.511 -0.727 11.362) 13.639 20.082 ( -13.471 -1.054 -1.296) 13.574 20.213 ( -7.393 10.205 0.256) 12.604 20.476 ( 14.457 -2.901 -1.189) 14.793 20.821 ( -7.106 0.880 2.927) 7.735 21.032 ( -7.378 8.086 -5.406) 12.208 21.726 ( -2.575 -11.723 12.311) 17.194 21.748 ( 4.510 -19.024 -0.225) 19.552 21.900 ( 0.957 -1.038 -1.690) 2.202 21.935 ( -0.354 -7.511 5.167) 9.124 22.193 ( -18.231 -0.718 18.871) 26.249 22.241 ( 4.384 -0.535 -0.532) 4.448 22.309 ( -1.942 -0.903 0.246) 2.156 22.503 ( 1.006 0.139 -0.283) 1.054 22.747 ( 0.852 3.348 -0.555) 3.499 22.835 ( -1.451 3.089 -4.258) 5.457 22.881 ( 3.604 -0.313 -5.490) 6.575 23.189 ( -5.215 -6.142 -5.851) 9.957 23.508 ( 5.047 5.960 -1.428) 7.940 23.595 ( -5.324 -0.461 3.801) 6.558 23.824 ( -4.690 3.187 -1.653) 5.906 23.922 ( -4.201 3.695 -0.967) 5.678 24.105 ( -5.068 5.215 -0.721) 7.307 24.204 ( -6.263 10.139 -3.701) 12.479 24.477 ( 3.176 -2.128 0.048) 3.824 24.832 ( -7.329 -6.982 -0.684) 10.145 25.076 ( -4.779 2.743 -3.827) 6.709 25.526 ( -0.839 -9.245 -1.673) 9.432 26.215 ( 7.305 0.066 0.813) 7.350 26.341 ( 4.532 0.552 -1.992) 4.981 26.640 ( 5.401 -0.029 6.365) 8.348 26.840 ( -0.091 0.231 -0.155) 0.293 28.359 ( 3.225 0.650 4.048) 5.216 28.508 ( 0.500 -1.259 -4.801) 4.989 28.734 ( 10.111 -1.043 -0.551) 10.180 28.969 ( 5.162 2.572 -0.214) 5.771 29.326 ( -5.754 4.102 -2.732) 7.576 29.400 ( -5.062 2.538 -3.147) 6.478 29.629 ( -2.297 0.907 0.989) 2.660 29.800 ( 0.612 -4.853 7.040) 8.572 29.998 ( -0.903 3.726 4.443) 5.869 30.206 ( 2.060 1.975 -1.054) 3.042 30.376 ( -9.457 -0.314 -0.949) 9.509 30.548 ( -5.797 -2.999 -1.342) 6.663 31.108 ( -3.284 1.328 2.900) 4.578 31.399 ( 4.470 -4.339 -1.170) 6.339 31.667 ( 6.096 3.564 0.880) 7.116 32.182 ( 4.054 -8.728 -2.560) 9.958 32.771 ( 0.331 7.151 -3.273) 7.872 33.111 ( 5.536 -4.551 0.687) 7.199 34.425 ( 0.359 4.618 0.435) 4.652 34.809 ( -0.359 -4.037 -1.345) 4.270 49.672 ( 2.449 1.648 0.084) 2.953 49.916 ( -6.036 4.244 3.668) 8.240 ======================= Grid point 60 (53/105) ======================= q-point: ( 0.49 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( -43.243 -6.166 -1.400) 43.703 4.407 ( -64.682 11.650 34.438) 74.199 6.075 ( -10.784 1.275 -8.965) 14.081 6.221 ( -46.949 15.740 20.193) 53.477 6.800 ( 2.157 -3.882 -0.230) 4.446 6.931 ( -18.430 1.138 6.220) 19.484 7.541 ( 10.838 26.914 1.318) 29.044 7.951 ( -5.139 15.280 8.272) 18.119 8.132 ( -12.734 18.189 9.674) 24.219 8.762 ( -4.677 -17.790 -0.036) 18.395 9.558 ( -11.501 -1.853 -30.839) 32.965 10.659 ( 15.196 -0.593 7.660) 17.028 10.853 ( 17.013 2.861 -4.470) 17.821 11.519 ( 21.916 0.588 8.064) 23.360 11.877 ( 0.879 0.800 -7.499) 7.593 12.407 ( -6.895 -22.690 3.523) 23.975 12.492 ( -6.612 -21.154 6.822) 23.189 12.730 ( -6.508 -9.180 -13.192) 17.340 12.996 ( -10.472 -15.773 -6.917) 20.157 13.224 ( -18.385 18.432 2.585) 26.162 13.952 ( -20.868 26.416 -7.921) 34.584 14.072 ( -14.715 10.785 2.098) 18.364 14.699 ( 0.146 -1.577 -15.327) 15.409 14.896 ( 4.391 3.926 0.874) 5.955 15.092 ( 7.694 -21.948 8.229) 24.670 16.164 ( -10.422 -29.095 -9.995) 32.481 16.669 ( 0.467 0.698 -5.486) 5.550 16.721 ( 6.403 13.396 -4.570) 15.535 16.995 ( -2.735 11.337 2.703) 11.971 17.326 ( 4.960 -7.755 -4.473) 10.235 17.548 ( -11.069 7.657 -6.768) 15.065 17.660 ( -2.242 2.156 -9.866) 10.345 17.785 ( -2.972 0.913 -8.676) 9.216 17.891 ( -0.608 4.339 -0.119) 4.383 18.219 ( -1.387 11.753 -3.618) 12.375 18.413 ( 2.393 -9.446 2.952) 10.182 18.532 ( 6.438 7.120 2.300) 9.871 18.645 ( 3.219 11.567 6.102) 13.468 18.935 ( -4.904 7.301 16.776) 18.941 19.081 ( 13.949 -3.701 -3.289) 14.802 19.234 ( -0.362 2.758 9.674) 10.066 19.537 ( 2.699 -51.840 -1.404) 51.929 19.706 ( 4.706 -4.113 3.119) 6.985 20.238 ( 8.993 -12.165 -3.400) 15.506 20.335 ( 11.487 1.259 11.784) 16.504 20.465 ( 6.409 0.312 16.201) 17.426 20.723 ( 5.665 -2.215 -6.344) 8.789 21.036 ( 1.417 20.914 7.024) 22.107 21.198 ( -1.094 -8.711 3.690) 9.523 21.507 ( -1.055 8.486 1.150) 8.629 21.824 ( -4.420 2.846 5.979) 7.961 21.840 ( -0.208 -1.275 5.713) 5.857 22.018 ( 3.294 10.456 2.709) 11.292 22.333 ( -3.735 -3.327 -3.534) 6.125 22.441 ( 7.205 2.087 -2.297) 7.845 22.644 ( 3.295 0.031 -3.667) 4.930 22.883 ( -5.664 -0.535 -4.178) 7.058 22.938 ( 6.187 3.241 -0.202) 6.988 23.112 ( 3.454 3.623 0.251) 5.012 23.397 ( 9.047 -7.262 -2.197) 11.807 23.477 ( -7.674 1.706 2.920) 8.386 23.666 ( 0.754 0.643 -2.030) 2.259 23.773 ( -4.933 -1.106 -1.994) 5.434 24.136 ( -9.489 8.033 5.804) 13.720 24.212 ( 3.926 -7.168 -12.917) 15.285 24.507 ( 18.787 2.990 -5.154) 19.709 24.681 ( 9.820 -9.956 -2.232) 14.161 24.851 ( 17.550 2.908 5.871) 18.733 25.181 ( 6.564 -13.475 -5.189) 15.862 25.378 ( 0.144 8.165 0.852) 8.210 26.047 ( -8.942 -3.164 -1.946) 9.683 26.340 ( -4.254 0.212 -0.395) 4.277 26.363 ( -7.543 0.105 0.995) 7.609 26.789 ( -1.043 0.842 6.754) 6.886 28.289 ( -4.145 3.213 0.650) 5.284 28.507 ( -5.200 -1.449 -6.636) 8.554 28.660 ( -4.570 5.456 -1.239) 7.224 28.863 ( -3.985 0.592 5.882) 7.130 29.434 ( 0.599 -5.718 0.314) 5.758 29.531 ( 4.205 -0.747 -2.535) 4.966 29.675 ( 3.102 -0.432 0.339) 3.150 29.775 ( -1.609 -6.533 4.356) 8.015 30.087 ( 7.211 9.953 -1.577) 12.391 30.418 ( -1.334 10.317 -1.374) 10.493 30.448 ( 8.332 -4.402 -2.064) 9.646 30.601 ( 6.293 -1.089 1.374) 6.533 31.170 ( 0.324 2.044 1.973) 2.859 31.359 ( 3.844 1.189 -1.390) 4.257 31.703 ( -9.494 6.752 1.816) 11.791 31.782 ( -5.557 -8.805 -1.837) 10.573 32.572 ( -10.635 -9.251 2.811) 14.373 33.055 ( -2.230 4.599 -1.744) 5.400 34.601 ( -0.710 -0.441 -1.354) 1.591 34.649 ( 0.590 -0.371 0.569) 0.900 49.670 ( -0.581 0.230 0.287) 0.688 50.484 ( 16.355 6.455 -6.182) 18.638 ======================= Grid point 61 (54/105) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 54.230 -0.000 0.000) 54.230 3.671 ( 87.433 -0.000 0.000) 87.433 4.394 ( 27.242 -0.000 0.000) 27.242 5.692 ( 128.006 -0.000 0.000) 128.006 6.555 ( 3.982 -0.000 0.000) 3.982 7.006 ( 8.713 -0.000 0.000) 8.713 7.107 ( -10.690 0.000 -0.000) 10.690 7.389 ( -4.597 0.000 -0.000) 4.597 7.897 ( -9.375 0.000 -0.000) 9.375 9.880 ( -15.168 0.000 -0.000) 15.168 10.586 ( 13.409 -0.000 0.000) 13.409 10.673 ( 2.193 -0.000 0.000) 2.193 10.959 ( 13.261 -0.000 0.000) 13.261 11.020 ( -12.858 0.000 -0.000) 12.858 12.139 ( -10.219 0.000 -0.000) 10.219 12.218 ( 24.283 -0.000 0.000) 24.283 12.509 ( -47.739 0.000 -0.000) 47.739 12.511 ( 11.261 -0.000 0.000) 11.261 13.514 ( 6.371 -0.000 0.000) 6.371 13.582 ( 22.952 -0.000 0.000) 22.952 13.617 ( -0.784 0.000 -0.000) 0.784 14.620 ( 13.747 -0.000 0.000) 13.747 15.028 ( -8.270 0.000 -0.000) 8.270 15.360 ( -19.452 0.000 -0.000) 19.452 16.119 ( -4.203 0.000 -0.000) 4.203 16.353 ( 22.405 -0.000 0.000) 22.405 16.463 ( -0.036 0.000 -0.000) 0.036 16.801 ( -13.327 0.000 -0.000) 13.327 16.841 ( 0.458 -0.000 0.000) 0.458 16.869 ( 19.070 -0.000 0.000) 19.070 17.234 ( -1.198 0.000 -0.000) 1.198 17.295 ( 0.822 -0.000 0.000) 0.822 17.527 ( 10.555 -0.000 0.000) 10.555 17.564 ( -6.729 0.000 -0.000) 6.729 17.773 ( -9.182 0.000 -0.000) 9.182 18.031 ( -9.360 0.000 -0.000) 9.360 18.677 ( 13.313 -0.000 0.000) 13.313 18.851 ( 23.523 -0.000 0.000) 23.523 18.942 ( -14.479 0.000 -0.000) 14.479 19.057 ( 9.730 -0.000 0.000) 9.730 19.641 ( -14.090 0.000 -0.000) 14.090 19.641 ( 10.558 -0.000 0.000) 10.558 19.695 ( 6.194 -0.000 0.000) 6.194 19.759 ( -8.667 0.000 -0.000) 8.667 20.208 ( -12.408 0.000 -0.000) 12.408 20.826 ( -6.549 0.000 -0.000) 6.549 20.904 ( -17.428 0.000 -0.000) 17.428 21.206 ( -13.898 0.000 -0.000) 13.898 21.461 ( -2.055 0.000 -0.000) 2.055 21.719 ( -3.427 0.000 -0.000) 3.427 21.801 ( 2.630 -0.000 0.000) 2.630 21.826 ( 4.766 -0.000 0.000) 4.766 22.151 ( 0.310 -0.000 0.000) 0.310 22.201 ( -9.519 0.000 -0.000) 9.519 22.441 ( -0.046 0.000 -0.000) 0.046 22.488 ( -6.278 0.000 -0.000) 6.278 22.743 ( 0.835 -0.000 0.000) 0.835 22.969 ( -1.590 0.000 -0.000) 1.590 23.066 ( 8.143 -0.000 0.000) 8.143 23.525 ( 2.877 -0.000 0.000) 2.877 23.548 ( -0.873 0.000 -0.000) 0.873 23.570 ( 10.358 -0.000 0.000) 10.358 23.679 ( 0.174 -0.000 0.000) 0.174 24.035 ( -0.550 0.000 -0.000) 0.550 24.058 ( -5.257 0.000 -0.000) 5.257 24.506 ( -20.443 0.000 -0.000) 20.443 24.775 ( -29.148 0.000 -0.000) 29.148 24.939 ( -3.191 0.000 -0.000) 3.191 25.264 ( -6.241 0.000 -0.000) 6.241 25.797 ( -5.792 0.000 -0.000) 5.792 26.202 ( 4.495 -0.000 0.000) 4.495 26.282 ( 10.714 -0.000 0.000) 10.714 26.414 ( 3.516 -0.000 0.000) 3.516 26.632 ( 4.122 -0.000 0.000) 4.122 28.127 ( 3.114 -0.000 0.000) 3.114 28.485 ( 9.614 -0.000 0.000) 9.614 28.809 ( 7.383 -0.000 0.000) 7.383 28.833 ( 4.644 -0.000 0.000) 4.644 29.271 ( 2.908 -0.000 0.000) 2.908 29.556 ( -5.333 0.000 -0.000) 5.333 29.587 ( -3.240 0.000 -0.000) 3.240 29.694 ( -2.091 0.000 -0.000) 2.091 29.975 ( -0.898 0.000 -0.000) 0.898 30.088 ( -2.672 0.000 -0.000) 2.672 30.635 ( -9.262 0.000 -0.000) 9.262 30.745 ( -6.951 0.000 -0.000) 6.951 31.044 ( -2.995 0.000 -0.000) 2.995 31.366 ( 5.450 -0.000 0.000) 5.450 31.439 ( 9.700 -0.000 0.000) 9.700 32.251 ( 4.925 -0.000 0.000) 4.925 32.839 ( -1.773 0.000 -0.000) 1.773 33.105 ( 4.137 -0.000 0.000) 4.137 34.373 ( -0.254 0.000 -0.000) 0.254 34.894 ( -0.292 0.000 -0.000) 0.292 49.630 ( 0.381 -0.000 0.000) 0.381 49.752 ( -0.428 0.000 -0.000) 0.428 ======================= Grid point 62 (55/105) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.885 ( 10.384 -0.000 -3.919) 11.099 5.144 ( -36.721 0.000 2.080) 36.780 5.900 ( 29.087 -0.000 -1.871) 29.147 6.948 ( -15.565 0.000 4.424) 16.181 7.103 ( -3.618 0.000 -3.042) 4.727 7.233 ( 2.315 -0.000 4.220) 4.814 7.642 ( 8.836 -0.000 -0.812) 8.873 8.259 ( 20.406 -0.000 -18.044) 27.239 8.743 ( -24.480 0.000 5.427) 25.075 9.721 ( 2.058 0.000 -6.944) 7.243 9.800 ( 7.664 -0.000 5.029) 9.167 10.562 ( -8.348 0.000 2.521) 8.720 10.834 ( 0.848 0.000 -11.091) 11.123 10.893 ( -8.983 -0.000 26.520) 28.000 11.744 ( -5.196 0.000 5.849) 7.824 11.880 ( 7.984 0.000 -22.607) 23.975 12.613 ( 6.825 -0.000 6.426) 9.374 13.053 ( 2.126 -0.000 6.775) 7.101 13.403 ( 12.584 -0.000 -7.312) 14.554 13.824 ( -67.974 0.000 24.199) 72.153 14.576 ( -7.269 0.000 4.362) 8.477 14.820 ( 6.676 -0.000 0.108) 6.677 15.004 ( -18.824 0.000 18.361) 26.296 15.158 ( -13.297 0.000 -3.838) 13.840 15.948 ( 24.057 -0.000 -9.560) 25.887 16.227 ( 1.847 0.000 -6.164) 6.435 16.358 ( 0.821 0.000 -10.249) 10.282 16.481 ( 7.655 -0.000 -1.935) 7.896 16.631 ( -14.588 0.000 -4.876) 15.382 17.173 ( -3.466 0.000 -7.416) 8.186 17.218 ( 6.861 -0.000 2.977) 7.479 17.412 ( 1.450 0.000 -4.534) 4.760 17.555 ( 17.269 -0.000 -18.007) 24.949 17.683 ( 10.222 -0.000 -1.427) 10.321 17.795 ( -1.684 -0.000 10.312) 10.448 18.068 ( -9.090 0.000 -4.082) 9.964 18.391 ( 5.735 -0.000 4.101) 7.051 18.610 ( 16.163 -0.000 3.713) 16.584 18.688 ( -7.646 0.000 -15.048) 16.879 19.182 ( -17.827 0.000 4.328) 18.345 19.365 ( 6.045 -0.000 6.815) 9.109 19.486 ( -2.625 0.000 2.596) 3.692 19.555 ( 15.086 0.000 -27.651) 31.499 19.823 ( 1.887 -0.000 5.562) 5.874 20.166 ( -1.355 -0.000 22.136) 22.177 20.476 ( 4.778 -0.000 -4.239) 6.387 20.651 ( -1.529 0.000 1.773) 2.342 20.863 ( -14.282 0.000 12.248) 18.815 21.473 ( 4.856 -0.000 7.586) 9.007 21.855 ( -1.525 -0.000 5.257) 5.474 22.030 ( 3.492 -0.000 4.326) 5.560 22.125 ( 9.931 -0.000 0.439) 9.941 22.152 ( -3.034 0.000 -9.493) 9.966 22.320 ( 1.585 0.000 -3.887) 4.198 22.524 ( -1.434 -0.000 3.762) 4.026 22.556 ( 0.895 -0.000 6.610) 6.670 22.733 ( 3.308 -0.000 -2.421) 4.100 22.946 ( -6.740 0.000 -4.639) 8.182 22.955 ( 1.494 -0.000 -2.017) 2.511 23.024 ( 5.398 -0.000 0.754) 5.450 23.518 ( -0.782 0.000 -0.757) 1.088 23.562 ( 0.069 -0.000 1.039) 1.041 23.695 ( 9.272 -0.000 1.039) 9.330 23.854 ( 3.014 0.000 -5.929) 6.651 23.902 ( -0.242 0.000 -4.450) 4.456 24.006 ( 1.304 0.000 -3.573) 3.803 24.629 ( -1.495 0.000 -2.522) 2.932 24.684 ( -0.646 -0.000 8.591) 8.615 24.834 ( -2.226 0.000 1.403) 2.631 25.617 ( 0.124 -0.000 -0.137) 0.185 26.345 ( -5.612 0.000 2.088) 5.988 26.388 ( 0.232 0.000 -0.433) 0.491 26.744 ( -4.644 0.000 3.250) 5.668 26.813 ( 2.460 -0.000 0.152) 2.465 28.413 ( -0.986 0.000 0.721) 1.221 28.501 ( -0.177 0.000 -2.062) 2.070 28.993 ( -5.631 0.000 -3.153) 6.453 29.063 ( 1.949 -0.000 0.626) 2.047 29.112 ( 0.933 0.000 -4.062) 4.167 29.281 ( 1.995 -0.000 -1.971) 2.804 29.588 ( 0.686 -0.000 0.870) 1.108 29.906 ( -1.223 -0.000 6.412) 6.528 29.967 ( 4.595 -0.000 2.611) 5.285 30.118 ( -0.925 0.000 -0.696) 1.158 30.294 ( 3.550 -0.000 -1.159) 3.734 30.525 ( 3.577 -0.000 -2.421) 4.319 31.109 ( 3.859 -0.000 -1.357) 4.091 31.514 ( -3.702 0.000 0.655) 3.759 31.733 ( -1.339 0.000 -0.375) 1.390 32.299 ( -4.216 0.000 1.248) 4.397 32.593 ( -3.278 0.000 0.630) 3.338 33.233 ( -0.830 0.000 -0.495) 0.966 34.399 ( 0.770 -0.000 -0.177) 0.790 34.818 ( -1.132 0.000 -0.167) 1.144 49.714 ( -2.104 0.000 0.131) 2.108 49.920 ( 9.559 -0.000 -2.855) 9.976 ======================= Grid point 63 (56/105) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -20.358 0.000 -50.176) 54.148 2.919 ( -40.280 0.000 6.358) 40.779 4.262 ( -30.542 0.000 -80.259) 85.874 6.145 ( -49.717 0.000 -81.217) 95.226 6.559 ( -1.761 0.000 -1.654) 2.416 6.955 ( -9.882 0.000 -19.081) 21.488 7.656 ( 5.506 -0.000 -3.267) 6.403 7.786 ( 13.746 -0.000 -1.529) 13.831 8.152 ( 1.912 -0.000 2.722) 3.326 8.426 ( -26.988 -0.000 61.556) 67.213 10.061 ( 3.702 -0.000 -2.024) 4.219 10.596 ( 0.413 0.000 -8.298) 8.309 11.269 ( 3.506 0.000 -17.270) 17.623 11.694 ( 2.370 -0.000 53.308) 53.361 11.729 ( 4.028 -0.000 14.548) 15.095 12.154 ( -14.600 0.000 3.009) 14.907 12.635 ( 5.795 0.000 -10.373) 11.882 12.650 ( -3.007 0.000 -19.709) 19.937 13.155 ( 35.551 -0.000 10.735) 37.136 13.381 ( -5.248 0.000 -2.740) 5.920 13.676 ( -8.769 0.000 -6.138) 10.704 14.148 ( -4.021 -0.000 31.233) 31.491 14.363 ( -15.658 -0.000 32.991) 36.518 14.620 ( -4.329 0.000 -9.773) 10.689 15.553 ( -34.042 0.000 19.743) 39.353 15.644 ( 1.854 -0.000 23.277) 23.351 16.454 ( 8.471 -0.000 7.303) 11.184 16.728 ( 4.248 -0.000 -1.902) 4.655 16.731 ( 3.545 0.000 -10.183) 10.783 16.890 ( -1.105 0.000 -2.712) 2.929 17.271 ( 5.470 -0.000 -0.494) 5.493 17.603 ( 1.498 0.000 -10.945) 11.047 17.691 ( -8.444 0.000 1.705) 8.614 17.973 ( 0.431 0.000 -17.637) 17.643 18.008 ( 8.803 -0.000 -0.199) 8.805 18.165 ( -1.134 0.000 -7.662) 7.745 18.383 ( -6.143 0.000 1.227) 6.265 18.733 ( 0.448 0.000 -12.131) 12.140 18.978 ( 7.276 -0.000 12.939) 14.845 19.263 ( -8.161 0.000 -11.124) 13.796 19.630 ( 0.364 0.000 -10.729) 10.735 19.819 ( -10.179 0.000 12.189) 15.880 19.973 ( 5.060 -0.000 1.293) 5.223 20.305 ( 0.594 -0.000 16.273) 16.284 20.468 ( 18.896 -0.000 -25.696) 31.896 20.686 ( 5.777 -0.000 9.433) 11.061 20.925 ( -1.742 0.000 -11.804) 11.932 21.291 ( 16.810 -0.000 8.291) 18.744 21.812 ( 3.920 0.000 -12.945) 13.526 22.007 ( -5.487 0.000 -1.933) 5.818 22.028 ( -3.082 0.000 0.472) 3.118 22.061 ( 1.848 0.000 -6.373) 6.635 22.139 ( 7.849 -0.000 -5.380) 9.515 22.267 ( 1.501 -0.000 6.627) 6.795 22.357 ( 0.349 -0.000 2.975) 2.995 22.508 ( -7.061 0.000 1.480) 7.214 22.855 ( 4.418 0.000 -8.772) 9.822 22.949 ( 2.593 -0.000 4.119) 4.867 23.034 ( -4.917 0.000 6.018) 7.771 23.235 ( 17.844 -0.000 -18.558) 25.746 23.550 ( -0.216 -0.000 4.631) 4.636 23.632 ( -9.534 0.000 -5.748) 11.133 23.876 ( -8.216 0.000 -3.951) 9.116 23.985 ( 2.537 -0.000 4.149) 4.863 24.109 ( 12.561 -0.000 -1.361) 12.635 24.479 ( 8.385 -0.000 18.309) 20.137 24.610 ( -1.519 -0.000 9.339) 9.462 25.083 ( 2.557 -0.000 -1.390) 2.910 25.108 ( -0.543 -0.000 17.202) 17.210 25.713 ( 5.544 -0.000 5.754) 7.990 25.963 ( -6.137 0.000 -0.587) 6.165 26.034 ( -8.632 0.000 6.039) 10.534 26.698 ( 8.087 -0.000 -13.587) 15.812 26.818 ( -0.210 0.000 -1.537) 1.551 28.133 ( -8.106 0.000 -2.248) 8.412 28.439 ( -3.023 0.000 -5.814) 6.553 28.491 ( -0.854 -0.000 7.354) 7.403 28.725 ( -3.693 0.000 -2.543) 4.484 29.414 ( 1.156 -0.000 -0.564) 1.286 29.570 ( 3.878 -0.000 2.377) 4.548 29.708 ( 1.443 -0.000 0.169) 1.453 29.789 ( -1.004 0.000 -8.465) 8.525 29.995 ( -1.222 0.000 1.078) 1.629 30.162 ( 1.005 0.000 -2.055) 2.287 30.787 ( 10.277 -0.000 2.462) 10.568 30.905 ( 7.804 -0.000 1.686) 7.984 31.194 ( -5.742 0.000 0.264) 5.748 31.322 ( -7.558 0.000 -0.834) 7.604 31.433 ( 12.216 -0.000 -6.327) 13.757 31.999 ( -6.628 0.000 5.117) 8.374 32.698 ( -0.448 -0.000 7.220) 7.234 32.759 ( -14.460 0.000 -2.822) 14.733 34.385 ( 0.283 0.000 -0.639) 0.699 34.858 ( 0.122 -0.000 1.806) 1.810 49.591 ( -0.531 0.000 -0.087) 0.538 50.050 ( 3.110 0.000 -11.353) 11.771 ======================= Grid point 64 (57/105) ======================= q-point: ( 0.28 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( 39.888 -0.465 -1.441) 39.917 5.705 ( 12.282 43.239 11.682) 46.443 6.197 ( -10.310 -11.455 1.727) 15.508 6.823 ( 11.224 9.642 -5.461) 15.772 7.018 ( 13.729 5.733 7.231) 16.542 7.129 ( -2.721 -7.630 -7.562) 11.082 7.243 ( 15.577 -16.911 18.840) 29.725 7.965 ( -12.523 2.096 -0.694) 12.716 8.272 ( 24.169 -9.621 -12.503) 28.862 9.132 ( 2.564 -13.053 -2.451) 13.527 10.014 ( -20.220 -7.432 -1.792) 21.617 10.319 ( -19.384 -3.880 -0.187) 19.770 11.126 ( -7.225 8.191 -18.197) 21.224 11.305 ( -14.488 -9.505 22.184) 28.150 11.692 ( 34.731 18.687 34.814) 52.607 12.071 ( 45.785 -11.307 -42.376) 63.402 12.836 ( 4.747 23.657 -2.553) 24.263 13.153 ( 9.739 15.699 -12.963) 22.568 13.208 ( 6.043 10.360 11.572) 16.666 13.545 ( 17.846 -10.353 3.431) 20.915 13.698 ( 19.347 -11.981 7.207) 23.870 14.212 ( 10.004 -26.572 0.194) 28.393 14.689 ( 11.971 -1.919 0.642) 12.141 15.029 ( -1.110 -1.634 -0.693) 2.093 15.391 ( 23.771 -0.954 -5.835) 24.496 16.062 ( -0.959 3.602 -0.254) 3.736 16.335 ( -3.807 -0.716 -0.806) 3.957 16.622 ( -5.243 12.951 -3.173) 14.328 16.988 ( -3.980 -10.158 -1.600) 11.026 17.066 ( -2.491 -6.804 7.812) 10.655 17.489 ( 5.950 26.525 1.734) 27.239 17.570 ( 0.746 0.748 3.594) 3.746 17.761 ( -10.828 -0.556 -3.834) 11.501 17.941 ( -3.796 3.320 -2.296) 5.541 18.074 ( -2.185 -19.233 0.155) 19.358 18.201 ( -10.374 14.368 3.305) 18.027 18.319 ( -9.331 -3.937 6.372) 11.965 18.518 ( -18.119 -4.743 -5.918) 19.642 18.742 ( -3.690 -11.809 -0.428) 12.380 18.947 ( 0.227 -5.647 0.147) 5.654 19.529 ( -10.185 8.207 -1.340) 13.149 19.663 ( -12.871 18.502 -0.636) 22.548 19.922 ( -1.021 21.164 -4.886) 21.745 20.252 ( 0.882 0.888 0.209) 1.269 20.346 ( 6.511 -0.135 -0.728) 6.553 20.593 ( 5.582 4.480 6.282) 9.523 20.659 ( -6.886 -20.309 -0.611) 21.454 21.068 ( -7.015 -13.760 -3.201) 15.773 21.351 ( 0.787 6.524 -1.886) 6.836 21.683 ( -0.593 -12.747 -0.671) 12.779 21.802 ( -7.654 -0.279 0.584) 7.682 21.864 ( -3.467 -2.708 1.625) 4.690 22.242 ( 0.342 -1.178 0.824) 1.478 22.339 ( -0.341 0.838 0.396) 0.988 22.375 ( -0.185 -0.977 -1.738) 2.003 22.574 ( -19.182 0.071 1.809) 19.267 22.708 ( 3.304 1.550 -2.270) 4.298 22.792 ( 4.511 -0.828 2.532) 5.239 22.929 ( -3.595 3.609 1.132) 5.218 23.041 ( -3.156 -3.536 -0.835) 4.812 23.589 ( 3.964 1.930 0.436) 4.430 23.646 ( 0.971 -0.709 1.313) 1.780 23.873 ( -2.090 3.310 2.833) 4.832 23.915 ( -6.151 -0.759 -2.855) 6.823 24.184 ( -5.986 4.649 -4.278) 8.703 24.253 ( 2.767 0.469 3.068) 4.159 24.558 ( -2.738 1.001 0.119) 2.918 24.755 ( -6.932 3.943 3.450) 8.689 24.978 ( 1.019 1.617 -7.417) 7.659 25.335 ( -1.996 -9.514 1.856) 9.897 26.228 ( 9.414 -0.363 -0.097) 9.422 26.338 ( 3.769 0.692 0.070) 3.833 26.767 ( 2.466 -0.099 0.044) 2.469 26.781 ( 0.695 0.047 0.009) 0.697 28.417 ( 2.675 0.157 -1.029) 2.871 28.426 ( 2.539 -0.211 0.854) 2.688 28.742 ( 9.360 -0.464 0.962) 9.420 28.993 ( 2.432 -0.054 0.255) 2.446 29.342 ( -4.181 1.197 0.012) 4.349 29.417 ( -6.271 3.647 -1.201) 7.353 29.677 ( -1.683 4.915 -2.117) 5.610 29.810 ( -2.178 -7.525 4.125) 8.854 30.154 ( 0.419 4.788 -3.276) 5.817 30.164 ( -0.693 0.898 1.976) 2.279 30.400 ( -6.618 -2.106 3.095) 7.603 30.444 ( -5.145 -2.632 -2.054) 6.133 31.200 ( -2.499 2.879 2.101) 4.353 31.276 ( 1.100 -5.092 -1.598) 5.449 31.791 ( 5.168 7.220 1.621) 9.026 31.949 ( 4.967 -9.441 -2.319) 10.917 32.853 ( 5.109 7.334 -2.464) 9.271 33.044 ( 3.805 -5.377 1.659) 6.792 34.547 ( 0.434 6.462 0.854) 6.533 34.686 ( -0.025 -6.009 -0.977) 6.088 49.698 ( 1.546 0.770 -0.029) 1.727 50.030 ( -9.346 0.620 2.162) 9.613 ======================= Grid point 66 (58/105) ======================= q-point: ( 0.28 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 0.000 11.283 26.867) 29.140 2.796 ( 0.000 15.460 44.219) 46.844 3.036 ( 0.000 14.277 116.200) 117.074 5.019 ( 0.000 108.188 1.996) 108.207 6.578 ( 0.000 1.424 8.064) 8.189 6.873 ( 0.000 5.475 -1.600) 5.704 7.160 ( -0.000 -4.673 -4.426) 6.437 8.043 ( -0.000 -3.540 -2.021) 4.077 8.397 ( -0.000 -7.709 4.200) 8.779 9.140 ( -0.000 -11.962 -54.836) 56.126 9.331 ( -0.000 -37.285 -9.712) 38.529 11.006 ( 0.000 18.215 15.000) 23.596 11.148 ( 0.000 32.419 6.544) 33.073 11.382 ( -0.000 -15.543 29.672) 33.496 12.060 ( 0.000 5.432 1.624) 5.669 12.423 ( -0.000 -33.071 2.364) 33.155 12.541 ( 0.000 1.525 5.262) 5.479 12.722 ( -0.000 -14.245 -14.227) 20.133 12.752 ( 0.000 24.449 -3.715) 24.729 13.095 ( -0.000 -3.348 2.612) 4.246 13.670 ( -0.000 -22.218 -21.038) 30.598 13.864 ( -0.000 -32.706 -12.936) 35.171 14.723 ( 0.000 11.357 -13.188) 17.404 14.842 ( -0.000 -0.156 -30.541) 30.541 15.898 ( -0.000 -14.991 -27.910) 31.681 16.041 ( 0.000 17.060 -13.892) 22.001 16.812 ( -0.000 -19.286 1.613) 19.353 16.838 ( -0.000 -10.685 3.757) 11.327 16.875 ( -0.000 -0.527 1.518) 1.607 16.979 ( 0.000 6.373 -0.518) 6.394 17.126 ( 0.000 13.055 8.541) 15.600 17.416 ( 0.000 24.378 -6.194) 25.153 17.798 ( 0.000 5.386 21.138) 21.814 17.962 ( -0.000 -13.929 2.206) 14.103 18.105 ( 0.000 5.347 1.107) 5.461 18.182 ( 0.000 20.395 -7.493) 21.727 18.489 ( 0.000 8.958 20.263) 22.155 18.592 ( 0.000 9.661 9.328) 13.429 18.845 ( -0.000 -2.716 11.293) 11.615 18.880 ( -0.000 -21.978 5.486) 22.652 19.599 ( 0.000 -1.477 9.066) 9.186 19.860 ( 0.000 30.758 -14.754) 34.113 20.180 ( 0.000 11.072 9.353) 14.493 20.320 ( 0.000 3.330 -16.172) 16.511 20.719 ( -0.000 -47.123 -1.019) 47.134 20.837 ( -0.000 -4.668 -7.998) 9.261 20.905 ( 0.000 9.812 5.376) 11.188 20.967 ( -0.000 -2.881 -4.076) 4.991 21.343 ( -0.000 -11.823 5.669) 13.112 21.405 ( -0.000 -10.057 8.989) 13.488 21.749 ( 0.000 -1.191 13.707) 13.759 21.898 ( -0.000 -3.867 11.030) 11.689 22.227 ( -0.000 -7.624 -1.658) 7.803 22.389 ( 0.000 4.193 -7.539) 8.626 22.489 ( 0.000 0.567 5.067) 5.098 22.704 ( 0.000 4.608 -9.532) 10.588 22.755 ( 0.000 1.565 2.736) 3.151 23.015 ( 0.000 0.760 18.642) 18.658 23.079 ( 0.000 1.357 -1.453) 1.988 23.145 ( 0.000 14.238 7.642) 16.160 23.275 ( 0.000 0.728 2.763) 2.858 23.577 ( -0.000 -2.925 -3.406) 4.489 23.795 ( 0.000 2.012 0.970) 2.234 24.057 ( -0.000 -8.845 -0.248) 8.848 24.658 ( 0.000 13.488 -8.761) 16.084 24.688 ( -0.000 -8.960 -21.571) 23.358 25.068 ( -0.000 2.138 -15.414) 15.561 25.082 ( 0.000 4.880 7.775) 9.179 25.390 ( -0.000 -3.835 -10.566) 11.241 25.619 ( -0.000 -14.234 -3.240) 14.599 25.811 ( -0.000 -2.685 -2.269) 3.515 26.177 ( 0.000 2.321 -10.273) 10.532 26.351 ( -0.000 -3.603 18.713) 19.057 26.737 ( 0.000 2.208 10.149) 10.386 28.102 ( 0.000 3.189 0.515) 3.230 28.293 ( 0.000 1.950 -3.757) 4.232 28.514 ( 0.000 0.933 -0.691) 1.161 28.796 ( 0.000 0.465 4.067) 4.094 29.480 ( 0.000 1.535 4.754) 4.995 29.641 ( -0.000 -0.626 -1.359) 1.497 29.746 ( 0.000 0.643 -0.879) 1.090 29.876 ( 0.000 0.408 0.454) 0.610 29.915 ( 0.000 7.649 0.317) 7.656 30.278 ( 0.000 5.035 -4.049) 6.461 30.778 ( -0.000 -7.439 -0.574) 7.461 30.864 ( -0.000 -6.083 0.177) 6.085 31.198 ( 0.000 8.591 3.046) 9.115 31.307 ( 0.000 0.542 1.314) 1.421 31.447 ( 0.000 3.274 4.349) 5.444 31.791 ( -0.000 -11.096 -3.789) 11.725 32.327 ( -0.000 -3.007 5.852) 6.579 32.933 ( 0.000 3.903 -4.031) 5.611 34.489 ( 0.000 4.769 0.479) 4.793 34.772 ( -0.000 -4.982 -1.793) 5.295 49.668 ( 0.000 0.080 1.335) 1.337 50.797 ( 0.000 10.682 -19.086) 21.871 ======================= Grid point 67 (59/105) ======================= q-point: (-0.32 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.567 ( 43.876 -54.162 0.000) 69.704 5.394 ( 28.814 4.547 0.000) 29.171 5.673 ( -14.995 -2.651 -0.000) 15.227 6.794 ( 16.773 9.390 0.000) 19.223 7.163 ( -11.037 -2.019 -0.000) 11.220 7.242 ( 13.523 -5.775 0.000) 14.704 7.409 ( 10.987 1.998 0.000) 11.167 7.754 ( 24.140 9.593 0.000) 25.976 9.233 ( -6.535 21.867 0.000) 22.822 9.545 ( -34.792 9.043 -0.000) 35.948 9.823 ( 24.777 11.882 0.000) 27.479 10.085 ( -7.627 17.648 -0.000) 19.226 10.785 ( 17.478 -7.358 0.000) 18.964 11.581 ( -12.208 -38.182 -0.000) 40.086 11.652 ( 2.835 -12.420 -0.000) 12.739 12.120 ( 15.354 -3.158 0.000) 15.675 12.510 ( -12.655 -7.509 -0.000) 14.715 12.905 ( -5.375 -14.421 -0.000) 15.390 13.416 ( 14.325 0.537 0.000) 14.335 13.919 ( -4.047 -20.263 -0.000) 20.663 13.932 ( -17.056 37.798 -0.000) 41.468 14.675 ( 2.081 11.602 0.000) 11.787 15.154 ( 25.673 5.550 0.000) 26.266 15.383 ( 15.981 41.729 0.000) 44.684 15.624 ( -48.995 2.591 -0.000) 49.064 16.087 ( -13.818 -1.209 -0.000) 13.871 16.288 ( 15.031 26.105 0.000) 30.123 16.858 ( 14.149 -12.928 0.000) 19.165 16.989 ( -2.738 -15.237 -0.000) 15.481 17.056 ( -5.107 -4.816 -0.000) 7.019 17.131 ( 2.411 7.687 0.000) 8.056 17.463 ( 1.188 -4.476 -0.000) 4.631 17.665 ( 5.609 -25.870 -0.000) 26.471 17.944 ( 7.295 -1.142 0.000) 7.384 17.953 ( 15.878 -16.291 0.000) 22.749 18.277 ( 9.225 -31.655 -0.000) 32.971 18.636 ( -17.165 7.522 -0.000) 18.741 18.784 ( 5.923 -1.289 0.000) 6.061 18.897 ( -12.613 -9.759 -0.000) 15.947 19.149 ( -3.222 5.499 -0.000) 6.373 19.286 ( -1.302 10.132 0.000) 10.215 19.445 ( 0.925 8.647 0.000) 8.696 19.636 ( -17.707 1.237 -0.000) 17.750 20.144 ( 3.522 5.181 0.000) 6.265 20.230 ( 6.471 3.984 0.000) 7.599 20.350 ( -3.533 7.481 -0.000) 8.273 20.454 ( -13.804 3.431 -0.000) 14.224 20.917 ( -4.678 -16.353 -0.000) 17.009 21.157 ( -7.842 6.522 -0.000) 10.200 21.381 ( 1.032 -5.016 -0.000) 5.121 21.844 ( 9.491 25.229 0.000) 26.955 21.899 ( -0.549 0.666 -0.000) 0.863 22.030 ( 6.145 -0.315 0.000) 6.153 22.312 ( 0.374 3.062 0.000) 3.085 22.507 ( 2.598 0.799 0.000) 2.718 22.508 ( 0.285 -3.093 -0.000) 3.106 22.813 ( 2.086 -3.417 0.000) 4.003 22.865 ( 0.753 -0.121 0.000) 0.763 22.911 ( -6.275 -0.293 -0.000) 6.282 23.177 ( -9.475 4.136 -0.000) 10.339 23.630 ( 2.513 2.027 0.000) 3.229 23.704 ( 3.436 -4.351 0.000) 5.545 23.723 ( -7.660 -3.994 -0.000) 8.639 23.916 ( 3.766 -6.048 0.000) 7.125 24.067 ( 3.815 -0.198 0.000) 3.820 24.105 ( -5.018 -1.924 -0.000) 5.374 24.566 ( 9.773 -9.462 0.000) 13.603 24.578 ( -13.851 3.030 -0.000) 14.179 24.899 ( -9.473 3.670 -0.000) 10.159 25.549 ( -2.504 8.670 0.000) 9.024 26.400 ( 4.890 -0.320 0.000) 4.901 26.461 ( -2.514 -0.494 -0.000) 2.562 26.657 ( 6.384 -0.149 0.000) 6.386 26.711 ( -1.643 -0.785 -0.000) 1.820 28.329 ( 5.657 -2.450 0.000) 6.164 28.564 ( -2.953 0.947 -0.000) 3.102 29.014 ( 4.612 4.949 0.000) 6.765 29.100 ( 2.258 3.702 0.000) 4.336 29.332 ( -3.363 -10.337 -0.000) 10.870 29.383 ( -1.911 -2.700 -0.000) 3.307 29.556 ( 1.071 2.115 0.000) 2.371 29.638 ( 2.854 2.195 0.000) 3.601 29.968 ( -6.917 -5.004 -0.000) 8.537 30.007 ( 3.596 -0.068 0.000) 3.596 30.360 ( -2.811 -0.754 -0.000) 2.910 30.540 ( -0.766 2.656 0.000) 2.765 31.063 ( 3.746 -2.313 0.000) 4.403 31.470 ( -0.001 6.074 0.000) 6.074 31.752 ( 3.729 -3.925 0.000) 5.413 32.247 ( -2.042 8.412 0.000) 8.656 32.786 ( -3.939 -7.669 -0.000) 8.621 33.184 ( 2.396 5.258 0.000) 5.778 34.431 ( 0.845 -5.381 -0.000) 5.447 34.825 ( -1.240 4.140 0.000) 4.322 49.773 ( -3.013 -4.395 -0.000) 5.329 49.776 ( 7.839 0.014 0.000) 7.839 ======================= Grid point 68 (60/105) ======================= q-point: (-0.32 -0.34 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( -42.400 -1.178 1.674) 42.449 4.978 ( -17.768 -38.863 -24.175) 49.096 5.645 ( -29.166 7.412 49.125) 57.609 6.701 ( 8.606 7.729 -2.624) 11.861 6.917 ( -2.914 4.111 -1.004) 5.138 7.143 ( -19.648 0.916 3.312) 19.946 7.834 ( -11.516 9.788 4.414) 15.745 7.942 ( -7.825 1.917 -27.303) 28.467 8.189 ( -6.938 -2.110 -18.566) 19.932 9.101 ( -28.001 7.600 31.921) 43.137 9.551 ( -26.641 22.193 14.383) 37.538 10.801 ( 6.756 -2.712 0.395) 7.291 10.964 ( 42.295 9.698 2.537) 43.466 11.257 ( 12.039 -7.128 -15.476) 20.863 11.769 ( -1.668 -14.061 -23.809) 27.701 12.112 ( -0.214 -2.415 11.196) 11.455 12.261 ( -5.940 -13.148 5.535) 15.453 12.341 ( 4.524 4.969 0.095) 6.720 12.932 ( -16.165 -4.404 2.032) 16.877 13.507 ( -9.876 9.225 -2.983) 13.840 13.965 ( -16.145 -0.196 -6.783) 17.513 14.256 ( -14.108 11.988 -8.543) 20.390 14.651 ( -36.361 13.520 -3.078) 38.915 14.848 ( -1.792 -12.913 9.886) 16.362 15.074 ( 4.090 14.161 -7.765) 16.660 15.569 ( -23.373 -17.865 2.866) 29.558 16.444 ( 3.783 -4.629 -7.727) 9.769 16.851 ( 0.640 -9.873 -2.976) 10.331 16.932 ( 10.514 6.174 -8.165) 14.674 17.268 ( -3.507 -2.692 3.504) 5.641 17.363 ( 0.190 0.307 -7.525) 7.534 17.508 ( 5.518 -0.244 -13.038) 14.160 17.869 ( 10.622 2.496 11.061) 15.537 17.968 ( -8.275 7.182 -0.087) 10.958 18.050 ( 3.400 -5.664 -7.432) 9.944 18.479 ( 4.016 -38.438 -1.671) 38.683 18.612 ( 6.837 12.244 1.545) 14.108 18.687 ( 2.579 4.685 -2.338) 5.837 18.958 ( 19.785 -2.149 2.947) 20.118 18.998 ( -2.331 9.553 -0.680) 9.857 19.449 ( -6.147 9.336 11.296) 15.891 19.605 ( 7.783 5.682 15.543) 18.288 19.872 ( 5.473 -8.257 8.460) 13.027 19.973 ( 3.391 -1.165 2.981) 4.663 20.230 ( -6.073 -7.571 -6.936) 11.929 20.618 ( 16.871 -2.992 2.143) 17.267 20.814 ( 6.961 -11.052 12.072) 17.786 21.117 ( 8.541 1.565 -4.849) 9.945 21.502 ( -1.397 0.840 20.601) 20.666 21.793 ( 2.199 8.095 4.743) 9.636 21.987 ( -2.536 6.597 -2.090) 7.370 22.003 ( -0.676 12.095 2.905) 12.458 22.218 ( -2.814 6.488 0.439) 7.086 22.245 ( -0.416 -2.357 2.312) 3.327 22.395 ( 3.288 0.940 -3.964) 5.235 22.561 ( 0.043 0.360 -3.242) 3.263 22.791 ( -5.110 -0.483 -4.886) 7.087 23.051 ( 12.825 3.147 0.476) 13.214 23.098 ( 10.395 -0.774 0.215) 10.426 23.279 ( 8.112 2.960 -2.237) 8.920 23.511 ( -2.920 -5.725 -7.051) 9.540 23.656 ( -4.162 3.316 -0.007) 5.321 23.765 ( -6.198 -2.082 6.200) 9.010 23.840 ( 4.266 -7.362 -0.144) 8.510 24.233 ( 4.069 -6.399 -7.432) 10.618 24.404 ( 10.187 -5.628 -4.980) 12.659 24.516 ( -4.682 4.711 0.620) 6.671 24.873 ( 8.647 -3.879 -5.502) 10.959 24.967 ( 9.369 0.435 1.558) 9.507 25.530 ( -1.427 6.621 -0.116) 6.774 26.010 ( -9.366 -0.317 2.118) 9.608 26.235 ( -6.447 -1.386 -3.694) 7.558 26.550 ( -2.740 -0.034 10.766) 11.109 26.878 ( 2.216 0.625 -0.167) 2.309 28.318 ( -3.131 0.160 -0.085) 3.136 28.408 ( -6.142 0.852 -2.753) 6.785 28.699 ( -4.181 4.014 -3.912) 6.993 28.962 ( -3.110 1.733 -0.529) 3.599 29.276 ( 1.422 -10.156 2.606) 10.581 29.468 ( 4.699 -0.408 -1.923) 5.094 29.671 ( 2.944 0.171 -0.514) 2.993 29.852 ( -2.443 -3.115 9.779) 10.549 30.126 ( 4.386 4.190 -6.014) 8.541 30.289 ( 4.757 -2.148 -5.012) 7.237 30.526 ( 6.850 -0.650 1.218) 6.987 30.691 ( 5.789 8.024 -1.083) 9.953 31.233 ( -4.122 0.317 2.245) 4.705 31.348 ( 7.220 0.977 -1.791) 7.503 31.593 ( -7.024 -5.100 -2.038) 8.916 31.914 ( -8.825 7.394 3.587) 12.059 32.508 ( -6.251 -6.734 5.402) 10.659 33.074 ( -5.347 2.623 -2.907) 6.627 34.478 ( 0.822 -4.062 -2.065) 4.630 34.741 ( -0.757 3.363 1.682) 3.836 49.660 ( -0.826 -1.010 -0.582) 1.428 50.386 ( 12.400 1.299 -9.469) 15.656 ======================= Grid point 74 (61/105) ======================= q-point: ( 0.47 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.447 ( -40.520 -6.915 -0.000) 41.105 5.501 ( -62.113 9.459 -0.000) 62.829 6.269 ( 2.406 -23.841 -0.000) 23.962 6.522 ( 11.266 -13.270 0.000) 17.408 6.666 ( -14.655 53.270 0.000) 55.249 7.270 ( -5.279 15.346 0.000) 16.229 7.484 ( -2.131 7.133 0.000) 7.444 7.746 ( 9.632 2.579 0.000) 9.971 8.746 ( 3.985 -16.233 -0.000) 16.715 8.775 ( -64.703 23.287 -0.000) 68.766 9.634 ( 10.664 4.777 0.000) 11.685 10.275 ( 27.603 -1.120 0.000) 27.626 11.005 ( 8.381 6.848 0.000) 10.824 11.210 ( -16.794 -16.311 -0.000) 23.411 12.031 ( -10.395 5.187 -0.000) 11.617 12.509 ( 2.431 -30.919 -0.000) 31.015 12.521 ( -4.924 -3.382 -0.000) 5.974 12.872 ( 15.472 -14.542 0.000) 21.234 13.186 ( -20.764 -9.880 -0.000) 22.995 13.582 ( -21.503 10.651 -0.000) 23.996 14.198 ( -5.801 13.877 -0.000) 15.041 14.326 ( 4.056 12.544 0.000) 13.184 14.651 ( 4.676 4.663 0.000) 6.604 14.877 ( -6.653 7.540 -0.000) 10.056 15.016 ( -12.718 -23.238 -0.000) 26.490 16.299 ( 7.164 -4.619 0.000) 8.524 16.619 ( 11.291 5.577 0.000) 12.593 16.738 ( 2.850 20.323 0.000) 20.522 17.014 ( -2.275 0.473 -0.000) 2.324 17.262 ( 2.457 -13.192 -0.000) 13.419 17.674 ( -2.620 5.570 -0.000) 6.155 17.816 ( 15.622 2.408 0.000) 15.807 18.005 ( 4.179 -4.827 0.000) 6.384 18.092 ( -10.674 2.469 -0.000) 10.956 18.165 ( -1.723 12.550 0.000) 12.667 18.270 ( 6.056 -4.780 0.000) 7.715 18.549 ( -6.608 7.637 -0.000) 10.099 18.687 ( 4.626 -7.193 0.000) 8.552 18.705 ( -8.770 2.503 -0.000) 9.121 19.037 ( -11.888 13.184 -0.000) 17.753 19.428 ( 15.747 -8.102 0.000) 17.710 19.447 ( -18.120 -12.935 -0.000) 22.263 19.516 ( 0.473 -47.998 -0.000) 48.000 19.855 ( 7.816 -4.322 0.000) 8.931 20.079 ( 6.440 8.106 0.000) 10.353 20.242 ( 0.204 -8.655 -0.000) 8.658 20.582 ( 13.056 -4.602 0.000) 13.843 20.859 ( 6.393 26.367 0.000) 27.131 21.225 ( -0.120 -11.738 -0.000) 11.738 21.520 ( -0.841 12.294 0.000) 12.323 21.757 ( -1.316 4.482 0.000) 4.671 21.843 ( 5.175 4.285 0.000) 6.719 22.028 ( -7.412 9.527 -0.000) 12.070 22.303 ( 7.262 0.074 0.000) 7.263 22.456 ( -3.034 -1.392 -0.000) 3.338 22.601 ( 3.809 1.495 0.000) 4.092 22.911 ( -0.067 1.852 0.000) 1.853 23.009 ( 5.895 2.018 0.000) 6.231 23.015 ( 0.400 -2.106 -0.000) 2.144 23.192 ( 11.725 -5.032 0.000) 12.759 23.576 ( 2.122 -0.995 0.000) 2.344 23.794 ( -13.020 4.446 -0.000) 13.759 23.896 ( -1.463 1.036 -0.000) 1.792 24.093 ( 16.635 0.579 0.000) 16.646 24.152 ( 7.617 4.295 0.000) 8.745 24.349 ( 4.370 -10.347 0.000) 11.232 24.373 ( -0.934 6.899 0.000) 6.962 24.555 ( 9.652 -9.856 0.000) 13.795 25.114 ( 6.221 -14.771 0.000) 16.028 25.321 ( 1.767 11.791 0.000) 11.923 26.246 ( -8.414 -2.527 -0.000) 8.785 26.458 ( -6.013 0.587 -0.000) 6.041 26.522 ( -4.240 -0.148 -0.000) 4.243 26.730 ( -2.275 0.243 -0.000) 2.288 28.363 ( -4.229 3.775 -0.000) 5.669 28.583 ( 3.960 -1.663 0.000) 4.295 28.826 ( -8.890 1.475 -0.000) 9.011 28.905 ( -7.079 1.771 -0.000) 7.297 29.429 ( 0.239 -3.822 -0.000) 3.830 29.467 ( 4.125 -0.545 0.000) 4.161 29.609 ( 2.970 -0.860 0.000) 3.092 29.812 ( -4.840 -7.374 -0.000) 8.821 29.889 ( 11.226 8.782 0.000) 14.253 30.270 ( 8.270 0.378 0.000) 8.279 30.452 ( 4.354 -3.545 0.000) 5.615 30.502 ( 0.938 7.070 0.000) 7.132 31.186 ( -3.736 6.265 -0.000) 7.295 31.304 ( 3.924 -1.840 0.000) 4.334 31.867 ( -8.378 7.803 -0.000) 11.449 31.883 ( -2.714 -9.043 -0.000) 9.441 32.741 ( -8.504 -10.706 -0.000) 13.673 33.097 ( -0.778 6.013 0.000) 6.063 34.606 ( 1.574 -7.089 -0.000) 7.262 34.658 ( -2.013 6.053 0.000) 6.379 49.692 ( -2.040 0.330 -0.000) 2.066 50.210 ( 15.853 5.877 0.000) 16.907 ======================= Grid point 75 (62/105) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.000 -0.299 0.868) 0.918 4.625 ( 0.000 19.449 75.634) 78.095 5.347 ( -0.000 -7.908 40.798) 41.558 5.729 ( -0.000 -9.894 26.596) 28.377 6.663 ( 0.000 3.527 -6.603) 7.486 6.816 ( 0.000 7.568 -5.424) 9.311 7.434 ( -0.000 -10.937 -60.327) 61.310 7.982 ( 0.000 54.196 21.760) 58.402 8.162 ( -0.000 -0.990 -9.682) 9.732 8.282 ( -0.000 -7.414 7.071) 10.245 8.826 ( -0.000 -5.979 3.668) 7.015 11.219 ( -0.000 0.473 -61.942) 61.944 11.416 ( -0.000 -26.891 8.004) 28.057 11.946 ( 0.000 12.181 10.496) 16.079 11.978 ( 0.000 3.931 7.943) 8.862 12.042 ( 0.000 15.601 11.512) 19.389 12.246 ( -0.000 -3.887 -5.666) 6.871 12.474 ( -0.000 -20.573 -14.908) 25.407 12.872 ( -0.000 -5.968 15.762) 16.854 12.960 ( 0.000 11.594 -1.774) 11.729 13.284 ( 0.000 12.714 1.891) 12.853 13.499 ( -0.000 -7.444 -1.091) 7.524 14.152 ( -0.000 0.315 -33.203) 33.204 14.785 ( 0.000 20.853 -11.152) 23.648 15.263 ( -0.000 -24.662 3.202) 24.869 15.625 ( -0.000 -31.833 -5.161) 32.249 16.703 ( -0.000 -7.803 -0.598) 7.825 16.824 ( 0.000 13.506 -2.291) 13.698 16.987 ( 0.000 0.245 7.175) 7.179 17.128 ( 0.000 13.297 -4.770) 14.127 17.307 ( -0.000 -4.749 -0.025) 4.749 17.632 ( 0.000 16.902 -13.810) 21.827 17.709 ( -0.000 -11.971 4.329) 12.730 18.178 ( -0.000 -1.480 -9.579) 9.692 18.349 ( 0.000 23.176 -4.597) 23.628 18.448 ( -0.000 -14.037 0.465) 14.045 18.457 ( 0.000 8.145 26.566) 27.787 18.874 ( 0.000 7.534 1.460) 7.674 19.007 ( 0.000 11.788 7.104) 13.763 19.038 ( -0.000 -8.671 9.930) 13.182 19.564 ( -0.000 -55.153 -0.147) 55.153 19.752 ( 0.000 4.571 -7.710) 8.963 19.944 ( -0.000 -3.457 -4.015) 5.299 20.224 ( 0.000 2.875 11.067) 11.435 20.489 ( -0.000 -8.515 -6.255) 10.565 20.735 ( 0.000 28.785 -3.133) 28.955 21.050 ( 0.000 0.364 6.966) 6.976 21.319 ( 0.000 18.809 1.388) 18.860 21.330 ( -0.000 -6.399 8.147) 10.360 21.518 ( -0.000 -6.861 17.686) 18.970 21.959 ( 0.000 0.200 6.574) 6.578 22.038 ( -0.000 -4.122 -1.434) 4.364 22.079 ( -0.000 -2.612 9.753) 10.097 22.320 ( 0.000 2.456 -5.697) 6.204 22.568 ( 0.000 3.106 -10.208) 10.670 22.626 ( 0.000 1.255 3.535) 3.751 22.752 ( -0.000 -5.930 0.899) 5.997 23.152 ( 0.000 4.786 -0.665) 4.831 23.350 ( -0.000 -0.479 -0.572) 0.746 23.419 ( -0.000 -4.084 20.584) 20.985 23.454 ( -0.000 -2.814 6.093) 6.712 23.567 ( 0.000 11.751 7.315) 13.842 23.870 ( 0.000 2.515 3.732) 4.500 23.955 ( -0.000 -5.490 2.895) 6.206 24.019 ( -0.000 -6.762 -19.905) 21.022 24.551 ( -0.000 -2.508 -13.296) 13.530 24.709 ( -0.000 2.122 -23.682) 23.776 25.096 ( -0.000 -1.082 -8.661) 8.728 25.290 ( -0.000 -11.267 -2.587) 11.560 25.380 ( 0.000 9.620 4.013) 10.423 25.754 ( -0.000 -1.203 0.138) 1.211 26.046 ( 0.000 1.158 -5.551) 5.670 26.633 ( -0.000 -3.921 14.330) 14.856 26.934 ( 0.000 2.824 3.678) 4.637 28.176 ( 0.000 2.936 -3.233) 4.367 28.207 ( -0.000 -0.185 0.294) 0.347 28.542 ( 0.000 3.700 -2.657) 4.556 28.889 ( 0.000 0.457 2.105) 2.154 29.514 ( -0.000 -9.718 5.845) 11.341 29.603 ( -0.000 -0.434 -1.113) 1.194 29.734 ( 0.000 0.465 -1.124) 1.216 29.840 ( -0.000 -5.823 6.083) 8.421 30.091 ( 0.000 11.188 -8.973) 14.342 30.283 ( 0.000 6.607 -4.491) 7.988 30.667 ( -0.000 -1.688 1.168) 2.053 30.804 ( -0.000 -0.304 -0.048) 0.308 31.314 ( -0.000 -3.334 1.750) 3.765 31.455 ( 0.000 8.548 4.601) 9.707 31.503 ( -0.000 -8.908 -4.191) 9.844 31.575 ( 0.000 2.948 2.128) 3.636 32.413 ( -0.000 -3.662 8.277) 9.051 32.878 ( 0.000 2.619 -6.929) 7.408 34.556 ( -0.000 -1.287 -1.145) 1.723 34.675 ( 0.000 1.026 0.325) 1.076 49.681 ( -0.000 -1.651 0.998) 1.929 50.632 ( 0.000 4.455 -12.417) 13.192 ======================= Grid point 76 (63/105) ======================= q-point: (-0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.460 ( 39.204 3.769 4.139) 39.601 5.476 ( 18.693 -61.221 -9.716) 64.744 5.938 ( 21.037 -4.369 -25.162) 33.088 6.628 ( 16.940 8.239 -2.836) 19.049 6.786 ( -1.416 -5.737 -10.161) 11.754 7.149 ( 7.909 1.064 0.961) 8.038 7.295 ( -3.473 3.541 4.220) 6.512 7.923 ( -13.267 -1.510 -4.145) 13.981 8.864 ( 17.701 23.730 26.755) 39.903 9.191 ( -6.630 10.161 6.127) 13.592 9.922 ( 26.131 4.519 -24.961) 36.419 10.289 ( -14.758 5.108 7.652) 17.391 10.810 ( 2.873 2.663 -17.526) 17.959 11.097 ( -3.583 -6.327 -14.754) 16.448 11.517 ( -1.990 -10.463 16.867) 19.948 12.739 ( 1.136 -21.052 1.217) 21.118 12.800 ( 9.274 14.303 7.930) 18.800 13.039 ( 1.915 3.120 -1.624) 4.005 13.332 ( 15.973 -21.826 2.889) 27.200 13.525 ( 20.023 4.436 0.981) 20.532 13.655 ( 20.584 7.206 6.400) 22.728 14.250 ( 12.509 24.816 2.724) 27.924 14.756 ( 14.239 2.478 5.226) 15.368 15.024 ( -2.219 -4.660 -6.022) 7.931 15.439 ( 17.420 13.538 0.870) 22.080 16.141 ( -4.391 -3.745 8.115) 9.958 16.479 ( -3.109 7.507 11.405) 14.003 16.694 ( -11.615 -15.883 2.421) 19.825 16.845 ( 1.738 16.772 -8.910) 19.071 17.182 ( -16.106 -3.654 1.476) 16.581 17.276 ( 7.231 -9.541 3.047) 12.354 17.477 ( -0.323 -14.023 -6.306) 15.379 17.767 ( -0.233 -6.659 0.881) 6.721 17.991 ( -4.309 -13.793 -3.049) 14.768 18.102 ( 0.940 19.006 2.999) 19.264 18.183 ( -5.446 -11.004 -1.092) 12.326 18.316 ( -1.952 3.434 7.007) 8.043 18.600 ( -6.334 7.526 2.547) 10.161 18.877 ( -2.590 9.488 9.670) 13.793 19.000 ( -4.927 7.242 1.805) 8.943 19.439 ( -6.778 -0.667 -2.972) 7.431 19.782 ( -8.798 -39.597 2.966) 40.671 20.019 ( -1.062 -6.053 -16.362) 17.478 20.041 ( -13.410 1.498 2.995) 13.822 20.284 ( 13.822 7.156 -2.473) 15.759 20.487 ( -10.076 -3.952 -3.072) 11.251 20.641 ( -1.292 23.758 -2.752) 23.952 21.075 ( -6.272 7.361 -5.763) 11.257 21.353 ( 0.917 2.910 1.017) 3.216 21.581 ( -1.829 8.199 -7.186) 11.055 21.841 ( -2.826 2.150 -0.967) 3.680 21.922 ( 1.943 -2.081 3.074) 4.190 22.195 ( -10.217 0.615 -16.979) 19.826 22.240 ( 1.358 -0.537 4.553) 4.781 22.307 ( -1.106 -0.763 -2.058) 2.458 22.512 ( -3.527 -0.648 -0.184) 3.591 22.762 ( -2.324 0.076 2.897) 3.715 22.887 ( 5.339 -0.845 5.945) 8.035 22.937 ( -3.870 -5.983 2.402) 7.520 23.088 ( -5.835 5.147 4.706) 9.093 23.587 ( -4.480 0.079 -4.476) 6.333 23.606 ( 6.258 -4.469 2.074) 7.965 23.843 ( -1.749 -0.612 0.360) 1.888 23.968 ( -9.835 -1.015 2.312) 10.154 24.202 ( -1.098 -3.982 0.491) 4.160 24.336 ( 4.838 1.395 5.636) 7.558 24.523 ( -3.532 -8.506 -3.234) 9.762 24.695 ( -10.572 5.891 -2.131) 12.289 25.146 ( -1.870 -3.224 6.483) 7.478 25.303 ( -2.661 11.885 -0.452) 12.188 26.214 ( 8.220 0.224 -0.356) 8.231 26.351 ( 3.470 -0.437 1.333) 3.743 26.639 ( 5.841 0.028 -6.327) 8.611 26.845 ( -0.211 -0.246 0.564) 0.650 28.375 ( 3.565 -0.871 -2.645) 4.524 28.484 ( 1.150 1.105 3.774) 4.098 28.734 ( 9.771 -1.090 0.346) 9.837 28.991 ( 3.537 -0.167 -0.058) 3.542 29.375 ( -4.519 -1.087 2.661) 5.355 29.462 ( -5.852 -1.419 3.026) 6.739 29.691 ( -3.245 -5.345 -2.515) 6.740 29.701 ( -0.799 4.057 -3.745) 5.579 30.057 ( 0.859 -1.799 -4.998) 5.381 30.270 ( 1.755 -4.930 3.172) 6.119 30.341 ( -8.315 3.270 -1.283) 9.026 30.491 ( -5.954 2.595 2.208) 6.860 31.152 ( -1.266 -3.503 -2.501) 4.486 31.310 ( 0.621 4.584 1.676) 4.920 31.762 ( 6.185 -6.589 -1.131) 9.108 32.001 ( 3.621 10.014 2.553) 10.950 32.899 ( 4.109 -3.832 1.870) 5.921 33.009 ( 4.123 3.936 -1.587) 5.917 34.536 ( 0.858 -6.677 -0.296) 6.738 34.709 ( -0.489 6.435 1.132) 6.552 49.695 ( 1.874 -0.626 -0.349) 2.006 50.013 ( -9.255 -5.470 0.485) 10.762 ======================= Grid point 77 (64/105) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( -43.145 0.000 5.640) 43.512 3.755 ( -26.689 0.000 -43.115) 50.707 6.372 ( -19.105 0.000 -54.597) 57.844 6.557 ( -8.297 -0.000 16.225) 18.223 6.899 ( -3.735 0.000 -8.914) 9.664 7.129 ( 6.439 -0.000 -5.347) 8.369 7.328 ( -7.975 -0.000 23.710) 25.015 8.029 ( 6.267 -0.000 0.782) 6.315 8.186 ( -21.217 0.000 15.204) 26.102 9.442 ( -41.243 0.000 -34.312) 53.649 10.283 ( -11.053 0.000 -34.336) 36.072 10.584 ( -40.231 0.000 68.976) 79.852 10.744 ( 1.831 0.000 -8.734) 8.924 11.316 ( 39.413 -0.000 9.313) 40.498 11.388 ( 9.283 -0.000 -5.865) 10.981 12.151 ( 30.256 -0.000 -7.018) 31.059 12.188 ( 5.082 -0.000 6.142) 7.972 12.692 ( -4.250 -0.000 17.210) 17.727 12.832 ( -10.687 0.000 -6.626) 12.575 13.487 ( -2.270 0.000 -2.104) 3.095 13.979 ( -20.193 0.000 7.708) 21.614 14.236 ( -16.839 0.000 -4.418) 17.409 14.603 ( -42.218 0.000 -6.970) 42.789 15.086 ( -9.953 0.000 -9.060) 13.459 15.125 ( -0.829 -0.000 21.333) 21.349 15.694 ( -22.570 0.000 18.025) 28.884 16.238 ( 5.986 -0.000 -3.201) 6.789 16.623 ( 6.231 -0.000 -0.465) 6.248 16.867 ( 7.206 -0.000 -4.904) 8.716 17.012 ( 1.402 0.000 -14.407) 14.475 17.288 ( -0.212 0.000 -4.053) 4.059 17.564 ( 3.322 -0.000 12.194) 12.639 17.773 ( 4.164 0.000 -9.995) 10.827 17.985 ( 12.017 -0.000 -6.105) 13.479 18.016 ( -4.498 0.000 -3.590) 5.755 18.276 ( 3.017 -0.000 17.338) 17.599 18.615 ( -3.823 0.000 -10.861) 11.514 18.697 ( -2.555 0.000 -1.031) 2.755 18.789 ( 7.212 -0.000 -10.369) 12.631 19.298 ( 14.307 -0.000 11.542) 18.382 19.737 ( 6.227 -0.000 -3.724) 7.255 19.824 ( 7.979 -0.000 -2.232) 8.285 19.954 ( 0.621 -0.000 14.087) 14.101 20.023 ( -11.616 0.000 5.843) 13.003 20.228 ( 4.614 -0.000 10.613) 11.573 20.441 ( 23.958 -0.000 -16.378) 29.021 20.804 ( 9.466 -0.000 5.962) 11.187 21.089 ( 6.564 -0.000 0.060) 6.564 21.858 ( 2.536 -0.000 10.181) 10.492 21.906 ( 2.961 -0.000 -0.701) 3.043 21.953 ( 2.946 -0.000 -1.214) 3.186 22.171 ( -3.026 0.000 -3.459) 4.596 22.280 ( -2.047 0.000 -6.158) 6.489 22.341 ( -3.105 0.000 3.050) 4.352 22.356 ( 0.461 -0.000 0.495) 0.677 22.580 ( -8.317 0.000 4.451) 9.433 22.710 ( -2.915 0.000 1.659) 3.354 22.940 ( 8.449 -0.000 -8.000) 11.635 23.131 ( 25.371 -0.000 -8.923) 26.894 23.170 ( -6.883 0.000 -5.596) 8.871 23.391 ( 5.751 -0.000 4.307) 7.185 23.669 ( 1.946 -0.000 1.071) 2.221 23.808 ( 4.903 -0.000 1.627) 5.166 23.938 ( -1.214 0.000 -3.801) 3.990 24.016 ( 3.285 -0.000 10.166) 10.683 24.245 ( 0.041 0.000 -2.328) 2.329 24.550 ( 5.687 -0.000 -3.820) 6.851 24.880 ( -2.569 -0.000 8.714) 9.084 24.992 ( 5.544 -0.000 1.188) 5.669 25.597 ( -0.095 -0.000 0.608) 0.615 26.103 ( -9.047 0.000 4.762) 10.224 26.133 ( -7.384 0.000 -3.512) 8.177 26.751 ( -0.583 -0.000 7.416) 7.438 26.798 ( 3.524 0.000 -7.821) 8.578 28.332 ( -6.178 0.000 -0.154) 6.180 28.395 ( -2.314 0.000 1.966) 3.036 28.639 ( -4.908 0.000 -5.175) 7.132 28.881 ( -4.740 0.000 -4.364) 6.443 29.292 ( 3.534 -0.000 5.525) 6.559 29.443 ( 5.164 -0.000 0.281) 5.172 29.667 ( 2.279 -0.000 0.123) 2.283 29.994 ( -3.054 -0.000 5.254) 6.077 30.014 ( 0.082 0.000 -8.848) 8.848 30.168 ( 4.012 -0.000 -3.639) 5.416 30.541 ( 9.385 -0.000 1.515) 9.506 30.740 ( 8.345 -0.000 -1.275) 8.442 31.283 ( -6.752 0.000 1.802) 6.988 31.307 ( 9.578 -0.000 -3.058) 10.054 31.513 ( -8.163 0.000 -1.275) 8.262 32.071 ( -8.948 0.000 3.674) 9.673 32.569 ( -2.058 -0.000 6.767) 7.073 33.039 ( -8.230 0.000 -2.559) 8.619 34.401 ( 0.382 0.000 -1.427) 1.478 34.815 ( -0.107 -0.000 2.015) 2.018 49.624 ( -1.368 0.000 -1.057) 1.729 50.174 ( 8.418 -0.000 -10.620) 13.551 ======================= Grid point 79 (65/105) ======================= q-point: (-0.14 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( 48.415 -0.000 11.708) 49.810 5.388 ( 29.365 -0.000 -4.412) 29.694 5.687 ( -17.545 0.000 3.596) 17.910 6.909 ( 12.715 -0.000 0.700) 12.734 7.080 ( 20.408 -0.000 -6.353) 21.374 7.188 ( -8.692 0.000 4.076) 9.600 7.453 ( 12.095 -0.000 1.783) 12.225 7.789 ( 22.801 -0.000 -2.346) 22.921 9.549 ( -49.589 0.000 -8.601) 50.329 9.553 ( -0.951 -0.000 6.852) 6.917 10.307 ( -24.665 0.000 -2.567) 24.799 10.380 ( 48.873 -0.000 30.535) 57.627 10.782 ( -17.306 0.000 -3.213) 17.602 10.893 ( 11.289 -0.000 -9.403) 14.692 11.566 ( 9.831 -0.000 11.512) 15.139 11.892 ( 9.696 -0.000 -12.271) 15.639 12.246 ( 3.374 0.000 -26.871) 27.082 12.677 ( 1.100 -0.000 13.043) 13.089 13.594 ( -2.089 0.000 -5.518) 5.900 14.150 ( 0.336 -0.000 39.983) 39.984 14.477 ( -22.682 0.000 6.624) 23.629 14.668 ( -7.117 0.000 -1.074) 7.198 15.085 ( 33.081 -0.000 -8.999) 34.283 15.644 ( -13.461 0.000 -12.751) 18.542 15.986 ( -43.177 0.000 -1.028) 43.190 16.052 ( 28.157 -0.000 3.430) 28.365 16.349 ( 1.596 -0.000 0.052) 1.597 16.530 ( 5.406 0.000 -11.882) 13.054 16.940 ( 5.977 0.000 -17.879) 18.852 17.013 ( 1.036 -0.000 8.008) 8.075 17.053 ( 9.942 -0.000 1.167) 10.010 17.438 ( 0.053 -0.000 0.020) 0.056 17.559 ( 13.223 -0.000 -11.750) 17.689 17.561 ( -3.312 -0.000 10.955) 11.444 17.796 ( 4.572 0.000 -10.251) 11.224 18.042 ( 8.337 -0.000 10.445) 13.364 18.564 ( -7.051 0.000 -1.510) 7.211 18.731 ( -16.235 0.000 -11.044) 19.636 19.069 ( -0.737 -0.000 14.255) 14.274 19.167 ( -4.007 0.000 -6.158) 7.347 19.502 ( 6.303 -0.000 -4.999) 8.045 19.589 ( 7.449 -0.000 12.071) 14.185 19.645 ( -26.095 0.000 -2.452) 26.210 19.774 ( 12.336 -0.000 -20.541) 23.961 19.921 ( -15.165 0.000 -10.067) 18.203 20.655 ( 1.090 -0.000 4.585) 4.713 20.716 ( -5.674 0.000 4.141) 7.024 20.730 ( -7.981 0.000 3.264) 8.623 21.302 ( -13.370 0.000 16.661) 21.363 21.577 ( 3.528 -0.000 15.724) 16.115 21.922 ( -0.333 -0.000 2.185) 2.211 22.009 ( 6.194 -0.000 -2.188) 6.569 22.275 ( 6.054 -0.000 0.370) 6.065 22.331 ( 5.575 -0.000 5.698) 7.972 22.375 ( 3.040 -0.000 -4.393) 5.343 22.467 ( 1.981 -0.000 -2.673) 3.327 22.748 ( 1.410 0.000 -2.681) 3.029 22.877 ( 2.896 -0.000 0.500) 2.939 22.927 ( -4.204 0.000 1.222) 4.378 23.223 ( -10.279 0.000 -0.415) 10.288 23.543 ( 0.727 0.000 -4.491) 4.549 23.572 ( 4.033 -0.000 -5.227) 6.602 23.662 ( -5.708 0.000 -3.312) 6.599 23.895 ( 0.411 -0.000 1.616) 1.667 24.024 ( 1.445 0.000 -3.779) 4.046 24.064 ( -5.090 0.000 -2.750) 5.785 24.538 ( 7.076 -0.000 5.697) 9.085 24.673 ( -11.823 0.000 5.291) 12.953 24.942 ( -7.644 0.000 -0.717) 7.678 25.628 ( -1.372 0.000 -0.479) 1.453 26.352 ( 4.986 -0.000 -2.775) 5.706 26.417 ( -1.683 0.000 -2.176) 2.751 26.689 ( 6.548 -0.000 2.559) 7.030 26.759 ( -2.619 0.000 3.801) 4.616 28.338 ( 4.389 -0.000 2.788) 5.199 28.563 ( -2.138 0.000 -1.179) 2.442 29.034 ( 5.140 -0.000 -6.669) 8.420 29.080 ( 7.159 -0.000 -2.532) 7.593 29.192 ( -5.956 0.000 -0.705) 5.997 29.348 ( -3.366 0.000 -1.125) 3.549 29.572 ( -0.621 0.000 0.462) 0.774 29.757 ( 4.422 -0.000 7.072) 8.341 29.877 ( -2.485 0.000 -0.498) 2.535 30.099 ( -1.668 -0.000 5.786) 6.021 30.322 ( -2.681 0.000 -2.973) 4.004 30.543 ( -0.720 0.000 -1.878) 2.011 31.050 ( 2.688 -0.000 0.582) 2.750 31.531 ( 1.280 -0.000 -0.046) 1.281 31.716 ( 3.247 -0.000 0.161) 3.251 32.339 ( -0.952 0.000 -0.068) 0.954 32.686 ( -4.518 0.000 -1.307) 4.704 33.230 ( 1.852 -0.000 -0.398) 1.895 34.380 ( 0.690 -0.000 0.242) 0.732 34.856 ( -1.236 0.000 -0.749) 1.445 49.728 ( 0.942 -0.000 -0.054) 0.944 49.783 ( 5.253 -0.000 0.772) 5.309 ======================= Grid point 80 (66/105) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -78.331 16.991 -0.000) 80.153 2.863 ( -59.962 -1.952 -0.000) 59.994 3.384 ( -94.684 15.508 -0.000) 95.945 5.098 ( -10.747 118.248 0.000) 118.735 6.477 ( -0.634 -4.263 -0.000) 4.310 6.930 ( -3.760 5.676 -0.000) 6.808 7.166 ( 6.636 -6.128 0.000) 9.033 8.016 ( 4.276 -1.910 0.000) 4.683 8.148 ( 16.071 2.291 0.000) 16.233 9.402 ( 3.473 -41.076 -0.000) 41.223 10.030 ( -7.281 -11.688 -0.000) 13.771 10.742 ( 4.895 1.737 0.000) 5.195 10.980 ( 6.840 16.852 0.000) 18.187 11.003 ( -9.095 8.000 -0.000) 12.113 12.220 ( -17.385 10.974 -0.000) 20.559 12.466 ( 2.639 3.915 0.000) 4.722 12.519 ( -5.305 -28.841 -0.000) 29.325 12.826 ( -4.061 -3.120 -0.000) 5.122 12.865 ( 11.115 -16.086 0.000) 19.553 13.035 ( -19.079 16.568 -0.000) 25.269 13.813 ( 0.148 1.187 0.000) 1.196 14.009 ( 7.266 -42.946 -0.000) 43.556 14.859 ( 3.237 7.015 0.000) 7.726 15.156 ( 6.039 -1.921 0.000) 6.337 15.820 ( 26.193 -11.462 0.000) 28.591 16.563 ( -4.093 -0.423 -0.000) 4.115 16.575 ( 6.059 16.329 0.000) 17.417 16.794 ( -4.873 -35.486 -0.000) 35.819 16.852 ( 0.712 1.399 0.000) 1.570 17.083 ( -9.874 17.489 -0.000) 20.084 17.465 ( 4.327 22.369 0.000) 22.784 17.555 ( -2.903 5.356 -0.000) 6.092 17.602 ( -36.958 -5.270 -0.000) 37.332 17.912 ( -1.238 -5.518 -0.000) 5.655 17.968 ( 9.456 18.382 0.000) 20.671 18.165 ( -10.851 1.381 -0.000) 10.938 18.331 ( -0.595 15.043 0.000) 15.055 18.460 ( 3.788 8.521 0.000) 9.325 18.746 ( -1.409 -12.577 -0.000) 12.656 18.931 ( -10.913 -9.456 -0.000) 14.439 19.379 ( 11.154 -0.986 0.000) 11.198 20.024 ( 0.947 36.974 0.000) 36.986 20.118 ( 3.378 5.215 0.000) 6.213 20.378 ( 10.178 9.186 0.000) 13.710 20.605 ( 24.563 -3.366 0.000) 24.793 20.697 ( 5.469 -45.317 -0.000) 45.646 20.725 ( 6.697 -6.026 0.000) 9.009 21.057 ( -0.347 -5.404 -0.000) 5.415 21.346 ( 0.857 -17.967 -0.000) 17.987 21.480 ( -5.555 -9.118 -0.000) 10.677 21.524 ( -7.232 4.256 -0.000) 8.391 21.727 ( 0.770 -2.963 -0.000) 3.062 22.024 ( 13.801 4.970 0.000) 14.669 22.400 ( -1.357 -4.457 -0.000) 4.659 22.558 ( 8.569 4.065 0.000) 9.485 22.763 ( 3.071 1.460 0.000) 3.401 22.786 ( -13.488 -0.526 -0.000) 13.498 22.950 ( 4.985 9.265 0.000) 10.521 22.983 ( -9.636 2.823 -0.000) 10.041 23.125 ( -3.499 -0.360 -0.000) 3.517 23.477 ( -16.310 8.794 -0.000) 18.530 23.624 ( -1.086 -2.122 -0.000) 2.384 23.796 ( -1.527 1.568 -0.000) 2.189 23.980 ( 8.818 -10.242 0.000) 13.515 24.636 ( 11.559 12.662 0.000) 17.145 24.846 ( 12.337 1.832 0.000) 12.472 24.911 ( 2.583 -4.063 0.000) 4.815 25.238 ( 22.084 -3.611 0.000) 22.377 25.281 ( 0.069 0.164 0.000) 0.178 25.614 ( 4.253 -14.031 -0.000) 14.661 26.011 ( -7.015 -5.071 -0.000) 8.656 26.083 ( -7.594 -0.358 -0.000) 7.603 26.418 ( -0.842 2.825 0.000) 2.948 26.567 ( -3.720 0.711 -0.000) 3.787 28.128 ( -3.024 3.085 -0.000) 4.320 28.427 ( -6.963 7.821 -0.000) 10.471 28.560 ( -4.310 -2.826 -0.000) 5.154 28.740 ( -0.205 -2.186 -0.000) 2.195 29.450 ( -1.643 2.020 -0.000) 2.603 29.632 ( 2.557 -0.557 0.000) 2.617 29.734 ( 2.053 0.222 0.000) 2.065 29.863 ( -0.615 -8.108 -0.000) 8.131 29.899 ( 2.564 18.009 0.000) 18.191 30.294 ( 2.881 5.573 0.000) 6.273 30.727 ( 3.791 -4.490 0.000) 5.876 30.758 ( 8.558 -5.673 0.000) 10.268 31.134 ( 2.352 4.136 0.000) 4.758 31.377 ( 1.404 3.914 0.000) 4.159 31.388 ( -8.098 4.017 -0.000) 9.040 31.892 ( -5.022 -11.096 -0.000) 12.179 32.451 ( -15.412 -8.881 -0.000) 17.788 32.977 ( -0.130 4.274 0.000) 4.276 34.491 ( -0.702 5.037 0.000) 5.086 34.780 ( 1.136 -5.225 -0.000) 5.347 49.650 ( 0.173 0.623 0.000) 0.647 50.790 ( 22.446 10.164 0.000) 24.640 ======================= Grid point 82 (67/105) ======================= q-point: ( 0.26 -0.59 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.167 ( -32.501 -1.678 3.461) 32.728 5.629 ( 12.475 15.349 -0.280) 19.782 6.058 ( -7.100 31.855 -6.192) 33.219 6.667 ( 3.416 -8.520 -2.206) 9.440 7.212 ( -20.796 3.009 -2.802) 21.199 7.332 ( -5.753 5.557 -3.418) 8.698 7.417 ( -18.147 -7.075 -4.686) 20.033 7.675 ( 9.089 -3.049 -4.593) 10.630 8.910 ( 15.591 -8.314 2.848) 17.898 8.993 ( 5.385 -21.646 12.243) 25.445 9.857 ( 8.256 -6.628 1.450) 10.686 9.963 ( 14.693 -7.723 -2.486) 16.784 10.912 ( -14.626 -6.716 7.953) 17.952 11.105 ( 14.616 8.130 8.033) 18.554 12.115 ( -37.043 23.132 -10.639) 44.950 12.716 ( -8.135 22.837 -17.729) 30.034 12.981 ( -1.316 -19.548 -0.457) 19.598 13.041 ( 1.503 2.042 -10.507) 10.809 13.503 ( -4.071 24.414 6.782) 25.664 13.892 ( -21.094 13.260 -3.271) 25.130 14.140 ( -15.060 -20.920 5.112) 26.279 14.471 ( -8.353 -15.345 1.748) 17.558 14.655 ( 9.685 -8.123 3.856) 13.216 14.976 ( 16.867 -24.754 -9.203) 31.337 15.777 ( -13.238 -9.159 -6.985) 17.548 15.911 ( 22.651 1.674 -2.262) 22.825 16.321 ( -3.402 18.027 0.626) 18.356 16.656 ( -5.313 10.878 9.655) 15.485 16.827 ( 10.262 -10.098 1.222) 14.449 16.914 ( -0.747 -13.409 -4.270) 14.092 17.428 ( -7.440 13.786 5.832) 16.716 17.500 ( -4.024 9.780 0.720) 10.600 17.807 ( -0.967 4.968 6.983) 8.625 17.859 ( 0.797 11.997 5.507) 13.224 18.102 ( 5.918 3.881 7.236) 10.121 18.131 ( 3.974 -11.632 7.414) 14.355 18.346 ( 3.227 0.043 14.477) 14.832 18.456 ( 3.902 -2.539 7.320) 8.675 18.789 ( -3.574 -9.486 0.656) 10.159 19.022 ( 0.530 -15.098 0.884) 15.133 19.363 ( 1.062 7.330 0.075) 7.407 19.570 ( 8.046 7.296 1.260) 10.934 19.879 ( 4.546 33.217 -3.882) 33.751 20.053 ( -3.653 5.363 -10.595) 12.424 20.204 ( 10.378 6.542 -9.029) 15.233 20.511 ( 2.541 -18.460 -1.388) 18.686 20.667 ( -10.025 -5.231 -9.165) 14.555 20.951 ( 6.308 -17.545 -6.975) 19.906 21.367 ( 0.557 2.914 0.659) 3.040 21.549 ( 1.151 -10.573 -6.848) 12.649 21.827 ( -2.187 -4.279 3.981) 6.240 21.888 ( 8.340 1.520 2.646) 8.880 22.040 ( -3.889 3.552 -2.848) 5.988 22.212 ( 5.985 -1.681 0.921) 6.284 22.352 ( -4.866 0.965 -1.457) 5.170 22.464 ( 2.202 -2.749 -0.023) 3.522 22.826 ( -6.993 -1.069 0.682) 7.107 22.895 ( 0.287 4.211 0.286) 4.230 22.941 ( 1.877 1.210 3.388) 4.058 22.999 ( 3.722 -3.799 1.716) 5.588 23.528 ( -0.978 0.730 -5.443) 5.578 23.625 ( 5.369 1.043 -0.594) 5.502 23.833 ( -2.409 1.558 2.062) 3.533 23.870 ( 1.157 0.048 6.210) 6.317 24.163 ( -0.183 10.186 1.476) 10.294 24.414 ( 1.984 11.197 -1.558) 11.478 24.484 ( 3.113 -8.399 1.933) 9.164 24.528 ( 0.109 -5.234 -3.736) 6.432 25.083 ( 4.614 9.977 0.891) 11.028 25.284 ( -0.910 -15.356 0.871) 15.408 26.344 ( -4.713 0.125 -0.768) 4.777 26.390 ( -0.111 -0.022 0.340) 0.359 26.751 ( -4.947 0.165 -2.751) 5.663 26.823 ( 2.274 0.178 -0.607) 2.361 28.433 ( -2.312 1.121 -1.246) 2.856 28.484 ( 0.879 -1.026 1.881) 2.316 28.914 ( -7.713 1.252 0.246) 7.818 29.037 ( 0.157 -1.846 0.910) 2.064 29.304 ( 1.858 2.657 2.908) 4.355 29.350 ( 4.517 1.573 3.771) 6.091 29.634 ( 2.123 4.821 -2.532) 5.845 29.709 ( -1.398 -6.370 -4.484) 7.914 30.076 ( -1.280 4.045 -2.973) 5.181 30.201 ( 5.605 -2.183 -2.001) 6.339 30.300 ( -1.608 3.725 2.390) 4.708 30.406 ( 2.467 -3.735 2.380) 5.070 31.155 ( -1.308 5.520 -0.751) 5.723 31.316 ( 0.410 -7.989 0.723) 8.032 31.854 ( -2.991 6.898 -0.130) 7.519 32.038 ( -0.099 -9.701 1.210) 9.777 32.939 ( -0.018 9.159 0.414) 9.168 33.075 ( -2.402 -7.518 -0.897) 7.943 34.551 ( -0.720 7.212 0.065) 7.248 34.698 ( 0.605 -6.691 0.722) 6.757 49.760 ( -4.862 0.134 0.423) 4.882 49.856 ( 6.554 2.428 -0.038) 6.989 ======================= Grid point 83 (68/105) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -0.000 -0.110 0.467) 0.480 3.879 ( -0.000 -63.678 -40.072) 75.237 5.757 ( -0.000 -6.803 -79.584) 79.874 6.461 ( 0.000 3.637 -0.609) 3.687 6.491 ( 0.000 12.012 74.221) 75.187 6.680 ( -0.000 -3.043 -0.043) 3.043 7.274 ( 0.000 25.400 9.672) 27.179 8.098 ( -0.000 -0.458 0.203) 0.501 8.137 ( -0.000 -14.221 -21.255) 25.573 8.286 ( -0.000 2.229 -50.271) 50.320 9.629 ( 0.000 13.165 50.032) 51.735 10.206 ( 0.000 14.460 3.634) 14.910 10.943 ( -0.000 -19.776 -5.345) 20.485 11.792 ( -0.000 -5.662 -20.506) 21.274 11.927 ( -0.000 -11.919 9.238) 15.080 12.024 ( -0.000 -10.781 -3.611) 11.370 12.691 ( 0.000 15.591 10.958) 19.057 12.885 ( 0.000 38.731 -5.732) 39.153 13.227 ( 0.000 16.652 -6.803) 17.988 13.252 ( 0.000 -2.085 27.695) 27.774 13.429 ( -0.000 -0.489 0.548) 0.734 13.576 ( 0.000 8.314 8.905) 12.183 13.667 ( 0.000 2.408 -3.809) 4.506 14.849 ( 0.000 15.142 -16.439) 22.350 14.968 ( -0.000 -37.836 10.405) 39.241 15.207 ( -0.000 -9.691 22.896) 24.863 16.536 ( -0.000 -9.103 1.033) 9.161 16.883 ( -0.000 -7.764 0.919) 7.818 17.061 ( -0.000 -2.854 -5.173) 5.908 17.091 ( -0.000 2.519 -15.144) 15.352 17.177 ( 0.000 3.827 2.035) 4.334 17.609 ( 0.000 1.295 1.274) 1.817 17.830 ( 0.000 10.137 5.423) 11.496 17.872 ( 0.000 2.581 -13.711) 13.952 18.397 ( -0.000 -18.136 1.834) 18.229 18.496 ( -0.000 -1.860 -13.845) 13.969 18.541 ( -0.000 -26.560 0.977) 26.578 18.843 ( 0.000 12.117 -11.732) 16.866 18.984 ( -0.000 -0.657 -0.251) 0.704 19.163 ( 0.000 4.356 24.210) 24.599 19.466 ( 0.000 21.269 1.424) 21.317 19.590 ( -0.000 -7.257 -14.598) 16.303 19.849 ( 0.000 0.338 7.732) 7.739 20.249 ( -0.000 -15.918 8.091) 17.857 20.531 ( 0.000 0.158 10.988) 10.989 21.019 ( 0.000 5.547 -9.865) 11.317 21.138 ( 0.000 1.562 -2.581) 3.017 21.384 ( -0.000 -4.007 6.210) 7.390 21.669 ( 0.000 18.009 0.518) 18.016 21.820 ( 0.000 11.882 4.133) 12.581 22.072 ( 0.000 1.479 5.553) 5.747 22.087 ( 0.000 4.119 3.516) 5.416 22.200 ( 0.000 2.234 3.982) 4.566 22.220 ( -0.000 -0.247 -6.317) 6.322 22.400 ( -0.000 -0.953 -7.777) 7.835 22.469 ( -0.000 -5.008 -7.702) 9.187 22.815 ( -0.000 -5.774 12.233) 13.527 23.060 ( -0.000 -2.258 -6.859) 7.222 23.240 ( -0.000 -9.436 -11.071) 14.547 23.401 ( 0.000 2.502 4.488) 5.138 23.630 ( 0.000 1.711 3.347) 3.759 23.833 ( -0.000 -3.772 -12.905) 13.445 23.979 ( 0.000 7.868 15.069) 17.000 23.985 ( -0.000 -5.690 4.245) 7.099 24.064 ( 0.000 0.795 4.103) 4.179 24.235 ( -0.000 0.374 -10.811) 10.817 24.305 ( 0.000 0.480 6.535) 6.553 24.937 ( -0.000 -3.693 -2.380) 4.394 25.137 ( -0.000 -2.618 0.728) 2.717 25.637 ( 0.000 7.176 4.804) 8.636 25.776 ( 0.000 0.737 2.504) 2.610 25.964 ( -0.000 -0.990 -2.791) 2.961 26.793 ( -0.000 -2.037 6.313) 6.634 26.973 ( 0.000 2.125 -4.814) 5.262 28.099 ( -0.000 -0.827 -2.964) 3.077 28.305 ( 0.000 3.799 3.189) 4.960 28.522 ( 0.000 2.754 -5.057) 5.758 28.838 ( -0.000 -5.066 -2.981) 5.878 29.445 ( -0.000 -8.453 5.855) 10.282 29.588 ( -0.000 -0.171 0.402) 0.437 29.721 ( 0.000 0.128 -0.483) 0.500 29.901 ( -0.000 -2.068 5.660) 6.026 29.974 ( 0.000 2.720 -11.649) 11.962 30.258 ( 0.000 1.553 -5.295) 5.518 30.788 ( 0.000 3.579 5.157) 6.277 30.867 ( 0.000 6.117 0.896) 6.182 31.253 ( -0.000 -5.550 -5.004) 7.473 31.267 ( -0.000 -4.896 1.663) 5.171 31.631 ( 0.000 2.012 -1.264) 2.376 31.733 ( 0.000 6.663 6.086) 9.024 32.532 ( -0.000 -2.021 8.246) 8.490 32.750 ( -0.000 0.454 -7.909) 7.922 34.448 ( -0.000 -3.556 -1.787) 3.980 34.777 ( 0.000 3.704 2.191) 4.304 49.642 ( -0.000 -3.743 0.204) 3.749 50.397 ( -0.000 -2.754 -11.919) 12.233 ======================= Grid point 85 (69/105) ======================= q-point: ( 0.65 -0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.354 ( -41.702 -2.484 0.160) 41.777 5.558 ( 3.867 -31.860 -10.024) 33.623 5.823 ( -58.697 6.057 16.560) 61.289 6.410 ( 20.056 1.221 -1.368) 20.139 7.024 ( -6.848 1.260 -0.295) 6.969 7.422 ( 9.502 4.362 -9.118) 13.873 7.832 ( 8.958 -0.330 2.175) 9.225 8.071 ( -25.735 31.462 3.927) 40.836 8.703 ( -0.329 11.776 4.677) 12.675 9.328 ( -34.260 -0.961 18.289) 38.847 9.786 ( 1.700 20.911 -3.861) 21.332 10.335 ( 33.232 -0.927 3.882) 33.471 10.563 ( -9.067 -14.225 -17.052) 23.986 11.142 ( -3.816 2.468 -2.175) 5.039 11.891 ( 6.147 -17.497 -1.560) 18.611 12.097 ( -14.927 -11.837 7.866) 20.611 12.484 ( -11.904 3.536 -1.454) 12.503 12.684 ( -6.518 -0.342 -7.466) 9.917 13.117 ( -5.463 -11.052 2.484) 12.576 13.721 ( -6.423 3.472 -0.269) 7.307 14.238 ( 1.058 -5.483 3.954) 6.842 14.461 ( -7.568 1.812 7.904) 11.092 14.724 ( -9.854 -5.699 4.597) 12.277 14.941 ( 4.538 11.971 1.004) 12.842 15.332 ( -26.400 28.429 2.260) 38.862 16.183 ( -22.692 -0.442 -9.497) 24.603 16.641 ( 2.801 -1.217 -10.633) 11.063 16.794 ( 12.545 8.295 -9.043) 17.549 16.961 ( 5.248 -16.438 -1.747) 17.343 17.189 ( -2.185 3.543 10.143) 10.964 17.565 ( 4.136 -3.862 -7.888) 9.708 17.648 ( 16.261 -5.703 -13.292) 21.763 17.846 ( -2.730 2.937 -17.154) 17.616 17.942 ( 12.432 -0.590 -2.329) 12.662 18.221 ( -2.567 6.021 -5.493) 8.544 18.336 ( 11.118 -9.280 -3.287) 14.850 18.431 ( 4.551 -3.164 -4.688) 7.259 18.541 ( -0.254 -23.263 -1.847) 23.337 18.798 ( -10.528 6.255 2.127) 12.429 18.900 ( 3.246 4.624 12.240) 13.481 19.281 ( 1.911 1.552 4.895) 5.480 19.324 ( -9.455 -8.583 10.745) 16.688 19.544 ( 4.359 0.767 11.295) 12.131 19.831 ( 9.687 -0.084 3.544) 10.315 20.217 ( 3.764 6.675 -4.971) 9.134 20.477 ( -4.772 -4.415 9.889) 11.835 20.546 ( -0.622 -2.573 11.435) 11.738 20.958 ( 11.179 -7.519 -3.330) 13.877 21.120 ( -0.855 -6.475 14.278) 15.701 21.708 ( 2.690 5.800 0.669) 6.429 21.864 ( -2.238 -0.004 6.177) 6.570 22.134 ( 5.236 22.962 -4.710) 24.018 22.213 ( -4.624 7.923 -1.114) 9.241 22.356 ( 4.236 6.575 -0.418) 7.833 22.391 ( -2.627 0.057 -1.600) 3.077 22.584 ( 3.775 2.020 -2.651) 5.035 22.873 ( 2.454 0.424 -3.697) 4.458 22.927 ( 1.595 -1.628 -3.175) 3.909 23.010 ( 3.176 -1.947 -1.393) 3.977 23.157 ( 8.008 1.164 -0.552) 8.110 23.526 ( 1.912 -0.304 0.458) 1.989 23.821 ( -1.633 0.040 -7.175) 7.359 23.872 ( -9.463 -0.802 1.200) 9.573 23.944 ( -0.272 -8.851 -6.645) 11.071 24.096 ( 16.925 -1.347 -1.571) 17.051 24.209 ( 10.419 -12.985 -0.888) 16.672 24.566 ( 14.670 1.744 9.603) 17.620 24.571 ( -9.085 6.174 5.789) 12.416 24.858 ( 6.477 -6.660 -4.521) 10.332 25.526 ( -0.151 6.941 1.651) 7.137 26.180 ( -9.541 -1.978 -0.721) 9.770 26.420 ( -2.244 0.273 -4.759) 5.268 26.528 ( -8.606 -0.200 3.849) 9.430 26.808 ( 0.104 0.016 4.312) 4.314 28.396 ( -2.994 0.550 -1.550) 3.416 28.528 ( 1.108 -0.067 -1.654) 1.992 28.871 ( -8.364 3.217 -1.060) 9.024 28.986 ( -3.025 3.457 1.672) 4.888 29.305 ( -0.407 -6.859 -3.846) 7.874 29.418 ( 5.370 -1.260 -2.113) 5.907 29.616 ( 2.624 0.764 0.321) 2.752 29.723 ( -4.055 -4.694 5.803) 8.494 30.032 ( 9.178 3.365 1.580) 9.902 30.231 ( 7.009 -2.170 -1.293) 7.450 30.402 ( 4.684 -1.506 -0.075) 4.921 30.622 ( 4.655 6.033 -1.781) 7.826 31.264 ( 5.954 -0.258 -1.916) 6.260 31.312 ( -6.871 4.879 1.307) 8.528 31.736 ( -4.005 -5.029 -0.971) 6.502 32.032 ( -8.536 7.995 1.510) 11.792 32.573 ( -7.297 -9.051 1.809) 11.766 33.180 ( -2.253 3.321 -0.624) 4.062 34.483 ( 1.841 -4.693 -0.815) 5.107 34.750 ( -2.124 3.462 0.277) 4.070 49.691 ( -1.354 -0.173 -0.308) 1.399 50.240 ( 15.745 1.971 -3.864) 16.332 ======================= Grid point 91 (70/105) ======================= q-point: ( 0.44 -0.27 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -35.110 -2.281 1.037) 35.199 3.333 ( -37.719 15.811 61.081) 73.509 4.561 ( -89.045 18.581 67.503) 113.274 6.037 ( -1.823 -12.825 -17.054) 21.417 6.733 ( -2.808 7.994 1.383) 8.585 6.957 ( 5.483 2.932 -8.421) 10.467 7.667 ( 2.973 73.704 11.136) 74.600 7.923 ( 4.426 -0.758 -5.357) 6.990 8.157 ( 3.005 -9.497 0.747) 9.990 8.745 ( 2.233 -15.524 -3.476) 16.065 9.187 ( -19.693 -8.041 -42.358) 47.399 10.942 ( 10.048 -9.758 18.844) 23.480 11.323 ( 23.164 20.151 4.682) 31.057 11.559 ( 0.456 17.582 13.840) 22.380 11.929 ( -7.616 -27.707 -0.577) 28.741 12.267 ( -12.947 -18.102 4.473) 22.700 12.528 ( -6.871 2.583 -1.681) 7.531 12.584 ( 18.720 -7.045 -3.592) 20.322 12.870 ( -12.020 11.359 4.089) 17.036 13.045 ( 5.765 -24.374 -28.252) 37.756 13.504 ( -19.662 27.183 -4.993) 33.918 13.748 ( -17.357 -6.360 1.671) 18.561 14.785 ( 4.818 -1.001 -25.864) 26.328 14.987 ( 4.202 13.853 -6.816) 16.000 15.284 ( 10.437 -26.319 -7.001) 29.165 15.929 ( -11.194 -38.657 -11.024) 41.727 16.684 ( 1.851 1.011 -2.391) 3.188 16.848 ( 2.852 12.191 -2.763) 12.822 16.918 ( -2.269 10.854 0.850) 11.122 17.299 ( -8.009 7.552 -5.704) 12.398 17.338 ( -7.400 -3.470 -1.023) 8.237 17.590 ( -0.831 -4.241 2.489) 4.987 17.851 ( 1.850 9.897 -5.339) 11.396 17.891 ( 1.788 7.902 11.774) 14.292 18.249 ( 6.835 16.445 -4.496) 18.368 18.408 ( -1.074 -15.669 0.820) 15.727 18.615 ( -1.761 10.963 0.724) 11.127 18.697 ( 2.566 6.813 12.410) 14.388 18.758 ( -5.571 6.247 15.362) 17.494 18.985 ( -10.822 6.722 3.459) 13.201 19.518 ( 9.895 -8.083 7.954) 15.051 19.595 ( 2.359 -43.272 0.617) 43.340 19.912 ( 13.921 -2.712 -7.565) 16.074 20.303 ( 1.766 -7.486 -8.170) 11.221 20.638 ( 12.905 3.626 3.884) 13.956 20.658 ( 12.552 -1.837 8.617) 15.335 20.783 ( 0.725 2.470 -6.751) 7.225 21.017 ( -1.448 -1.861 7.945) 8.287 21.177 ( -0.534 3.402 9.473) 10.080 21.447 ( -5.518 9.971 2.451) 11.657 21.743 ( -2.199 1.101 11.363) 11.626 21.833 ( -0.413 -3.524 11.012) 11.569 22.099 ( 0.440 0.870 -0.556) 1.123 22.305 ( 4.504 -1.236 -1.126) 4.805 22.575 ( 3.313 0.642 -3.338) 4.747 22.668 ( 1.060 1.626 -4.741) 5.124 22.804 ( -0.913 0.857 -2.031) 2.386 23.076 ( 4.716 4.938 2.648) 7.324 23.158 ( 3.049 4.080 3.346) 6.094 23.213 ( -11.948 -0.826 10.289) 15.789 23.509 ( 0.427 -4.951 -5.533) 7.437 23.640 ( -9.804 7.009 -2.022) 12.220 23.783 ( 5.327 -5.979 2.996) 8.550 23.928 ( -6.197 4.145 4.787) 8.860 24.381 ( 11.013 -6.599 -21.051) 24.657 24.724 ( 3.707 -5.474 -6.733) 9.436 24.941 ( 14.021 1.842 -7.706) 16.105 25.164 ( 12.970 1.498 -0.570) 13.068 25.304 ( 5.238 -12.226 -3.737) 13.816 25.337 ( -4.122 6.507 -1.800) 7.910 25.871 ( -8.717 -3.075 -1.880) 9.433 26.248 ( -3.766 0.321 0.017) 3.780 26.287 ( -0.872 -1.332 4.920) 5.171 26.777 ( -0.065 1.711 9.487) 9.641 28.208 ( -3.806 3.736 0.868) 5.403 28.383 ( -5.572 -0.090 -7.650) 9.464 28.604 ( -1.898 6.364 -1.397) 6.786 28.809 ( -1.545 0.114 6.749) 6.924 29.441 ( 0.145 -5.604 0.736) 5.654 29.599 ( 2.632 -0.962 -1.892) 3.381 29.720 ( 0.556 -5.289 4.142) 6.741 29.749 ( -0.180 -3.234 1.188) 3.449 30.203 ( 3.944 14.508 -4.561) 15.712 30.384 ( -1.085 8.587 -3.137) 9.207 30.601 ( 6.333 -4.302 -1.116) 7.737 30.722 ( 5.283 -2.094 2.285) 6.125 31.210 ( 3.563 -0.123 2.042) 4.109 31.428 ( 1.775 3.052 -0.329) 3.546 31.526 ( -6.728 5.873 3.109) 9.456 31.665 ( -5.840 -8.857 -2.226) 10.840 32.366 ( -9.242 -6.118 4.557) 11.984 33.014 ( -1.748 3.296 -3.264) 4.957 34.580 ( -0.940 2.764 -0.495) 2.961 34.670 ( 1.121 -3.447 -0.451) 3.653 49.665 ( -0.039 -0.142 0.475) 0.497 50.778 ( 12.203 4.633 -10.102) 16.506 ======================= Grid point 92 (71/105) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 59.357 -0.000 0.000) 59.357 4.909 ( 26.708 -0.000 0.000) 26.708 5.202 ( 61.595 -0.000 0.000) 61.595 6.677 ( 8.665 -0.000 0.000) 8.665 6.908 ( -4.379 0.000 -0.000) 4.379 7.203 ( 11.062 -0.000 0.000) 11.062 7.287 ( -5.836 0.000 -0.000) 5.836 7.727 ( -6.554 0.000 -0.000) 6.554 8.106 ( 113.312 -0.000 0.000) 113.312 9.618 ( -10.864 0.000 -0.000) 10.864 10.552 ( -36.568 0.000 -0.000) 36.568 10.594 ( -9.591 0.000 -0.000) 9.591 10.852 ( 12.168 -0.000 0.000) 12.168 11.217 ( 12.295 -0.000 0.000) 12.295 11.580 ( -43.658 0.000 -0.000) 43.658 11.989 ( -3.148 0.000 -0.000) 3.148 12.610 ( -1.783 0.000 -0.000) 1.783 12.637 ( 15.038 -0.000 0.000) 15.038 13.489 ( -6.238 0.000 -0.000) 6.238 13.618 ( 3.739 -0.000 0.000) 3.739 14.223 ( 39.068 -0.000 0.000) 39.068 14.870 ( -8.203 0.000 -0.000) 8.203 14.972 ( -17.317 0.000 -0.000) 17.317 15.211 ( 40.239 -0.000 0.000) 40.239 16.010 ( -7.221 0.000 -0.000) 7.221 16.408 ( -5.613 0.000 -0.000) 5.613 16.662 ( 0.415 -0.000 0.000) 0.415 16.822 ( 23.895 -0.000 0.000) 23.895 16.845 ( -0.108 0.000 -0.000) 0.108 17.005 ( -40.604 0.000 -0.000) 40.604 17.085 ( -2.216 0.000 -0.000) 2.216 17.366 ( 18.685 -0.000 0.000) 18.685 17.457 ( -3.764 0.000 -0.000) 3.764 17.578 ( -9.589 0.000 -0.000) 9.589 17.697 ( 4.575 -0.000 0.000) 4.575 17.841 ( 0.677 -0.000 0.000) 0.677 18.675 ( -3.521 0.000 -0.000) 3.521 18.908 ( 7.370 -0.000 0.000) 7.370 18.992 ( -7.968 0.000 -0.000) 7.968 19.206 ( 4.382 -0.000 0.000) 4.382 19.493 ( -4.978 0.000 -0.000) 4.978 19.579 ( -7.559 0.000 -0.000) 7.559 19.790 ( 1.984 -0.000 0.000) 1.984 20.031 ( 25.819 -0.000 0.000) 25.819 20.133 ( 3.300 -0.000 0.000) 3.300 20.515 ( -21.168 0.000 -0.000) 21.168 20.698 ( -7.221 0.000 -0.000) 7.221 20.926 ( -12.839 0.000 -0.000) 12.839 21.332 ( -11.215 0.000 -0.000) 11.215 21.574 ( -10.699 0.000 -0.000) 10.699 21.892 ( 1.907 -0.000 0.000) 1.907 21.906 ( 6.335 -0.000 0.000) 6.335 22.134 ( 2.758 -0.000 0.000) 2.758 22.170 ( 2.619 -0.000 0.000) 2.619 22.411 ( -0.969 0.000 -0.000) 0.969 22.463 ( 2.128 -0.000 0.000) 2.128 22.755 ( 0.641 -0.000 0.000) 0.641 22.899 ( -3.960 0.000 -0.000) 3.960 23.083 ( -6.649 0.000 -0.000) 6.649 23.402 ( -9.929 0.000 -0.000) 9.929 23.585 ( 2.551 -0.000 0.000) 2.551 23.660 ( -1.741 0.000 -0.000) 1.741 23.737 ( 6.674 -0.000 0.000) 6.674 23.931 ( -8.640 0.000 -0.000) 8.640 24.156 ( -12.401 0.000 -0.000) 12.401 24.199 ( 12.907 -0.000 0.000) 12.907 24.298 ( -16.994 0.000 -0.000) 16.994 24.829 ( -8.273 0.000 -0.000) 8.273 25.117 ( -8.288 0.000 -0.000) 8.288 25.697 ( -4.226 0.000 -0.000) 4.226 26.296 ( 5.097 -0.000 0.000) 5.097 26.468 ( 1.442 -0.000 0.000) 1.442 26.490 ( 9.914 -0.000 0.000) 9.914 26.696 ( 2.058 -0.000 0.000) 2.058 28.203 ( 4.626 -0.000 0.000) 4.626 28.591 ( 1.330 -0.000 0.000) 1.330 28.959 ( 7.778 -0.000 0.000) 7.778 28.988 ( 10.007 -0.000 0.000) 10.007 29.271 ( -3.134 0.000 -0.000) 3.134 29.445 ( -5.557 0.000 -0.000) 5.557 29.557 ( 0.317 -0.000 0.000) 0.317 29.652 ( -1.758 0.000 -0.000) 1.758 29.970 ( 0.602 -0.000 0.000) 0.602 30.026 ( -3.979 0.000 -0.000) 3.979 30.466 ( -7.646 0.000 -0.000) 7.646 30.622 ( -5.010 0.000 -0.000) 5.010 31.008 ( -0.202 0.000 -0.000) 0.202 31.471 ( 4.729 -0.000 0.000) 4.729 31.607 ( 7.210 -0.000 0.000) 7.210 32.328 ( 2.506 -0.000 0.000) 2.506 32.787 ( -3.535 0.000 -0.000) 3.535 33.183 ( 3.507 -0.000 0.000) 3.507 34.370 ( 0.059 -0.000 0.000) 0.059 34.884 ( -0.700 0.000 -0.000) 0.700 49.663 ( 3.400 -0.000 0.000) 3.400 49.742 ( -0.603 0.000 -0.000) 0.603 ======================= Grid point 93 (72/105) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.366 ( -41.990 0.000 2.488) 42.064 4.871 ( -10.124 0.000 -22.424) 24.604 6.385 ( -35.585 0.000 27.879) 45.206 6.429 ( 24.407 -0.000 0.169) 24.408 6.991 ( -5.785 0.000 -2.793) 6.424 7.295 ( 0.407 0.000 -4.613) 4.630 7.821 ( 7.872 -0.000 -1.644) 8.042 8.355 ( -15.810 0.000 3.825) 16.266 8.385 ( -6.765 0.000 -43.031) 43.560 9.876 ( -3.318 0.000 -5.966) 6.827 10.123 ( 19.844 -0.000 22.999) 30.376 10.349 ( -32.038 0.000 37.433) 49.271 10.612 ( 12.505 -0.000 13.939) 18.726 10.902 ( 8.240 -0.000 -10.388) 13.259 11.660 ( -3.160 0.000 -6.779) 7.480 12.155 ( 17.818 -0.000 -21.424) 27.865 12.349 ( -21.600 0.000 -10.847) 24.171 12.627 ( -44.540 0.000 20.387) 48.984 13.044 ( -3.626 0.000 3.194) 4.832 13.634 ( 4.141 0.000 -7.477) 8.548 14.343 ( -18.163 0.000 2.760) 18.372 14.625 ( -15.565 0.000 1.971) 15.689 14.894 ( -10.865 0.000 9.703) 14.567 15.039 ( 9.906 -0.000 4.492) 10.877 15.718 ( -42.703 0.000 -5.215) 43.020 15.952 ( -21.352 0.000 -2.750) 21.528 16.351 ( 0.132 0.000 -11.613) 11.614 16.623 ( 5.466 -0.000 -8.580) 10.173 16.727 ( 17.387 -0.000 -6.587) 18.593 17.237 ( 9.192 -0.000 -15.558) 18.071 17.316 ( 0.668 -0.000 2.895) 2.971 17.403 ( -0.888 0.000 -5.920) 5.986 17.794 ( 2.077 -0.000 13.996) 14.150 17.834 ( 5.761 -0.000 -4.914) 7.573 17.881 ( 14.178 -0.000 -9.965) 17.330 18.200 ( 10.705 -0.000 -1.873) 10.868 18.502 ( 7.666 -0.000 0.999) 7.731 18.573 ( 4.644 -0.000 8.294) 9.506 18.895 ( -10.441 0.000 -0.244) 10.444 18.994 ( 12.279 -0.000 -1.251) 12.342 19.480 ( 3.970 -0.000 12.838) 13.438 19.518 ( 9.580 -0.000 6.071) 11.341 19.810 ( 9.943 -0.000 -14.193) 17.329 19.836 ( -2.222 -0.000 10.078) 10.320 20.171 ( 9.525 -0.000 4.823) 10.677 20.500 ( -18.645 0.000 5.377) 19.405 20.638 ( -0.906 -0.000 4.036) 4.136 20.793 ( 21.173 -0.000 -2.150) 21.282 21.544 ( 0.439 -0.000 18.219) 18.224 21.824 ( -1.241 -0.000 4.835) 4.991 22.038 ( -2.867 -0.000 8.027) 8.523 22.146 ( 2.439 0.000 -9.189) 9.507 22.246 ( 3.612 -0.000 0.289) 3.623 22.313 ( -2.610 0.000 0.187) 2.616 22.457 ( -4.545 0.000 0.370) 4.560 22.714 ( 6.512 -0.000 -1.524) 6.688 22.817 ( 2.802 -0.000 -4.430) 5.242 22.824 ( 4.377 -0.000 -2.874) 5.236 22.936 ( -0.814 0.000 -3.913) 3.996 23.195 ( 8.857 -0.000 1.039) 8.918 23.461 ( -3.873 0.000 -7.808) 8.716 23.629 ( 5.935 -0.000 2.898) 6.604 23.749 ( -2.383 0.000 -5.012) 5.550 23.913 ( -5.914 0.000 2.393) 6.379 23.994 ( 5.620 -0.000 -6.119) 8.308 24.084 ( 15.869 -0.000 0.986) 15.899 24.605 ( 0.259 0.000 -6.548) 6.553 24.782 ( 9.294 -0.000 6.970) 11.618 24.793 ( -2.232 -0.000 4.015) 4.594 25.614 ( -0.483 0.000 0.136) 0.502 26.192 ( -9.354 0.000 3.396) 9.952 26.341 ( -4.780 0.000 -2.929) 5.606 26.641 ( -5.446 0.000 6.617) 8.570 26.848 ( 1.436 -0.000 -0.880) 1.684 28.372 ( -2.672 0.000 0.167) 2.677 28.492 ( -1.475 0.000 -2.558) 2.953 28.850 ( -7.161 0.000 -3.697) 8.059 29.078 ( -3.501 0.000 -6.061) 7.000 29.114 ( 2.332 -0.000 4.560) 5.122 29.363 ( 5.244 -0.000 -1.965) 5.600 29.619 ( 2.331 -0.000 0.008) 2.331 29.868 ( -2.306 -0.000 9.804) 10.071 30.070 ( 5.516 -0.000 -1.345) 5.678 30.161 ( 4.500 -0.000 -3.155) 5.496 30.383 ( 5.666 -0.000 -0.297) 5.673 30.631 ( 6.839 -0.000 -2.585) 7.311 31.211 ( 6.476 -0.000 -2.680) 7.009 31.394 ( -7.865 0.000 1.627) 8.031 31.670 ( -5.011 0.000 -0.972) 5.104 32.175 ( -8.107 0.000 2.605) 8.515 32.522 ( -4.058 0.000 3.270) 5.212 33.190 ( -3.496 0.000 -1.192) 3.694 34.417 ( 1.047 -0.000 -1.086) 1.508 34.794 ( -1.226 0.000 0.847) 1.490 49.676 ( -1.665 0.000 -0.746) 1.824 50.144 ( 12.666 -0.000 -6.445) 14.211 ======================= Grid point 94 (73/105) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -0.000 0.000 -53.364) 53.364 2.450 ( -0.000 0.000 -1.935) 1.935 3.943 ( -0.000 0.000 -86.234) 86.234 5.571 ( -0.000 0.000 -114.542) 114.542 6.543 ( -0.000 0.000 -1.717) 1.717 6.870 ( -0.000 0.000 -11.034) 11.034 7.728 ( -0.000 0.000 -8.491) 8.491 8.040 ( 0.000 -0.000 13.016) 13.016 8.104 ( 0.000 -0.000 0.750) 0.750 8.121 ( 0.000 -0.000 70.000) 70.000 10.102 ( -0.000 0.000 -1.602) 1.602 10.598 ( -0.000 0.000 -8.278) 8.278 11.333 ( -0.000 0.000 -22.990) 22.990 11.644 ( 0.000 -0.000 82.071) 82.071 11.832 ( -0.000 0.000 -0.551) 0.551 11.965 ( 0.000 -0.000 5.828) 5.828 12.605 ( -0.000 0.000 -35.401) 35.401 12.704 ( -0.000 0.000 -10.298) 10.298 13.320 ( -0.000 0.000 -4.645) 4.645 13.436 ( -0.000 0.000 -8.349) 8.349 13.783 ( 0.000 -0.000 5.707) 5.707 14.113 ( 0.000 -0.000 34.530) 34.530 14.160 ( 0.000 -0.000 37.303) 37.303 14.782 ( -0.000 0.000 -1.470) 1.470 14.955 ( 0.000 -0.000 23.225) 23.225 15.661 ( 0.000 -0.000 24.097) 24.097 16.547 ( 0.000 -0.000 7.371) 7.371 16.770 ( -0.000 0.000 -2.736) 2.736 16.796 ( -0.000 0.000 -9.730) 9.730 16.863 ( -0.000 0.000 -6.409) 6.409 17.369 ( 0.000 -0.000 8.167) 8.167 17.559 ( -0.000 0.000 -3.239) 3.239 17.618 ( -0.000 0.000 -11.030) 11.030 17.954 ( -0.000 0.000 -22.961) 22.961 18.102 ( 0.000 -0.000 3.087) 3.087 18.172 ( -0.000 0.000 -2.309) 2.309 18.326 ( -0.000 0.000 -2.171) 2.171 18.734 ( -0.000 0.000 -16.824) 16.824 19.111 ( -0.000 0.000 -16.268) 16.268 19.119 ( 0.000 -0.000 12.434) 12.434 19.628 ( -0.000 0.000 -10.465) 10.465 19.706 ( 0.000 -0.000 18.004) 18.004 20.031 ( 0.000 -0.000 4.536) 4.536 20.309 ( 0.000 -0.000 16.675) 16.675 20.577 ( -0.000 0.000 -32.386) 32.386 20.739 ( 0.000 -0.000 7.481) 7.481 20.985 ( -0.000 0.000 -5.436) 5.436 21.492 ( 0.000 -0.000 4.818) 4.818 21.873 ( -0.000 0.000 -16.036) 16.036 21.924 ( 0.000 -0.000 4.747) 4.747 22.002 ( -0.000 0.000 -2.864) 2.864 22.053 ( -0.000 0.000 -8.862) 8.862 22.234 ( -0.000 0.000 -3.201) 3.201 22.302 ( 0.000 -0.000 11.978) 11.978 22.369 ( 0.000 -0.000 3.167) 3.167 22.422 ( 0.000 -0.000 0.923) 0.923 22.873 ( -0.000 0.000 -6.515) 6.515 22.982 ( -0.000 0.000 -6.014) 6.014 23.011 ( 0.000 -0.000 9.053) 9.053 23.505 ( -0.000 0.000 -4.520) 4.520 23.530 ( 0.000 -0.000 3.569) 3.569 23.559 ( -0.000 0.000 -28.488) 28.488 23.622 ( -0.000 0.000 -5.324) 5.324 24.012 ( 0.000 -0.000 4.021) 4.021 24.368 ( -0.000 0.000 -3.219) 3.219 24.497 ( 0.000 -0.000 22.341) 22.341 24.565 ( 0.000 -0.000 21.409) 21.409 25.109 ( -0.000 0.000 -2.227) 2.227 25.110 ( 0.000 -0.000 19.214) 19.214 25.822 ( 0.000 -0.000 5.748) 5.748 25.893 ( -0.000 0.000 -1.922) 1.922 25.894 ( 0.000 -0.000 7.489) 7.489 26.799 ( -0.000 0.000 -13.867) 13.867 26.817 ( -0.000 0.000 -2.337) 2.337 28.036 ( -0.000 0.000 -1.694) 1.694 28.413 ( -0.000 0.000 -6.867) 6.867 28.482 ( 0.000 -0.000 7.466) 7.466 28.686 ( -0.000 0.000 -2.863) 2.863 29.424 ( -0.000 0.000 -2.082) 2.082 29.612 ( 0.000 -0.000 1.862) 1.862 29.722 ( 0.000 -0.000 0.388) 0.388 29.780 ( -0.000 0.000 -7.634) 7.634 29.976 ( 0.000 -0.000 3.304) 3.304 30.175 ( -0.000 0.000 -3.288) 3.288 30.931 ( 0.000 -0.000 5.408) 5.408 30.991 ( 0.000 -0.000 3.019) 3.019 31.099 ( -0.000 0.000 -4.612) 4.612 31.242 ( 0.000 -0.000 0.890) 0.890 31.600 ( -0.000 0.000 -3.723) 3.723 31.926 ( 0.000 -0.000 5.983) 5.983 32.565 ( -0.000 0.000 -8.930) 8.930 32.692 ( 0.000 -0.000 7.732) 7.732 34.388 ( -0.000 0.000 -0.648) 0.648 34.859 ( 0.000 -0.000 1.818) 1.818 49.586 ( 0.000 -0.000 0.025) 0.025 50.082 ( -0.000 0.000 -12.326) 12.326 ======================= Grid point 95 (74/105) ======================= q-point: ( 0.23 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.120 ( 32.695 0.229 -0.971) 32.711 5.659 ( -19.296 7.265 2.472) 20.766 6.140 ( 5.308 26.741 1.657) 27.313 6.706 ( -9.947 -9.045 1.621) 13.542 7.271 ( 11.788 2.536 1.167) 12.114 7.335 ( 12.241 8.339 -3.707) 15.268 7.554 ( 4.688 -8.396 5.832) 11.246 7.761 ( -3.216 -6.245 3.201) 7.720 8.646 ( 13.582 -7.131 -6.863) 16.805 8.974 ( -15.170 -14.542 -1.372) 21.059 9.805 ( -0.134 -4.193 -1.531) 4.466 9.975 ( -12.085 -8.191 0.242) 14.602 10.866 ( -9.770 5.649 -11.144) 15.860 10.989 ( -10.927 -7.148 12.021) 17.748 12.315 ( 15.024 28.928 5.715) 33.094 12.882 ( 24.141 -22.338 -10.752) 34.603 12.992 ( 7.944 18.390 4.421) 20.515 13.276 ( 2.530 -12.913 -4.555) 13.924 13.300 ( 5.395 38.267 4.059) 38.858 14.000 ( 25.880 15.778 6.653) 31.032 14.091 ( 12.538 -20.441 2.115) 24.073 14.426 ( 16.195 -21.442 -2.895) 27.026 14.575 ( -14.326 0.365 -1.731) 14.435 15.013 ( -8.664 -26.312 -5.036) 28.155 15.784 ( 12.222 1.119 -9.064) 15.258 15.979 ( -4.012 -0.322 6.136) 7.339 16.372 ( -1.057 7.176 4.939) 8.776 16.554 ( 3.204 20.515 -0.964) 20.786 16.763 ( -14.446 -5.115 -1.324) 15.382 17.047 ( -1.154 -23.003 2.908) 23.215 17.416 ( -5.656 10.435 6.488) 13.527 17.577 ( -3.341 5.325 -11.173) 12.820 17.621 ( -5.313 10.454 9.269) 14.947 17.756 ( 0.605 1.505 -4.052) 4.364 17.956 ( -13.873 -0.959 1.339) 13.970 18.027 ( -0.957 -11.985 -2.780) 12.340 18.240 ( -0.276 7.750 0.646) 7.782 18.357 ( 0.132 4.123 -0.113) 4.127 18.822 ( 7.092 -14.044 2.027) 15.863 18.997 ( -1.946 -14.605 -1.138) 14.778 19.405 ( -3.912 9.262 2.709) 10.413 19.498 ( 1.506 9.483 -4.888) 10.775 19.902 ( -0.456 35.357 -1.099) 35.377 20.137 ( -6.580 10.734 0.207) 12.592 20.365 ( -8.679 -2.930 2.574) 9.515 20.517 ( -0.135 -8.063 -2.524) 8.450 20.830 ( 12.100 -8.702 4.001) 15.432 20.994 ( -2.741 -21.619 -3.711) 22.106 21.370 ( 0.645 11.081 -1.018) 11.146 21.678 ( -0.156 -14.402 2.599) 14.635 21.692 ( -1.933 -1.784 -4.013) 4.798 21.788 ( -4.789 -3.942 2.253) 6.599 22.140 ( -7.095 3.014 3.828) 8.607 22.194 ( -5.446 -2.058 -2.674) 6.407 22.418 ( 2.330 -1.290 2.860) 3.908 22.445 ( 0.397 -1.735 -2.098) 2.751 22.814 ( 4.515 2.720 -3.350) 6.245 22.872 ( 1.684 -1.004 2.226) 2.966 22.906 ( 1.196 3.483 0.400) 3.704 22.987 ( -1.796 -2.816 -0.317) 3.355 23.643 ( 1.549 0.683 -1.505) 2.266 23.659 ( 0.692 -0.554 2.960) 3.090 23.759 ( -4.912 0.845 -0.734) 5.038 23.795 ( -6.673 -0.816 0.677) 6.757 24.153 ( 3.155 11.457 0.924) 11.919 24.378 ( 6.428 5.299 -2.609) 8.729 24.456 ( -5.133 -4.077 -1.133) 6.652 24.620 ( -6.213 -1.115 3.423) 7.180 25.023 ( 2.151 8.353 -3.531) 9.321 25.293 ( -1.721 -13.580 1.434) 13.764 26.364 ( 4.068 -0.191 0.012) 4.072 26.390 ( 1.132 -0.001 0.057) 1.134 26.802 ( 1.017 0.219 1.150) 1.551 26.806 ( 0.966 0.102 -1.181) 1.529 28.451 ( 0.971 0.140 -0.512) 1.107 28.456 ( 0.581 0.051 0.464) 0.745 28.921 ( 7.809 0.228 0.831) 7.856 29.020 ( -0.551 -0.895 -0.530) 1.177 29.274 ( -2.434 2.723 0.232) 3.660 29.304 ( -4.030 1.728 -0.481) 4.411 29.654 ( -0.555 4.905 -0.776) 4.997 29.779 ( -0.869 -7.467 1.387) 7.645 30.122 ( -1.401 5.206 1.030) 5.489 30.178 ( 0.515 -0.337 -2.674) 2.744 30.308 ( -2.386 1.246 2.210) 3.483 30.371 ( -2.166 -4.292 -0.661) 4.853 31.172 ( -0.550 5.374 0.874) 5.473 31.302 ( 0.915 -8.331 -0.665) 8.407 31.861 ( 1.838 7.037 0.564) 7.295 32.016 ( 1.751 -9.488 -0.822) 9.683 32.925 ( 1.953 9.558 -0.899) 9.797 33.092 ( 1.131 -7.035 0.618) 7.152 34.554 ( 0.176 7.086 0.305) 7.095 34.686 ( 0.027 -6.524 -0.355) 6.534 49.752 ( 4.021 0.768 -0.288) 4.104 49.867 ( -6.958 0.134 1.029) 7.035 ======================= Grid point 98 (75/105) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.123 ( -35.608 -2.339 -0.000) 35.685 5.301 ( 28.523 -38.822 0.000) 48.174 5.927 ( 24.852 2.930 0.000) 25.024 6.762 ( -35.270 -1.677 -0.000) 35.309 7.105 ( 9.305 7.768 0.000) 12.122 7.246 ( 1.749 -1.716 0.000) 2.451 7.617 ( 10.071 3.104 0.000) 10.539 8.329 ( 12.038 37.338 0.000) 39.231 8.772 ( -25.521 1.337 -0.000) 25.556 9.382 ( 21.213 8.264 0.000) 22.766 9.865 ( -12.066 -0.296 -0.000) 12.070 9.874 ( -7.712 23.071 0.000) 24.326 11.086 ( -9.064 -28.126 -0.000) 29.550 11.503 ( -18.914 -1.746 -0.000) 18.994 11.687 ( 26.468 -19.824 0.000) 33.069 12.274 ( -12.194 -0.080 -0.000) 12.194 12.473 ( 15.504 -4.843 0.000) 16.242 12.608 ( -17.514 -10.213 -0.000) 20.274 13.557 ( -22.735 14.533 -0.000) 26.983 13.805 ( 18.644 -12.757 0.000) 22.591 13.817 ( -0.849 -8.008 -0.000) 8.053 14.629 ( -9.764 -10.504 -0.000) 14.342 14.770 ( -19.140 23.189 -0.000) 30.068 15.255 ( -18.371 6.759 -0.000) 19.575 15.545 ( 0.677 41.071 0.000) 41.077 16.317 ( 28.797 2.925 0.000) 28.946 16.511 ( 2.229 25.081 0.000) 25.180 16.941 ( -2.981 -19.989 -0.000) 20.210 16.941 ( -1.753 -11.167 -0.000) 11.304 17.097 ( -0.243 11.465 0.000) 11.467 17.318 ( 22.814 -1.330 0.000) 22.852 17.550 ( 5.785 -5.915 0.000) 8.274 17.673 ( -0.671 -24.867 -0.000) 24.876 18.060 ( 4.342 0.572 0.000) 4.379 18.252 ( 14.955 -11.904 0.000) 19.114 18.404 ( 4.267 -34.540 -0.000) 34.803 18.498 ( 3.452 11.167 0.000) 11.688 18.560 ( -17.583 -10.558 -0.000) 20.510 18.805 ( -5.588 4.746 -0.000) 7.331 18.985 ( -12.818 1.223 -0.000) 12.876 19.243 ( -15.706 -4.455 -0.000) 16.325 19.359 ( 7.519 11.444 0.000) 13.693 19.551 ( 8.253 1.919 0.000) 8.473 19.995 ( -28.822 -0.533 -0.000) 28.827 20.137 ( -1.982 -1.520 -0.000) 2.498 20.309 ( -2.414 14.760 0.000) 14.956 20.414 ( 6.831 6.793 0.000) 9.634 20.902 ( 3.624 -16.597 -0.000) 16.988 21.022 ( -5.282 -3.449 -0.000) 6.308 21.527 ( 11.099 -1.661 0.000) 11.223 21.858 ( -2.943 0.880 -0.000) 3.072 22.043 ( 9.767 28.438 0.000) 30.069 22.158 ( 7.039 -0.019 0.000) 7.039 22.306 ( -1.508 8.041 0.000) 8.181 22.497 ( -2.002 -0.489 -0.000) 2.061 22.565 ( 2.929 0.980 0.000) 3.089 22.874 ( 4.353 -3.466 0.000) 5.564 22.923 ( 3.121 -0.429 0.000) 3.151 22.948 ( 9.470 1.140 0.000) 9.539 23.023 ( -5.479 3.185 -0.000) 6.338 23.572 ( -4.177 -1.197 -0.000) 4.345 23.746 ( 10.034 1.463 0.000) 10.140 23.848 ( 8.664 -11.897 0.000) 14.718 23.963 ( -0.156 0.122 -0.000) 0.198 24.067 ( 2.160 -7.453 -0.000) 7.760 24.195 ( 9.165 -2.939 0.000) 9.625 24.258 ( -18.373 1.504 -0.000) 18.434 24.713 ( -9.487 4.421 -0.000) 10.467 24.747 ( 8.387 -6.961 0.000) 10.899 25.516 ( -1.029 8.304 0.000) 8.367 26.366 ( -7.039 -1.381 -0.000) 7.173 26.475 ( 2.549 -0.113 0.000) 2.552 26.637 ( -5.858 -0.630 -0.000) 5.892 26.738 ( 1.810 -0.069 0.000) 1.811 28.443 ( 5.692 -2.237 0.000) 6.116 28.493 ( -3.925 1.593 -0.000) 4.236 29.038 ( -2.014 3.436 -0.000) 3.983 29.045 ( -6.700 3.964 -0.000) 7.785 29.338 ( 3.966 -5.347 0.000) 6.657 29.357 ( -0.837 -4.007 -0.000) 4.094 29.580 ( 1.333 2.041 0.000) 2.438 29.779 ( 10.481 3.633 0.000) 11.093 29.812 ( -8.367 -6.113 -0.000) 10.362 30.103 ( 6.149 -1.055 0.000) 6.239 30.347 ( 1.236 -1.529 0.000) 1.966 30.565 ( 3.056 3.618 0.000) 4.736 31.162 ( 5.973 -1.837 0.000) 6.249 31.423 ( -4.726 6.909 -0.000) 8.371 31.786 ( -0.187 -4.470 -0.000) 4.474 32.167 ( -6.000 8.322 -0.000) 10.260 32.690 ( -5.841 -9.034 -0.000) 10.758 33.207 ( -0.062 4.221 0.000) 4.221 34.454 ( 1.530 -5.300 -0.000) 5.516 34.793 ( -2.003 3.826 -0.000) 4.319 49.726 ( -1.931 -1.310 -0.000) 2.333 49.982 ( 13.074 1.148 0.000) 13.125 ======================= Grid point 99 (76/105) ======================= q-point: (-0.38 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -31.438 -0.773 1.249) 31.472 4.672 ( -8.872 -32.590 -4.940) 34.135 5.216 ( -16.894 0.800 41.266) 44.597 6.260 ( -48.619 5.874 52.869) 72.065 6.730 ( -1.463 1.250 -3.589) 4.072 7.057 ( 4.813 17.858 0.247) 18.497 7.483 ( -18.208 -2.667 -49.908) 53.193 7.891 ( 2.033 -11.842 2.487) 12.270 8.148 ( -0.539 -2.089 -4.915) 5.368 8.791 ( -4.325 2.780 20.853) 21.478 9.238 ( -8.666 40.202 -9.661) 42.245 10.942 ( 5.372 -11.047 -0.646) 12.301 11.245 ( -0.812 -2.677 -52.892) 52.966 11.717 ( 1.599 -10.513 -2.493) 10.922 11.851 ( 29.393 6.679 0.657) 30.149 12.063 ( -1.683 -9.078 20.651) 22.621 12.334 ( -10.387 1.483 -4.774) 11.528 12.460 ( 19.778 5.821 10.216) 23.009 12.762 ( 6.844 6.414 11.773) 15.053 13.287 ( -13.158 13.619 1.567) 19.002 13.642 ( -17.022 -2.903 -0.872) 17.290 13.855 ( -24.285 18.931 -6.356) 31.441 14.227 ( -7.203 1.742 -23.377) 24.523 14.800 ( -2.622 -21.580 11.078) 24.398 15.053 ( -13.864 -22.678 -5.220) 27.088 15.211 ( -3.259 8.214 -4.866) 10.088 16.527 ( 4.172 -5.134 -5.976) 8.915 16.851 ( -0.208 -11.174 0.534) 11.189 17.092 ( 2.073 8.070 -1.563) 8.477 17.191 ( -1.055 -3.030 0.420) 3.236 17.377 ( 1.674 9.042 -10.606) 14.038 17.625 ( 5.930 1.912 -10.004) 11.786 17.818 ( -5.477 2.789 -0.578) 6.173 18.080 ( 6.167 -1.085 -0.389) 6.274 18.143 ( 8.564 -0.060 0.657) 8.589 18.531 ( 2.234 -34.636 -1.075) 34.724 18.611 ( -2.769 0.885 13.761) 14.064 18.854 ( 1.770 -6.320 0.951) 6.632 18.871 ( -3.223 16.720 -6.716) 18.304 19.115 ( -1.057 4.080 2.359) 4.830 19.323 ( -4.321 14.430 13.441) 20.188 19.753 ( 5.582 3.092 -4.446) 7.777 19.929 ( -0.015 1.801 9.439) 9.609 20.048 ( 2.272 -12.916 2.224) 13.302 20.250 ( 6.394 -10.488 -3.759) 12.846 20.882 ( 12.880 1.204 6.824) 14.626 21.044 ( 11.875 -4.353 12.308) 17.648 21.160 ( -2.053 3.910 1.145) 4.562 21.454 ( -3.603 -3.386 21.953) 22.503 21.860 ( 1.295 20.024 -0.770) 20.080 21.945 ( -0.126 5.662 2.690) 6.270 22.012 ( 1.375 -1.407 10.449) 10.633 22.090 ( -7.913 3.647 0.771) 8.747 22.293 ( 4.428 0.846 -2.236) 5.032 22.506 ( 6.317 -1.092 -3.958) 7.534 22.576 ( 1.590 -2.545 -2.430) 3.861 22.708 ( -2.849 -0.918 -6.702) 7.341 23.186 ( 2.409 -0.286 -5.613) 6.114 23.315 ( 5.948 3.552 2.272) 7.291 23.366 ( 3.350 0.393 9.264) 9.859 23.425 ( -7.351 -5.650 5.987) 11.036 23.657 ( 5.941 4.155 -3.507) 8.054 23.752 ( 5.664 -1.347 2.188) 6.219 23.912 ( 2.515 -5.435 -2.840) 6.627 24.151 ( -11.662 4.431 2.130) 12.656 24.404 ( -1.430 -10.614 -5.250) 11.927 24.643 ( 8.775 -0.086 -20.147) 21.975 25.027 ( 5.186 -1.866 -6.909) 8.838 25.112 ( 4.879 -1.977 -2.969) 6.044 25.511 ( 0.615 6.394 2.409) 6.861 25.839 ( -7.889 0.376 1.393) 8.020 26.114 ( -5.205 -0.800 -5.291) 7.465 26.546 ( 1.720 -1.497 13.888) 14.074 26.937 ( 3.386 1.358 2.425) 4.381 28.248 ( -4.932 0.090 -4.241) 6.505 28.286 ( -3.876 1.927 0.938) 4.429 28.647 ( -1.563 5.245 -4.790) 7.273 28.908 ( -2.141 0.033 -0.654) 2.238 29.300 ( 0.912 -10.518 4.919) 11.647 29.552 ( 3.669 -0.331 -1.252) 3.891 29.721 ( 1.992 0.274 -1.124) 2.303 29.796 ( -2.984 -3.128 8.715) 9.728 30.194 ( 2.335 3.844 -9.557) 10.563 30.359 ( 2.228 0.360 -6.240) 6.636 30.648 ( 4.868 1.972 2.692) 5.902 30.796 ( 4.724 7.598 0.472) 8.959 31.198 ( 0.549 -4.803 2.134) 5.284 31.431 ( -5.146 -3.805 -2.170) 6.758 31.511 ( 5.033 0.838 -0.112) 5.103 31.745 ( -7.758 6.025 4.200) 10.683 32.396 ( -4.611 -4.263 7.611) 9.867 32.967 ( -4.814 1.776 -5.554) 7.561 34.491 ( 0.485 -3.513 -2.646) 4.424 34.732 ( -0.234 3.112 2.228) 3.835 49.649 ( -0.311 -1.560 -0.526) 1.675 50.593 ( 7.956 1.032 -12.599) 14.937 ======================= Grid point 105 (77/105) ======================= q-point: ( 0.41 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( -43.400 -7.843 -0.000) 44.102 4.052 ( -78.838 10.864 -0.000) 79.583 5.833 ( -88.325 31.690 -0.000) 93.838 6.267 ( -0.744 -22.879 -0.000) 22.891 6.829 ( 14.897 -5.174 0.000) 15.770 6.836 ( -17.803 14.083 -0.000) 22.700 7.502 ( 0.255 51.722 0.000) 51.722 7.900 ( 5.952 0.516 0.000) 5.974 8.045 ( -1.206 23.751 0.000) 23.782 8.750 ( -2.271 -25.048 -0.000) 25.150 9.929 ( 9.138 1.901 0.000) 9.334 10.539 ( 5.255 -4.608 0.000) 6.990 10.987 ( 1.153 -3.568 -0.000) 3.749 11.346 ( 9.333 8.164 0.000) 12.400 11.977 ( 8.548 -7.554 0.000) 11.407 12.378 ( -11.429 -26.505 -0.000) 28.864 12.418 ( -4.441 -10.773 -0.000) 11.652 12.787 ( -18.633 -2.849 -0.000) 18.849 13.156 ( 4.391 -14.962 -0.000) 15.594 13.201 ( -10.283 12.682 -0.000) 16.327 13.996 ( -12.799 1.340 -0.000) 12.869 14.066 ( -26.217 32.031 -0.000) 41.392 14.869 ( 13.817 13.618 0.000) 19.400 14.907 ( 9.660 -8.532 0.000) 12.889 14.962 ( 9.229 -30.009 -0.000) 31.396 16.265 ( -9.594 -30.899 -0.000) 32.354 16.720 ( -0.055 6.781 0.000) 6.781 16.803 ( 6.207 19.991 0.000) 20.932 16.969 ( -2.836 5.709 -0.000) 6.375 17.358 ( 5.287 -13.460 0.000) 14.461 17.575 ( -8.618 12.345 -0.000) 15.055 17.864 ( -5.216 12.762 -0.000) 13.787 17.925 ( -7.323 -6.011 -0.000) 9.474 17.980 ( -0.579 5.136 0.000) 5.168 18.344 ( -1.984 6.553 0.000) 6.847 18.366 ( -1.938 4.419 -0.000) 4.826 18.487 ( -3.022 1.000 -0.000) 3.183 18.547 ( 3.276 8.953 0.000) 9.533 18.595 ( -17.591 2.900 -0.000) 17.828 19.020 ( 25.122 0.219 0.000) 25.123 19.181 ( -10.030 5.069 -0.000) 11.237 19.585 ( 2.754 -56.040 -0.000) 56.107 19.832 ( 24.815 -7.986 0.000) 26.069 20.017 ( 9.943 -1.836 0.000) 10.111 20.181 ( 3.154 -9.244 -0.000) 9.768 20.340 ( 10.384 1.654 0.000) 10.514 20.825 ( 10.691 -11.529 0.000) 15.723 20.972 ( 4.804 20.778 0.000) 21.326 21.166 ( -6.204 -7.586 -0.000) 9.800 21.484 ( -2.721 13.402 0.000) 13.676 21.732 ( -1.379 1.453 -0.000) 2.003 21.789 ( -10.527 4.327 -0.000) 11.382 22.009 ( 5.827 11.799 0.000) 13.159 22.376 ( -4.893 -4.479 -0.000) 6.633 22.458 ( 8.342 2.303 0.000) 8.654 22.688 ( 4.592 0.166 0.000) 4.595 22.937 ( -3.543 -0.626 -0.000) 3.598 22.963 ( 1.446 0.735 0.000) 1.622 23.100 ( 2.329 3.768 0.000) 4.430 23.312 ( -6.356 -0.898 -0.000) 6.419 23.596 ( 2.054 -7.843 -0.000) 8.108 23.601 ( -0.139 -1.897 -0.000) 1.902 23.861 ( -1.256 1.448 -0.000) 1.917 24.023 ( -14.868 12.969 -0.000) 19.729 24.438 ( 11.120 -4.987 0.000) 12.187 24.588 ( 22.818 4.588 0.000) 23.275 24.607 ( 15.116 -9.800 0.000) 18.015 24.792 ( 16.054 -2.637 0.000) 16.270 25.242 ( 6.497 -13.269 0.000) 14.774 25.352 ( 0.899 8.287 0.000) 8.336 26.074 ( -8.838 -4.465 -0.000) 9.902 26.272 ( -10.631 0.282 -0.000) 10.635 26.480 ( -1.383 1.396 -0.000) 1.965 26.661 ( -4.323 0.342 -0.000) 4.336 28.282 ( -4.145 4.426 -0.000) 6.064 28.643 ( 1.750 0.990 0.000) 2.010 28.651 ( -8.327 -0.259 -0.000) 8.331 28.757 ( -7.195 3.662 -0.000) 8.074 29.439 ( 0.568 -2.846 -0.000) 2.903 29.555 ( 4.255 -0.343 0.000) 4.269 29.655 ( 1.173 -4.977 -0.000) 5.114 29.747 ( -1.457 -5.878 -0.000) 6.056 30.100 ( 9.846 11.181 0.000) 14.899 30.408 ( 3.635 8.292 0.000) 9.054 30.523 ( 3.315 0.118 0.000) 3.317 30.556 ( 5.942 -3.183 0.000) 6.741 31.148 ( 0.170 2.393 0.000) 2.399 31.376 ( 3.520 1.383 0.000) 3.782 31.681 ( -10.290 6.898 -0.000) 12.388 31.803 ( -5.206 -9.718 -0.000) 11.025 32.541 ( -11.530 -9.722 -0.000) 15.082 33.074 ( -1.410 4.540 0.000) 4.754 34.617 ( -1.978 5.296 0.000) 5.653 34.641 ( 1.942 -6.203 -0.000) 6.500 49.667 ( -0.694 0.669 -0.000) 0.964 50.554 ( 18.576 6.492 0.000) 19.678 ======================= Grid point 108 (78/105) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -33.572 0.000 3.225) 33.727 3.340 ( -14.468 0.000 -50.758) 52.780 5.929 ( -21.280 0.000 -76.584) 79.485 6.455 ( -1.338 -0.000 26.075) 26.109 6.711 ( -7.802 0.000 -5.099) 9.320 6.979 ( -24.763 -0.000 46.006) 52.247 7.462 ( 17.065 -0.000 1.566) 17.137 7.896 ( -7.503 0.000 1.304) 7.616 8.099 ( 0.857 -0.000 1.546) 1.768 8.641 ( -31.734 0.000 -73.588) 80.139 9.973 ( -19.746 -0.000 82.516) 84.846 10.268 ( 3.194 0.000 -23.732) 23.946 10.760 ( -0.270 0.000 -6.653) 6.658 11.551 ( 9.491 -0.000 -7.398) 12.034 11.798 ( 10.065 -0.000 -2.686) 10.417 12.138 ( -13.620 0.000 -3.366) 14.030 12.751 ( 29.585 -0.000 25.662) 39.164 12.768 ( 6.195 -0.000 0.525) 6.217 12.996 ( 30.002 -0.000 -3.534) 30.210 13.429 ( -2.958 0.000 0.691) 3.038 13.658 ( -12.098 0.000 10.769) 16.197 13.850 ( -22.595 0.000 -9.080) 24.351 13.929 ( -23.100 0.000 0.997) 23.121 14.844 ( -18.624 0.000 -2.816) 18.836 15.096 ( -1.832 -0.000 27.789) 27.849 15.222 ( -19.151 0.000 4.867) 19.760 16.374 ( 6.639 -0.000 -0.293) 6.646 16.726 ( 3.783 -0.000 1.319) 4.007 17.011 ( 5.906 0.000 -10.305) 11.877 17.048 ( 2.622 0.000 -17.643) 17.837 17.259 ( -2.528 0.000 2.494) 3.551 17.574 ( -0.632 -0.000 6.290) 6.322 17.829 ( 1.760 0.000 -10.185) 10.336 17.980 ( 0.069 -0.000 3.670) 3.671 18.162 ( 6.096 -0.000 -4.711) 7.704 18.320 ( 1.343 -0.000 7.084) 7.211 18.493 ( -6.894 0.000 -18.572) 19.811 18.788 ( 10.560 -0.000 2.538) 10.861 18.946 ( 6.884 -0.000 -7.691) 10.322 19.397 ( -4.243 -0.000 15.306) 15.883 19.617 ( -16.352 0.000 -10.067) 19.202 19.786 ( 0.972 -0.000 1.032) 1.418 19.873 ( -0.077 0.000 -0.470) 0.476 19.971 ( -1.080 -0.000 16.454) 16.489 20.453 ( 8.770 -0.000 15.618) 17.912 20.936 ( 18.547 -0.000 -16.320) 24.705 21.092 ( 18.161 -0.000 9.378) 20.439 21.120 ( -1.000 0.000 -5.466) 5.556 21.820 ( -5.392 -0.000 13.495) 14.532 22.012 ( 7.485 -0.000 -0.164) 7.487 22.037 ( 4.464 -0.000 1.470) 4.700 22.090 ( -4.764 0.000 -0.464) 4.786 22.255 ( -3.070 0.000 -2.412) 3.904 22.328 ( 4.879 0.000 -10.759) 11.813 22.390 ( 0.429 0.000 -4.433) 4.453 22.431 ( -6.054 0.000 3.694) 7.092 22.694 ( 1.126 -0.000 12.071) 12.124 23.041 ( -1.526 0.000 -3.559) 3.873 23.108 ( 3.242 0.000 -13.976) 14.347 23.438 ( -0.231 -0.000 4.251) 4.257 23.529 ( 13.032 -0.000 -2.949) 13.362 23.819 ( 13.756 -0.000 6.058) 15.031 23.852 ( -4.989 0.000 -12.775) 13.715 23.898 ( 2.453 -0.000 5.064) 5.627 24.065 ( 1.490 -0.000 17.633) 17.696 24.230 ( -0.672 0.000 -13.123) 13.140 24.507 ( -9.899 0.000 8.004) 12.730 24.879 ( 1.832 -0.000 -1.047) 2.110 25.083 ( 3.412 -0.000 0.645) 3.472 25.623 ( 3.296 -0.000 3.104) 4.528 25.924 ( -9.051 0.000 4.515) 10.114 26.006 ( -5.050 0.000 -3.369) 6.071 26.759 ( 1.095 -0.000 7.196) 7.279 26.910 ( 6.804 -0.000 -6.353) 9.309 28.181 ( -7.792 0.000 -2.442) 8.166 28.358 ( -1.367 -0.000 4.280) 4.493 28.583 ( -1.318 0.000 -6.899) 7.024 28.797 ( -3.463 0.000 -4.336) 5.549 29.347 ( 1.999 -0.000 6.220) 6.533 29.538 ( 4.221 -0.000 0.482) 4.249 29.707 ( 1.551 -0.000 -0.312) 1.582 29.924 ( -3.615 0.000 5.690) 6.741 30.006 ( -0.617 0.000 -11.278) 11.295 30.239 ( 2.805 0.000 -5.051) 5.777 30.721 ( 8.229 -0.000 3.434) 8.917 30.891 ( 6.320 -0.000 -0.373) 6.331 31.184 ( -2.704 0.000 1.373) 3.033 31.343 ( -8.748 0.000 -1.525) 8.880 31.514 ( 10.610 -0.000 -1.774) 10.757 31.899 ( -7.878 0.000 4.533) 9.090 32.529 ( -1.749 -0.000 8.692) 8.866 32.860 ( -8.964 0.000 -5.987) 10.779 34.409 ( 0.389 0.000 -1.729) 1.772 34.814 ( 0.008 -0.000 2.352) 2.352 49.605 ( -0.620 0.000 -1.133) 1.291 50.314 ( 5.316 0.000 -13.679) 14.675 ======================= Grid point 110 (79/105) ======================= q-point: (-0.19 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.914 ( 27.946 -0.000 0.317) 27.947 5.112 ( -36.323 0.000 1.024) 36.338 5.937 ( 26.485 -0.000 -1.560) 26.531 6.815 ( -31.411 0.000 5.836) 31.948 7.155 ( -5.206 0.000 -1.842) 5.523 7.214 ( 14.522 -0.000 -0.871) 14.548 7.648 ( 9.968 -0.000 0.032) 9.968 8.576 ( 38.701 -0.000 -11.141) 40.272 8.718 ( -29.333 0.000 -3.007) 29.486 9.686 ( 18.290 -0.000 4.666) 18.875 9.856 ( -19.028 0.000 1.534) 19.090 10.383 ( -25.497 0.000 14.262) 29.215 10.564 ( -10.644 0.000 -1.118) 10.703 11.143 ( 2.360 0.000 -17.509) 17.668 11.603 ( 4.272 -0.000 6.387) 7.684 12.287 ( -3.093 0.000 -12.651) 13.024 12.456 ( 23.951 -0.000 6.352) 24.778 12.732 ( 6.032 -0.000 20.290) 21.168 13.504 ( -50.637 0.000 2.211) 50.685 13.577 ( 3.570 0.000 -7.300) 8.126 14.353 ( 1.215 -0.000 29.077) 29.102 14.476 ( -11.728 0.000 4.246) 12.473 15.031 ( -8.206 0.000 -5.091) 9.657 15.270 ( -24.817 0.000 -5.550) 25.430 16.152 ( 8.150 -0.000 -3.749) 8.971 16.235 ( 11.494 -0.000 -4.593) 12.378 16.493 ( 12.059 -0.000 0.109) 12.060 16.613 ( 2.011 0.000 -12.438) 12.600 16.904 ( -13.471 0.000 -14.666) 19.914 17.097 ( 7.073 -0.000 8.589) 11.126 17.277 ( 9.237 -0.000 -1.235) 9.319 17.476 ( 2.743 -0.000 -1.978) 3.381 17.593 ( 9.743 -0.000 6.313) 11.609 17.758 ( 10.323 -0.000 -7.367) 12.682 17.884 ( 8.259 -0.000 -12.159) 14.699 18.303 ( 17.096 -0.000 6.066) 18.140 18.355 ( -19.696 0.000 -15.340) 24.965 18.517 ( 5.923 -0.000 1.340) 6.073 19.038 ( -11.634 0.000 -13.216) 17.607 19.084 ( -24.859 0.000 2.519) 24.986 19.151 ( 5.326 -0.000 14.332) 15.290 19.479 ( -11.281 0.000 -5.417) 12.514 19.638 ( 4.292 -0.000 18.705) 19.192 19.725 ( -3.576 0.000 1.519) 3.885 20.187 ( 19.318 -0.000 -25.070) 31.649 20.585 ( -8.714 -0.000 16.062) 18.274 20.597 ( 0.978 0.000 -5.261) 5.351 20.611 ( -5.012 0.000 1.821) 5.332 21.129 ( -5.812 -0.000 20.998) 21.788 21.674 ( 4.851 -0.000 11.038) 12.057 21.899 ( -1.751 -0.000 4.129) 4.485 22.137 ( 6.767 -0.000 -1.717) 6.982 22.354 ( 0.914 0.000 -3.041) 3.175 22.385 ( 0.529 0.000 -1.976) 2.045 22.493 ( 8.849 -0.000 0.260) 8.853 22.505 ( 1.569 0.000 -4.023) 4.318 22.788 ( 3.358 -0.000 -3.053) 4.538 22.955 ( 3.066 -0.000 1.842) 3.576 22.976 ( 7.710 -0.000 0.914) 7.764 23.050 ( -6.681 0.000 -2.229) 7.043 23.496 ( -2.291 0.000 -0.470) 2.339 23.640 ( 2.565 0.000 -4.769) 5.415 23.723 ( 11.657 -0.000 -2.971) 12.030 23.936 ( 3.153 -0.000 -1.974) 3.719 23.972 ( -4.128 0.000 -2.458) 4.805 24.098 ( 2.053 0.000 -4.642) 5.076 24.455 ( -6.225 -0.000 12.174) 13.674 24.656 ( 4.428 -0.000 0.410) 4.447 24.809 ( -5.616 0.000 0.886) 5.685 25.607 ( -0.822 0.000 0.901) 1.219 26.332 ( -6.903 0.000 -0.857) 6.956 26.423 ( 1.960 -0.000 -3.079) 3.650 26.672 ( -6.121 0.000 3.329) 6.968 26.781 ( 2.831 -0.000 2.732) 3.934 28.410 ( 2.121 -0.000 -0.449) 2.168 28.520 ( -1.316 0.000 0.350) 1.362 29.057 ( -4.180 0.000 -2.694) 4.973 29.074 ( -4.043 0.000 -1.299) 4.246 29.204 ( 4.235 -0.000 -4.482) 6.166 29.318 ( 1.246 -0.000 -0.903) 1.539 29.585 ( 1.758 -0.000 -0.841) 1.948 29.788 ( -6.299 0.000 4.239) 7.592 29.882 ( 8.223 -0.000 4.928) 9.586 30.109 ( 3.174 -0.000 1.197) 3.392 30.320 ( 1.916 -0.000 -1.140) 2.230 30.576 ( 3.854 -0.000 -2.095) 4.387 31.135 ( 5.679 -0.000 -1.011) 5.768 31.500 ( -4.521 0.000 0.581) 4.558 31.741 ( -0.762 0.000 -0.304) 0.821 32.274 ( -5.543 0.000 0.956) 5.625 32.587 ( -5.514 0.000 0.089) 5.515 33.242 ( -0.533 0.000 -0.372) 0.650 34.401 ( 1.447 -0.000 -0.054) 1.448 34.825 ( -1.914 0.000 -0.351) 1.946 49.712 ( -1.211 0.000 0.029) 1.211 49.971 ( 12.527 -0.000 -1.857) 12.664 ======================= Grid point 111 (80/105) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 31.338 0.000) 31.338 1.633 ( 0.000 40.644 0.000) 40.644 2.558 ( 0.000 0.784 0.000) 0.784 5.031 ( 0.000 125.250 0.000) 125.250 6.471 ( -0.000 -4.116 -0.000) 4.116 6.892 ( 0.000 6.339 0.000) 6.339 7.232 ( -0.000 -5.234 -0.000) 5.234 8.058 ( -0.000 -3.002 -0.000) 3.002 8.333 ( -0.000 -5.028 -0.000) 5.028 9.449 ( -0.000 -44.789 -0.000) 44.789 9.906 ( -0.000 -13.743 -0.000) 13.743 10.842 ( 0.000 23.028 0.000) 23.028 10.851 ( -0.000 -13.425 -0.000) 13.425 11.111 ( 0.000 32.934 0.000) 32.934 12.023 ( 0.000 4.554 0.000) 4.554 12.395 ( -0.000 -34.790 -0.000) 34.790 12.486 ( 0.000 2.951 0.000) 2.951 12.799 ( 0.000 29.645 0.000) 29.645 12.819 ( -0.000 -18.384 -0.000) 18.384 13.065 ( -0.000 -5.682 -0.000) 5.682 13.821 ( -0.000 -15.406 -0.000) 15.406 14.082 ( -0.000 -43.325 -0.000) 43.325 14.882 ( 0.000 9.618 0.000) 9.618 15.219 ( -0.000 -1.297 -0.000) 1.297 16.213 ( 0.000 24.501 0.000) 24.501 16.547 ( -0.000 -40.586 -0.000) 40.586 16.643 ( 0.000 17.085 0.000) 17.085 16.735 ( -0.000 -36.537 -0.000) 36.537 16.934 ( 0.000 5.617 0.000) 5.617 16.976 ( -0.000 -0.126 -0.000) 0.126 16.997 ( 0.000 15.631 0.000) 15.631 17.516 ( 0.000 26.907 0.000) 26.907 17.522 ( 0.000 3.474 0.000) 3.474 17.917 ( -0.000 -20.623 -0.000) 20.623 18.033 ( 0.000 12.843 0.000) 12.843 18.109 ( 0.000 16.052 0.000) 16.052 18.308 ( 0.000 24.778 0.000) 24.778 18.498 ( 0.000 9.809 0.000) 9.809 18.730 ( -0.000 -4.288 -0.000) 4.288 18.809 ( -0.000 -21.668 -0.000) 21.668 19.492 ( -0.000 -2.303 -0.000) 2.303 20.002 ( 0.000 40.455 0.000) 40.455 20.152 ( 0.000 4.878 0.000) 4.878 20.479 ( 0.000 10.372 0.000) 10.372 20.782 ( -0.000 -38.568 -0.000) 38.568 20.793 ( -0.000 -6.642 -0.000) 6.642 20.977 ( -0.000 -2.479 -0.000) 2.479 21.013 ( -0.000 -12.236 -0.000) 12.236 21.313 ( -0.000 -10.287 -0.000) 10.287 21.365 ( -0.000 -17.151 -0.000) 17.151 21.476 ( 0.000 2.479 0.000) 2.479 21.734 ( -0.000 -4.562 -0.000) 4.562 22.231 ( -0.000 -6.020 -0.000) 6.020 22.445 ( -0.000 -0.059 -0.000) 0.059 22.527 ( 0.000 2.897 0.000) 2.897 22.727 ( 0.000 3.197 0.000) 3.197 22.750 ( 0.000 2.927 0.000) 2.927 22.828 ( 0.000 1.785 0.000) 1.785 23.053 ( 0.000 17.896 0.000) 17.896 23.103 ( -0.000 -0.228 -0.000) 0.228 23.251 ( 0.000 1.988 0.000) 1.988 23.613 ( -0.000 -2.292 -0.000) 2.292 23.781 ( 0.000 1.993 0.000) 1.993 24.063 ( -0.000 -10.620 -0.000) 10.620 24.818 ( 0.000 21.182 0.000) 21.182 24.930 ( -0.000 -5.271 -0.000) 5.271 24.933 ( -0.000 -3.195 -0.000) 3.195 25.272 ( -0.000 -0.862 -0.000) 0.862 25.501 ( -0.000 -5.021 -0.000) 5.021 25.658 ( -0.000 -14.117 -0.000) 14.117 25.909 ( -0.000 -5.884 -0.000) 5.884 26.004 ( -0.000 -0.571 -0.000) 0.571 26.412 ( 0.000 3.577 0.000) 3.577 26.527 ( 0.000 0.874 0.000) 0.874 28.096 ( 0.000 2.264 0.000) 2.264 28.352 ( 0.000 9.084 0.000) 9.084 28.517 ( -0.000 -2.606 -0.000) 2.606 28.739 ( -0.000 -1.812 -0.000) 1.812 29.431 ( 0.000 3.392 0.000) 3.392 29.657 ( -0.000 -0.790 -0.000) 0.790 29.756 ( 0.000 0.767 0.000) 0.767 29.856 ( -0.000 -9.150 -0.000) 9.150 29.926 ( 0.000 17.230 0.000) 17.230 30.327 ( 0.000 5.048 0.000) 5.048 30.766 ( -0.000 -4.199 -0.000) 4.199 30.862 ( -0.000 -8.614 -0.000) 8.614 31.166 ( 0.000 8.548 0.000) 8.548 31.292 ( 0.000 0.431 0.000) 0.431 31.397 ( 0.000 5.540 0.000) 5.540 31.834 ( -0.000 -11.742 -0.000) 11.742 32.260 ( -0.000 -2.557 -0.000) 2.557 32.976 ( 0.000 3.868 0.000) 3.868 34.484 ( 0.000 4.684 0.000) 4.684 34.794 ( -0.000 -5.039 -0.000) 5.039 49.652 ( 0.000 0.452 0.000) 0.452 51.062 ( -0.000 -0.439 -0.000) 0.439 ======================= Grid point 116 (81/105) ======================= q-point: ( 0.59 -0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( -42.447 -2.733 0.313) 42.536 4.574 ( -62.015 4.878 33.367) 70.591 5.574 ( -2.027 -27.195 -16.020) 31.628 6.665 ( -55.351 16.002 21.689) 61.564 6.800 ( -12.638 2.442 6.525) 14.431 6.949 ( -8.173 0.765 2.914) 8.711 7.758 ( 5.100 5.515 -5.210) 9.142 7.977 ( 3.964 -3.225 2.276) 5.594 8.583 ( -7.162 -2.909 11.751) 14.066 8.886 ( -3.110 31.618 -17.051) 36.057 9.664 ( -17.373 15.892 -19.275) 30.429 10.661 ( 8.970 0.603 10.077) 13.505 10.907 ( 34.640 2.857 -0.715) 34.765 11.455 ( 23.101 -5.305 -2.388) 23.822 11.779 ( -14.372 -14.503 14.045) 24.783 11.987 ( 4.502 -19.053 3.783) 19.939 12.328 ( -4.375 7.081 -10.956) 13.759 12.611 ( 0.916 -1.885 -17.541) 17.666 12.883 ( -17.499 -2.276 1.715) 17.729 13.553 ( -11.215 15.449 -1.708) 19.167 13.980 ( -19.974 -7.298 4.850) 21.812 14.457 ( -2.779 8.607 -7.542) 11.777 14.624 ( -6.915 -13.355 10.293) 18.224 14.682 ( -18.879 -0.165 -0.266) 18.882 15.193 ( 12.937 19.057 -3.645) 23.320 15.669 ( -26.643 -20.542 -8.740) 34.759 16.640 ( -0.066 -3.348 -10.009) 10.554 16.995 ( 5.803 6.376 -7.216) 11.243 17.066 ( 2.974 -7.180 -1.166) 7.859 17.174 ( -1.687 5.194 0.332) 5.471 17.567 ( -5.540 -2.625 -10.422) 12.092 17.745 ( 4.075 3.916 -2.152) 6.048 17.877 ( 4.828 3.293 -17.108) 18.079 17.985 ( -10.232 7.957 -4.407) 13.691 18.187 ( 7.967 -1.411 -7.171) 10.811 18.473 ( -3.918 -10.621 5.248) 12.478 18.542 ( 1.247 -17.924 -0.248) 17.969 18.663 ( 4.146 -1.152 3.593) 5.606 18.907 ( 8.879 -4.349 5.851) 11.488 18.946 ( 6.651 10.121 9.654) 15.488 19.177 ( 5.760 6.107 13.277) 15.708 19.358 ( 4.480 8.415 4.412) 10.505 19.597 ( 4.881 -9.401 6.963) 12.676 20.069 ( 9.308 -2.710 -1.012) 9.747 20.300 ( 4.948 -4.395 6.518) 9.289 20.483 ( 8.190 1.913 9.306) 12.543 20.552 ( 2.546 -11.258 6.050) 13.032 21.054 ( 0.308 -6.625 10.581) 12.488 21.155 ( 0.013 -1.589 6.386) 6.581 21.747 ( 0.546 2.762 0.897) 2.955 21.817 ( -2.387 -0.101 6.503) 6.928 22.083 ( -6.385 19.938 -2.554) 21.090 22.229 ( 4.072 14.071 -2.267) 14.823 22.272 ( -7.237 -0.744 -2.076) 7.565 22.482 ( 6.579 2.498 -3.046) 7.669 22.641 ( 1.815 0.370 -2.882) 3.426 22.863 ( -4.975 -1.770 -2.068) 5.671 22.991 ( 9.453 2.647 0.944) 9.861 23.168 ( 6.556 2.246 -1.696) 7.135 23.287 ( 6.454 -4.201 -0.817) 7.744 23.479 ( -11.443 -1.058 5.246) 12.632 23.641 ( -3.071 -2.802 3.924) 5.716 23.787 ( -2.146 1.740 -6.940) 7.470 24.043 ( 8.797 -8.772 -16.318) 20.509 24.290 ( -8.144 3.344 2.274) 9.093 24.406 ( 5.051 -9.979 0.538) 11.198 24.598 ( 22.040 1.857 -4.443) 22.560 24.890 ( 16.504 1.370 6.237) 17.697 25.002 ( 8.084 -5.692 -5.339) 11.236 25.517 ( -1.031 5.840 1.535) 6.125 25.987 ( -9.561 -2.928 -0.043) 9.999 26.346 ( -5.566 0.507 0.048) 5.590 26.363 ( -6.678 -0.173 -0.861) 6.736 26.802 ( -0.349 0.510 6.967) 6.994 28.337 ( -2.960 1.661 -1.176) 3.592 28.494 ( -5.168 -0.046 -5.712) 7.704 28.746 ( -3.357 3.007 0.727) 4.565 28.919 ( -3.624 5.943 3.165) 7.647 29.293 ( -0.782 -9.268 -4.011) 10.129 29.513 ( 3.953 -1.145 -1.795) 4.490 29.634 ( -1.323 -3.665 8.812) 9.635 29.700 ( 2.219 -0.802 -0.358) 2.386 30.213 ( 8.730 4.154 -2.390) 9.959 30.375 ( 7.082 -2.927 -2.973) 8.219 30.511 ( 6.042 -0.267 0.137) 6.050 30.704 ( 3.322 9.994 -0.110) 10.532 31.185 ( -4.591 -0.413 1.958) 5.008 31.387 ( 5.826 1.568 -1.739) 6.279 31.633 ( -6.164 -5.875 -1.607) 8.666 31.845 ( -10.111 6.931 2.746) 12.562 32.416 ( -8.405 -7.243 3.270) 11.567 33.123 ( -3.332 2.547 -1.690) 4.522 34.521 ( 1.881 -4.022 -1.796) 4.790 34.710 ( -1.758 3.060 1.201) 3.728 49.671 ( -0.776 -0.051 -0.431) 0.889 50.558 ( 15.854 2.096 -6.420) 17.233 ======================= Grid point 122 (82/105) ======================= q-point: ( 0.38 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 0.000 2.040 4.098) 4.578 3.201 ( 0.000 24.893 55.484) 60.812 3.294 ( 0.000 12.849 109.396) 110.148 6.020 ( -0.000 -12.199 -18.276) 21.973 6.708 ( 0.000 8.146 1.467) 8.277 7.015 ( 0.000 4.900 -10.492) 11.580 7.700 ( 0.000 80.426 9.180) 80.948 7.975 ( -0.000 -3.547 -3.871) 5.250 8.192 ( -0.000 -14.304 -1.705) 14.406 8.803 ( -0.000 -14.809 3.455) 15.207 8.946 ( -0.000 -8.646 -52.137) 52.849 11.051 ( -0.000 -16.895 26.093) 31.085 11.385 ( 0.000 20.618 11.583) 23.649 11.808 ( -0.000 -30.283 5.505) 30.780 11.888 ( 0.000 44.177 4.780) 44.435 12.045 ( -0.000 -9.015 3.874) 9.812 12.403 ( -0.000 -11.316 -6.546) 13.073 12.633 ( 0.000 3.008 2.130) 3.686 12.979 ( -0.000 0.061 -0.845) 0.847 13.117 ( -0.000 -25.942 -31.334) 40.679 13.319 ( 0.000 25.212 -2.644) 25.350 13.483 ( -0.000 -17.693 0.931) 17.717 14.834 ( -0.000 -0.786 -29.213) 29.224 15.034 ( 0.000 17.669 -8.164) 19.464 15.415 ( -0.000 -31.009 -21.653) 37.821 15.799 ( -0.000 -39.239 -10.458) 40.608 16.752 ( 0.000 10.164 8.231) 13.079 16.761 ( -0.000 0.738 -6.473) 6.515 16.966 ( 0.000 8.021 -2.856) 8.515 17.190 ( 0.000 16.485 0.504) 16.493 17.258 ( -0.000 -1.776 1.485) 2.315 17.594 ( -0.000 -13.280 7.674) 15.338 17.854 ( 0.000 20.424 -8.310) 22.050 17.913 ( 0.000 5.707 22.605) 23.315 18.381 ( -0.000 -19.212 5.537) 19.994 18.462 ( 0.000 25.780 -4.513) 26.172 18.477 ( 0.000 6.649 -13.900) 15.409 18.677 ( 0.000 6.888 21.146) 22.239 18.759 ( -0.000 -6.338 11.721) 13.325 18.865 ( 0.000 17.440 1.974) 17.551 19.592 ( -0.000 -54.429 -1.369) 54.446 19.622 ( 0.000 3.018 10.446) 10.874 20.091 ( -0.000 -3.132 -2.029) 3.732 20.311 ( -0.000 -3.768 -22.308) 22.624 20.707 ( 0.000 18.731 6.739) 19.907 20.739 ( -0.000 -7.646 -11.349) 13.684 20.889 ( -0.000 -5.947 3.630) 6.967 21.096 ( -0.000 -3.832 13.293) 13.834 21.141 ( -0.000 -6.661 9.838) 11.881 21.337 ( 0.000 21.495 3.045) 21.710 21.734 ( 0.000 -0.819 14.703) 14.726 21.828 ( -0.000 -3.520 11.748) 12.264 22.066 ( -0.000 -9.094 -0.589) 9.113 22.457 ( 0.000 2.979 -7.290) 7.875 22.493 ( 0.000 -0.163 4.236) 4.240 22.769 ( 0.000 2.633 -7.911) 8.338 22.796 ( 0.000 2.335 -0.765) 2.457 23.000 ( 0.000 -2.102 17.137) 17.266 23.117 ( 0.000 1.910 1.464) 2.407 23.311 ( 0.000 3.175 0.861) 3.290 23.443 ( 0.000 16.267 4.367) 16.843 23.508 ( -0.000 -4.440 -5.085) 6.751 23.799 ( -0.000 -2.211 2.678) 3.472 23.913 ( -0.000 -4.640 1.747) 4.958 24.531 ( -0.000 -7.500 -24.148) 25.286 24.741 ( -0.000 -5.248 -6.191) 8.115 25.108 ( -0.000 2.107 -14.040) 14.198 25.249 ( 0.000 10.814 5.072) 11.944 25.316 ( -0.000 -4.457 -9.519) 10.511 25.367 ( -0.000 -9.680 -1.788) 9.844 25.761 ( -0.000 -2.736 -0.952) 2.897 26.210 ( 0.000 1.167 -5.900) 6.014 26.288 ( -0.000 -2.888 13.129) 13.443 26.780 ( 0.000 2.199 10.746) 10.968 28.165 ( 0.000 3.430 1.155) 3.619 28.325 ( -0.000 1.165 -8.358) 8.439 28.584 ( 0.000 6.416 -0.809) 6.467 28.796 ( 0.000 -0.062 6.443) 6.443 29.442 ( -0.000 -5.380 0.971) 5.466 29.629 ( -0.000 -0.703 -1.128) 1.329 29.710 ( -0.000 -9.936 5.762) 11.486 29.759 ( 0.000 0.735 -1.070) 1.298 30.238 ( 0.000 17.127 -4.867) 17.805 30.378 ( 0.000 6.376 -4.213) 7.642 30.668 ( -0.000 -4.737 -1.212) 4.890 30.780 ( -0.000 -2.332 2.569) 3.470 31.280 ( -0.000 -3.477 1.292) 3.709 31.369 ( 0.000 9.278 3.120) 9.788 31.522 ( 0.000 4.171 2.493) 4.859 31.585 ( -0.000 -10.501 -3.047) 10.934 32.264 ( -0.000 -3.708 5.530) 6.658 32.995 ( 0.000 2.715 -4.010) 4.843 34.570 ( 0.000 3.047 -0.231) 3.055 34.682 ( -0.000 -3.709 -0.818) 3.798 49.665 ( -0.000 -0.355 0.553) 0.658 50.908 ( 0.000 2.762 -12.207) 12.516 ======================= Grid point 123 (83/105) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( 53.882 -0.000 0.000) 53.882 5.440 ( 26.980 -0.000 0.000) 26.980 5.648 ( -14.045 0.000 -0.000) 14.045 6.902 ( 14.245 -0.000 0.000) 14.245 7.143 ( -10.096 0.000 -0.000) 10.096 7.166 ( 14.977 -0.000 0.000) 14.977 7.429 ( 11.607 -0.000 0.000) 11.607 7.835 ( 30.250 -0.000 0.000) 30.250 9.483 ( -1.836 0.000 -0.000) 1.836 9.639 ( -51.352 0.000 -0.000) 51.352 9.988 ( 71.415 -0.000 0.000) 71.415 10.304 ( -20.587 0.000 -0.000) 20.587 10.836 ( -32.534 0.000 -0.000) 32.534 11.034 ( 9.478 -0.000 0.000) 9.478 11.409 ( 6.134 -0.000 0.000) 6.134 12.090 ( 13.870 -0.000 0.000) 13.870 12.487 ( -8.141 0.000 -0.000) 8.141 12.747 ( -5.152 0.000 -0.000) 5.152 13.500 ( 7.771 -0.000 0.000) 7.771 13.651 ( -0.124 0.000 -0.000) 0.124 14.413 ( -21.242 0.000 -0.000) 21.242 14.682 ( -11.314 0.000 -0.000) 11.314 15.197 ( 27.132 -0.000 0.000) 27.132 15.795 ( -16.168 0.000 -0.000) 16.168 15.983 ( 31.791 -0.000 0.000) 31.791 16.019 ( -36.576 0.000 -0.000) 36.576 16.342 ( 1.100 -0.000 0.000) 1.100 16.761 ( 8.411 -0.000 0.000) 8.411 16.834 ( -1.076 0.000 -0.000) 1.076 16.955 ( -1.588 0.000 -0.000) 1.588 17.283 ( 13.639 -0.000 0.000) 13.639 17.435 ( 1.775 -0.000 0.000) 1.775 17.437 ( -3.592 0.000 -0.000) 3.592 17.724 ( 16.510 -0.000 0.000) 16.510 17.788 ( 5.573 -0.000 0.000) 5.573 17.970 ( 7.260 -0.000 0.000) 7.260 18.703 ( -15.702 0.000 -0.000) 15.702 18.786 ( 10.651 -0.000 0.000) 10.651 18.848 ( -12.701 0.000 -0.000) 12.701 19.203 ( -5.130 0.000 -0.000) 5.130 19.369 ( -5.865 0.000 -0.000) 5.865 19.551 ( 3.418 -0.000 0.000) 3.418 19.647 ( -19.346 0.000 -0.000) 19.346 20.195 ( -7.864 0.000 -0.000) 7.864 20.311 ( 13.790 -0.000 0.000) 13.790 20.459 ( 13.486 -0.000 0.000) 13.486 20.477 ( -17.173 0.000 -0.000) 17.173 20.728 ( -7.609 0.000 -0.000) 7.609 21.080 ( -12.426 0.000 -0.000) 12.426 21.402 ( -2.952 0.000 -0.000) 2.952 21.900 ( -0.996 0.000 -0.000) 0.996 22.029 ( 6.256 -0.000 0.000) 6.256 22.254 ( 7.568 -0.000 0.000) 7.568 22.271 ( 7.158 -0.000 0.000) 7.158 22.430 ( 2.194 -0.000 0.000) 2.194 22.516 ( 3.024 -0.000 0.000) 3.024 22.778 ( 1.877 -0.000 0.000) 1.877 22.866 ( 1.116 -0.000 0.000) 1.116 22.908 ( -5.990 0.000 -0.000) 5.990 23.223 ( -8.202 0.000 -0.000) 8.202 23.605 ( -1.133 0.000 -0.000) 1.133 23.655 ( 1.985 -0.000 0.000) 1.985 23.724 ( -9.022 0.000 -0.000) 9.022 23.846 ( 4.993 -0.000 0.000) 4.993 24.068 ( 1.707 -0.000 0.000) 1.707 24.093 ( -6.069 0.000 -0.000) 6.069 24.448 ( 11.624 -0.000 0.000) 11.624 24.608 ( -14.295 0.000 -0.000) 14.295 24.952 ( -8.285 0.000 -0.000) 8.285 25.632 ( -2.475 0.000 -0.000) 2.475 26.396 ( 4.813 -0.000 0.000) 4.813 26.456 ( -2.942 0.000 -0.000) 2.942 26.655 ( 6.478 -0.000 0.000) 6.478 26.703 ( -1.571 0.000 -0.000) 1.571 28.306 ( 5.685 -0.000 0.000) 5.685 28.573 ( -2.545 0.000 -0.000) 2.545 29.114 ( 8.000 -0.000 0.000) 8.000 29.141 ( 3.314 -0.000 0.000) 3.314 29.180 ( -5.248 0.000 -0.000) 5.248 29.352 ( -3.596 0.000 -0.000) 3.596 29.578 ( 1.347 -0.000 0.000) 1.347 29.659 ( 3.764 -0.000 0.000) 3.764 29.917 ( -7.317 0.000 -0.000) 7.317 30.005 ( 3.077 -0.000 0.000) 3.077 30.354 ( -3.370 0.000 -0.000) 3.370 30.565 ( -0.557 0.000 -0.000) 0.557 31.043 ( 3.692 -0.000 0.000) 3.692 31.531 ( 0.890 -0.000 0.000) 0.890 31.714 ( 3.553 -0.000 0.000) 3.553 32.339 ( -1.579 0.000 -0.000) 1.579 32.700 ( -5.199 0.000 -0.000) 5.199 33.235 ( 1.686 -0.000 0.000) 1.686 34.378 ( 0.750 -0.000 0.000) 0.750 34.864 ( -1.381 0.000 -0.000) 1.381 49.728 ( -0.759 0.000 -0.000) 0.759 49.776 ( 8.267 -0.000 0.000) 8.267 ======================= Grid point 124 (84/105) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( -42.486 0.000 2.542) 42.562 4.570 ( -17.940 0.000 -32.267) 36.919 5.720 ( -29.547 0.000 50.278) 58.317 6.761 ( 3.549 -0.000 -2.688) 4.452 6.997 ( 12.127 -0.000 1.583) 12.230 7.122 ( -22.771 0.000 0.545) 22.777 7.855 ( -9.985 0.000 -22.826) 24.914 8.037 ( -20.214 0.000 10.413) 22.739 8.158 ( -8.025 0.000 -35.239) 36.141 9.208 ( -43.265 0.000 54.071) 69.250 9.754 ( -7.111 0.000 -7.525) 10.353 10.772 ( 4.488 -0.000 -1.138) 4.630 11.082 ( 49.002 -0.000 10.858) 50.191 11.166 ( 9.584 0.000 -22.409) 24.373 11.619 ( -1.021 0.000 -20.885) 20.910 12.087 ( 1.827 -0.000 0.521) 1.899 12.095 ( -13.755 0.000 20.892) 25.014 12.513 ( 17.859 -0.000 -7.794) 19.486 12.853 ( -16.485 0.000 3.099) 16.774 13.591 ( -7.048 0.000 -5.965) 9.233 13.936 ( -18.789 0.000 -1.536) 18.851 14.367 ( -10.621 0.000 -7.693) 13.115 14.729 ( -7.499 -0.000 16.669) 18.278 14.784 ( -41.422 0.000 -6.208) 41.884 15.277 ( 5.523 -0.000 -8.315) 9.982 15.390 ( -32.631 0.000 7.186) 33.413 16.389 ( 3.539 0.000 -9.784) 10.404 16.691 ( 1.982 0.000 -8.262) 8.497 17.026 ( 12.221 -0.000 -9.109) 15.243 17.249 ( -5.199 0.000 8.536) 9.995 17.397 ( 6.527 0.000 -21.834) 22.789 17.450 ( 4.075 -0.000 -4.241) 5.881 17.867 ( 4.237 -0.000 12.217) 12.931 17.935 ( 4.920 -0.000 -6.133) 7.862 18.114 ( 9.428 -0.000 -5.358) 10.844 18.120 ( -7.340 0.000 1.464) 7.485 18.690 ( 9.118 -0.000 -0.450) 9.129 18.738 ( -5.357 0.000 1.132) 5.475 18.994 ( 20.421 -0.000 12.011) 23.692 19.061 ( -1.117 0.000 -9.707) 9.771 19.618 ( 0.880 -0.000 11.515) 11.549 19.650 ( 6.936 -0.000 13.347) 15.042 19.758 ( 2.037 -0.000 21.080) 21.178 19.958 ( 7.562 -0.000 -9.254) 11.951 20.146 ( -16.098 0.000 -2.727) 16.327 20.591 ( 25.266 -0.000 2.736) 25.413 20.676 ( 5.584 -0.000 7.529) 9.373 21.135 ( 11.008 -0.000 -4.364) 11.841 21.503 ( -3.734 -0.000 24.837) 25.116 21.823 ( 1.889 -0.000 4.959) 5.307 21.984 ( -1.632 -0.000 6.426) 6.630 22.189 ( 1.811 -0.000 1.920) 2.639 22.214 ( -6.534 0.000 -0.661) 6.568 22.354 ( 6.210 -0.000 -3.591) 7.173 22.391 ( -1.497 0.000 -4.460) 4.705 22.607 ( -6.897 0.000 -5.626) 8.901 22.781 ( -5.215 0.000 -4.331) 6.779 23.060 ( 8.853 -0.000 -5.335) 10.337 23.129 ( 17.349 -0.000 5.265) 18.130 23.329 ( 4.096 -0.000 3.498) 5.386 23.409 ( -0.670 0.000 -13.906) 13.922 23.697 ( -1.690 0.000 -3.670) 4.040 23.730 ( -7.905 0.000 11.223) 13.727 23.756 ( 4.860 -0.000 1.590) 5.114 24.129 ( 5.674 -0.000 -7.304) 9.249 24.371 ( 10.702 -0.000 -7.341) 12.978 24.565 ( -5.541 0.000 1.218) 5.673 24.842 ( 8.697 -0.000 -4.089) 9.610 24.974 ( 8.842 -0.000 1.076) 8.908 25.593 ( -1.694 0.000 0.186) 1.704 26.008 ( -8.787 0.000 3.998) 9.654 26.220 ( -6.820 0.000 -5.000) 8.456 26.550 ( -3.139 -0.000 10.742) 11.191 26.884 ( 2.570 -0.000 -0.139) 2.574 28.319 ( -2.730 0.000 -0.389) 2.758 28.419 ( -6.060 0.000 -2.614) 6.599 28.744 ( -3.230 0.000 -4.201) 5.300 28.994 ( -4.781 0.000 -6.417) 8.002 29.155 ( 1.828 -0.000 7.171) 7.401 29.464 ( 4.797 -0.000 -1.923) 5.168 29.673 ( 2.936 -0.000 -0.776) 3.037 29.821 ( -2.552 -0.000 10.314) 10.625 30.169 ( 4.193 -0.000 -5.807) 7.162 30.264 ( 5.446 -0.000 -4.692) 7.188 30.516 ( 7.576 -0.000 0.885) 7.628 30.777 ( 7.624 -0.000 -2.038) 7.891 31.234 ( -7.646 0.000 2.892) 8.175 31.359 ( 8.386 -0.000 -2.242) 8.680 31.543 ( -7.579 0.000 -1.579) 7.742 31.994 ( -9.857 0.000 3.667) 10.517 32.435 ( -4.622 0.000 5.831) 7.441 33.098 ( -5.693 0.000 -2.820) 6.353 34.438 ( 1.086 0.000 -2.104) 2.368 34.773 ( -0.849 -0.000 1.876) 2.059 49.649 ( -1.106 0.000 -1.190) 1.625 50.396 ( 12.349 -0.000 -10.213) 16.025 ======================= Grid point 129 (85/105) ======================= q-point: ( 0.57 -0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.353 ( -41.838 -3.287 -0.000) 41.967 5.659 ( -62.935 -0.973 -0.000) 62.943 5.663 ( 5.757 -23.790 -0.000) 24.477 6.429 ( 20.075 -1.298 0.000) 20.117 7.025 ( -7.582 2.953 -0.000) 8.137 7.541 ( 17.010 5.128 0.000) 17.766 7.797 ( 7.841 2.396 0.000) 8.199 8.023 ( -49.693 40.789 -0.000) 64.290 8.548 ( -4.631 -5.800 -0.000) 7.422 9.129 ( -23.631 11.299 -0.000) 26.193 9.883 ( 10.455 20.621 0.000) 23.120 10.265 ( 29.854 -0.107 0.000) 29.854 10.837 ( -10.781 -24.082 -0.000) 26.385 11.163 ( -4.913 9.443 -0.000) 10.645 11.939 ( -17.693 -16.286 -0.000) 24.047 12.029 ( 4.256 -18.236 -0.000) 18.727 12.479 ( -0.337 4.971 0.000) 4.982 12.675 ( 8.353 -7.129 0.000) 10.982 13.128 ( -18.193 1.968 -0.000) 18.299 13.716 ( -4.772 4.954 -0.000) 6.878 14.253 ( -17.946 -8.390 -0.000) 19.810 14.261 ( 21.516 -11.058 0.000) 24.191 14.699 ( -20.488 -5.855 -0.000) 21.308 14.940 ( 8.402 19.856 0.000) 21.561 15.304 ( -26.130 28.169 -0.000) 38.422 16.290 ( -23.418 2.332 -0.000) 23.534 16.762 ( 8.183 4.942 0.000) 9.560 16.948 ( 4.762 -13.550 -0.000) 14.362 16.977 ( 8.985 -2.055 0.000) 9.217 17.034 ( 0.305 4.153 0.000) 4.165 17.649 ( 4.166 -4.736 0.000) 6.308 17.807 ( 19.296 -2.801 0.000) 19.498 17.967 ( 27.739 5.922 0.000) 28.364 18.062 ( -8.015 3.463 -0.000) 8.731 18.293 ( -2.990 -3.530 -0.000) 4.626 18.419 ( 0.532 9.682 0.000) 9.696 18.515 ( 5.987 -42.113 -0.000) 42.536 18.609 ( 9.101 -1.095 0.000) 9.166 18.665 ( -6.174 4.331 -0.000) 7.542 18.755 ( -9.810 2.962 -0.000) 10.248 19.188 ( 11.771 -16.662 0.000) 20.401 19.285 ( -34.241 3.411 -0.000) 34.410 19.438 ( -3.123 7.879 -0.000) 8.476 19.811 ( 12.385 -0.912 0.000) 12.418 20.082 ( -3.325 -3.120 -0.000) 4.559 20.305 ( 3.080 11.407 0.000) 11.815 20.495 ( 2.167 -4.266 0.000) 4.785 20.957 ( -1.476 -8.592 -0.000) 8.717 21.029 ( 6.840 -8.373 0.000) 10.812 21.724 ( 7.279 3.556 0.000) 8.101 21.799 ( -2.968 0.571 -0.000) 3.023 22.183 ( 2.374 17.914 0.000) 18.071 22.246 ( -3.095 24.676 0.000) 24.869 22.314 ( 8.849 0.887 0.000) 8.894 22.423 ( -5.197 -2.165 -0.000) 5.630 22.621 ( 2.816 0.269 0.000) 2.829 22.923 ( 0.003 -0.498 -0.000) 0.498 22.978 ( -2.389 -1.836 -0.000) 3.013 23.009 ( 9.727 -1.471 0.000) 9.837 23.149 ( 8.073 0.088 0.000) 8.073 23.552 ( 1.036 -2.076 0.000) 2.320 23.833 ( -18.308 0.187 -0.000) 18.309 23.923 ( -2.828 1.357 -0.000) 3.137 24.067 ( 13.496 -13.737 0.000) 19.257 24.104 ( 18.926 0.625 0.000) 18.937 24.186 ( 10.725 -6.179 0.000) 12.377 24.419 ( 11.314 -1.909 0.000) 11.474 24.518 ( -8.361 6.507 -0.000) 10.595 24.905 ( 7.943 -7.074 0.000) 10.637 25.503 ( -0.464 7.115 0.000) 7.130 26.196 ( -9.897 -2.544 -0.000) 10.219 26.471 ( -7.105 0.751 -0.000) 7.145 26.515 ( -2.010 -0.578 -0.000) 2.092 26.732 ( -2.203 -0.006 -0.000) 2.203 28.418 ( -3.605 2.048 -0.000) 4.147 28.546 ( 4.641 -1.920 0.000) 5.023 28.870 ( -10.434 2.733 -0.000) 10.786 28.974 ( -3.923 4.843 -0.000) 6.232 29.359 ( 1.010 -3.348 -0.000) 3.497 29.442 ( 5.605 -2.188 0.000) 6.017 29.584 ( -3.054 -2.362 -0.000) 3.861 29.684 ( -2.164 -4.691 -0.000) 5.166 30.007 ( 12.034 4.126 0.000) 12.721 30.244 ( 7.971 -1.881 0.000) 8.190 30.403 ( 4.401 -1.705 0.000) 4.719 30.642 ( 4.160 6.201 0.000) 7.467 31.287 ( 6.521 -0.225 0.000) 6.525 31.296 ( -7.591 5.009 -0.000) 9.095 31.747 ( -3.683 -5.315 -0.000) 6.466 32.016 ( -9.211 7.664 -0.000) 11.982 32.554 ( -8.031 -8.999 -0.000) 12.061 33.186 ( -1.858 3.414 -0.000) 3.887 34.492 ( 2.311 -4.766 0.000) 5.297 34.747 ( -2.566 3.424 -0.000) 4.279 49.695 ( -1.244 0.011 -0.000) 1.244 50.282 ( 17.082 2.186 0.000) 17.221 ======================= Grid point 130 (86/105) ======================= q-point: (-0.43 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -0.000 -0.273 0.826) 0.870 4.673 ( -0.000 -42.923 -27.980) 51.237 4.948 ( 0.000 13.839 72.038) 73.355 5.718 ( 0.000 3.042 71.772) 71.837 6.713 ( 0.000 0.746 -3.003) 3.094 7.112 ( 0.000 21.368 0.095) 21.369 7.278 ( -0.000 -5.729 -62.405) 62.667 7.923 ( -0.000 -18.074 11.909) 21.645 8.145 ( -0.000 -0.734 -7.889) 7.923 8.770 ( 0.000 3.147 13.923) 14.274 9.157 ( 0.000 44.200 -17.167) 47.417 10.979 ( -0.000 -18.317 2.648) 18.508 11.270 ( -0.000 4.945 -69.971) 70.145 11.666 ( -0.000 -12.361 15.591) 19.897 12.015 ( -0.000 -16.196 8.975) 18.516 12.179 ( -0.000 -3.580 -9.743) 10.380 12.241 ( 0.000 12.699 13.993) 18.896 12.869 ( 0.000 47.927 3.985) 48.092 12.872 ( 0.000 0.921 11.389) 11.426 13.067 ( 0.000 2.379 8.667) 8.987 13.374 ( -0.000 -5.606 10.912) 12.268 13.580 ( 0.000 14.113 -9.289) 16.896 14.171 ( -0.000 1.851 -32.469) 32.522 14.775 ( -0.000 -23.804 13.092) 27.167 14.855 ( -0.000 -46.731 0.052) 46.731 15.216 ( 0.000 22.509 -15.458) 27.306 16.579 ( -0.000 -5.777 -5.415) 7.918 16.840 ( -0.000 -10.165 2.462) 10.459 17.076 ( 0.000 5.067 1.065) 5.178 17.206 ( -0.000 -1.603 -0.908) 1.842 17.406 ( 0.000 14.311 -10.087) 17.509 17.715 ( 0.000 8.969 5.141) 10.338 17.744 ( -0.000 -6.112 -16.286) 17.395 18.120 ( 0.000 2.963 -9.189) 9.654 18.296 ( -0.000 -7.542 3.738) 8.417 18.546 ( 0.000 5.232 23.348) 23.927 18.559 ( -0.000 -39.366 -2.225) 39.428 18.755 ( 0.000 4.451 -1.286) 4.633 18.921 ( 0.000 6.290 6.020) 8.707 19.076 ( 0.000 6.330 -6.607) 9.151 19.305 ( 0.000 17.084 14.776) 22.587 19.818 ( -0.000 0.728 -15.220) 15.237 19.893 ( -0.000 -0.357 0.584) 0.685 20.098 ( -0.000 -11.558 5.692) 12.884 20.301 ( -0.000 -10.652 2.642) 10.975 21.060 ( 0.000 0.691 9.497) 9.522 21.098 ( 0.000 9.375 2.624) 9.735 21.232 ( -0.000 -3.744 7.643) 8.510 21.372 ( -0.000 -5.336 23.743) 24.335 21.841 ( 0.000 22.549 -1.517) 22.600 21.962 ( 0.000 0.030 6.971) 6.972 21.991 ( 0.000 6.498 1.990) 6.796 22.030 ( -0.000 -2.719 12.130) 12.430 22.356 ( 0.000 1.383 -6.583) 6.727 22.574 ( -0.000 -6.837 8.210) 10.685 22.611 ( -0.000 1.566 -10.919) 11.031 22.682 ( -0.000 -1.441 -9.507) 9.616 23.207 ( -0.000 0.166 -5.006) 5.009 23.296 ( -0.000 -6.451 13.558) 15.014 23.327 ( -0.000 -1.668 1.829) 2.476 23.463 ( 0.000 3.919 8.495) 9.356 23.781 ( 0.000 9.167 3.057) 9.663 23.854 ( -0.000 -3.037 6.075) 6.792 23.937 ( -0.000 -2.674 -11.912) 12.208 23.948 ( 0.000 4.133 2.218) 4.691 24.380 ( -0.000 -14.382 -10.051) 17.546 24.744 ( -0.000 1.462 -24.001) 24.046 25.070 ( -0.000 -1.549 -7.555) 7.712 25.155 ( -0.000 -3.111 -3.606) 4.762 25.543 ( 0.000 6.837 4.291) 8.072 25.737 ( -0.000 -0.611 1.303) 1.439 26.059 ( -0.000 0.358 -6.509) 6.519 26.572 ( 0.000 -2.403 14.553) 14.750 26.979 ( 0.000 1.778 4.149) 4.514 28.182 ( -0.000 -0.300 -5.018) 5.027 28.255 ( 0.000 2.823 1.252) 3.088 28.631 ( 0.000 5.714 -5.026) 7.610 28.886 ( -0.000 -0.865 -0.666) 1.091 29.309 ( -0.000 -10.597 5.751) 12.057 29.595 ( -0.000 -0.340 -0.905) 0.966 29.742 ( 0.000 0.350 -1.371) 1.415 29.758 ( -0.000 -2.900 8.068) 8.573 30.216 ( 0.000 3.474 -11.065) 11.597 30.380 ( 0.000 2.006 -6.264) 6.578 30.698 ( 0.000 3.457 3.279) 4.765 30.851 ( 0.000 6.276 1.133) 6.377 31.220 ( -0.000 -6.677 2.547) 7.146 31.350 ( -0.000 -5.935 -4.243) 7.296 31.612 ( 0.000 6.581 5.282) 8.439 31.628 ( 0.000 2.278 1.416) 2.683 32.348 ( -0.000 -3.076 8.638) 9.170 32.914 ( -0.000 1.267 -7.150) 7.262 34.496 ( -0.000 -3.258 -2.791) 4.291 34.730 ( 0.000 2.988 2.354) 3.804 49.646 ( -0.000 -1.817 -0.475) 1.878 50.675 ( -0.000 0.788 -13.878) 13.900 ======================= Grid point 136 (87/105) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -68.168 16.932 -0.000) 70.239 2.801 ( -37.306 -3.194 -0.000) 37.443 3.776 (-102.434 23.388 -0.000) 105.070 6.256 ( -0.310 -21.747 -0.000) 21.749 6.683 ( -2.734 25.239 0.000) 25.387 7.059 ( 8.188 -3.373 0.000) 8.856 7.537 ( 3.199 82.817 0.000) 82.879 7.981 ( 2.362 -1.750 0.000) 2.939 8.189 ( 8.884 5.005 0.000) 10.197 8.713 ( -1.024 -29.813 -0.000) 29.831 9.830 ( -12.247 -9.201 -0.000) 15.319 10.591 ( 0.825 -10.937 -0.000) 10.968 11.320 ( -5.182 18.109 0.000) 18.836 11.354 ( 29.193 20.935 0.000) 35.924 11.933 ( -14.630 -30.223 -0.000) 33.577 12.165 ( -9.744 -17.963 -0.000) 20.435 12.559 ( -1.397 3.763 0.000) 4.014 12.648 ( 21.842 -7.375 0.000) 23.053 12.801 ( -19.912 13.269 -0.000) 23.928 13.366 ( 6.509 -21.524 -0.000) 22.487 13.570 ( -19.914 26.172 -0.000) 32.886 13.715 ( -15.713 -10.354 -0.000) 18.818 15.037 ( 6.055 5.087 0.000) 7.908 15.101 ( 7.989 -5.010 0.000) 9.430 15.405 ( 28.325 -22.080 0.000) 35.914 16.053 ( -9.369 -42.124 -0.000) 43.153 16.677 ( -3.424 8.113 -0.000) 8.806 16.914 ( -1.546 5.723 0.000) 5.929 16.960 ( 8.290 23.241 0.000) 24.675 17.366 ( -12.121 11.449 -0.000) 16.673 17.431 ( 2.346 -19.903 -0.000) 20.041 17.526 ( -28.891 -0.662 -0.000) 28.899 17.729 ( -7.403 8.932 -0.000) 11.601 17.980 ( -0.582 16.678 0.000) 16.688 18.249 ( -4.561 5.369 -0.000) 7.045 18.290 ( 5.163 1.593 0.000) 5.403 18.473 ( 2.187 2.243 0.000) 3.133 18.582 ( 3.486 3.758 0.000) 5.126 18.651 ( 4.593 10.389 0.000) 11.359 18.972 ( -11.220 14.563 -0.000) 18.384 19.407 ( 11.306 3.212 0.000) 11.754 19.604 ( -0.300 -53.372 -0.000) 53.373 20.181 ( 5.796 -13.448 0.000) 14.644 20.277 ( 15.915 -2.798 0.000) 16.160 20.471 ( 26.072 0.510 0.000) 26.077 20.547 ( 11.432 -1.851 0.000) 11.580 20.978 ( -11.327 -12.716 -0.000) 17.030 20.985 ( 4.110 -10.939 -0.000) 11.685 21.037 ( 1.395 16.549 0.000) 16.607 21.412 ( -5.185 15.262 0.000) 16.119 21.574 ( -9.367 2.211 -0.000) 9.624 21.707 ( -1.038 -0.250 -0.000) 1.068 22.102 ( 0.408 1.714 0.000) 1.762 22.325 ( 3.247 -1.915 0.000) 3.770 22.624 ( 8.343 2.915 0.000) 8.837 22.768 ( -10.787 -1.281 -0.000) 10.863 22.771 ( 3.615 -0.356 0.000) 3.632 23.030 ( -11.234 1.908 -0.000) 11.395 23.098 ( 9.796 6.534 0.000) 11.776 23.140 ( -3.266 1.071 -0.000) 3.438 23.581 ( -1.367 -2.343 -0.000) 2.713 23.691 ( -17.740 13.191 -0.000) 22.106 23.730 ( 5.171 -9.275 0.000) 10.619 23.861 ( 1.649 -0.746 0.000) 1.810 24.670 ( 12.451 -3.570 0.000) 12.952 24.778 ( 4.263 -11.403 -0.000) 12.173 24.998 ( 16.145 8.859 0.000) 18.416 25.180 ( 19.189 -2.443 0.000) 19.344 25.337 ( -2.798 5.940 -0.000) 6.566 25.354 ( 4.524 -12.303 -0.000) 13.109 25.905 ( -8.224 -6.024 -0.000) 10.194 26.081 ( -7.956 0.075 -0.000) 7.956 26.468 ( 0.193 2.442 0.000) 2.450 26.579 ( -3.460 0.632 -0.000) 3.517 28.199 ( -4.036 4.217 -0.000) 5.837 28.523 ( -4.316 -1.262 -0.000) 4.496 28.600 ( -4.820 10.650 -0.000) 11.690 28.697 ( 0.440 -2.276 -0.000) 2.318 29.445 ( 0.001 -1.616 -0.000) 1.616 29.620 ( 2.214 -0.691 0.000) 2.320 29.650 ( -0.940 -12.478 -0.000) 12.514 29.755 ( 1.353 -0.017 0.000) 1.353 30.251 ( 4.778 16.539 0.000) 17.215 30.418 ( 0.069 9.335 0.000) 9.335 30.642 ( 6.268 -6.211 0.000) 8.824 30.666 ( 4.661 -2.119 0.000) 5.120 31.188 ( 3.646 0.428 0.000) 3.671 31.445 ( 3.412 3.133 0.000) 4.632 31.478 ( -9.868 6.159 -0.000) 11.633 31.691 ( -5.655 -9.819 -0.000) 11.331 32.316 ( -10.189 -6.285 -0.000) 11.972 33.048 ( -1.025 3.244 0.000) 3.402 34.584 ( -1.244 4.687 0.000) 4.850 34.677 ( 1.540 -5.556 -0.000) 5.765 49.660 ( -0.116 0.421 0.000) 0.437 50.896 ( 14.494 2.761 0.000) 14.755 ======================= Grid point 139 (88/105) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 0.000 -0.000 0.577) 0.577 3.199 ( -0.000 0.000 -53.627) 53.627 5.694 ( -0.000 0.000 -80.483) 80.483 6.516 ( 0.000 -0.000 8.529) 8.529 6.612 ( 0.000 -0.000 74.249) 74.249 6.633 ( -0.000 0.000 -7.027) 7.027 7.658 ( 0.000 -0.000 1.152) 1.152 7.833 ( 0.000 -0.000 2.331) 2.331 8.093 ( 0.000 -0.000 0.042) 0.042 8.319 ( -0.000 0.000 -80.835) 80.835 9.789 ( 0.000 -0.000 82.813) 82.813 10.310 ( -0.000 0.000 -23.553) 23.553 10.751 ( -0.000 0.000 -5.538) 5.538 11.801 ( -0.000 0.000 -21.159) 21.159 11.812 ( 0.000 -0.000 9.317) 9.317 11.873 ( -0.000 0.000 -1.738) 1.738 12.877 ( -0.000 0.000 -4.914) 4.914 13.211 ( 0.000 -0.000 42.873) 42.873 13.305 ( -0.000 0.000 -30.588) 30.588 13.393 ( 0.000 -0.000 7.169) 7.169 13.528 ( 0.000 -0.000 10.693) 10.693 13.650 ( -0.000 0.000 -13.681) 13.681 13.658 ( 0.000 -0.000 14.239) 14.239 14.490 ( 0.000 -0.000 20.323) 20.323 15.062 ( -0.000 0.000 -19.753) 19.753 15.074 ( 0.000 -0.000 30.532) 30.532 16.449 ( 0.000 -0.000 1.256) 1.256 16.762 ( 0.000 -0.000 2.282) 2.282 17.045 ( -0.000 0.000 -9.696) 9.696 17.110 ( -0.000 0.000 -20.555) 20.555 17.225 ( 0.000 -0.000 6.111) 6.111 17.570 ( 0.000 -0.000 0.679) 0.679 17.846 ( -0.000 0.000 -10.484) 10.484 17.983 ( 0.000 -0.000 7.104) 7.104 18.225 ( -0.000 0.000 -3.140) 3.140 18.332 ( 0.000 -0.000 3.957) 3.957 18.408 ( -0.000 0.000 -19.238) 19.238 18.995 ( -0.000 0.000 -2.008) 2.008 19.020 ( -0.000 0.000 -9.537) 9.537 19.205 ( 0.000 -0.000 25.218) 25.218 19.495 ( -0.000 0.000 -15.973) 15.973 19.811 ( -0.000 0.000 -7.144) 7.144 19.852 ( 0.000 -0.000 8.013) 8.013 19.958 ( 0.000 -0.000 18.073) 18.073 20.534 ( 0.000 -0.000 14.285) 14.285 21.055 ( -0.000 0.000 -14.102) 14.102 21.158 ( -0.000 0.000 -5.072) 5.072 21.338 ( 0.000 -0.000 8.170) 8.170 21.724 ( 0.000 -0.000 13.519) 13.519 22.030 ( 0.000 -0.000 2.673) 2.673 22.083 ( 0.000 -0.000 7.587) 7.587 22.119 ( -0.000 0.000 -2.862) 2.862 22.223 ( -0.000 0.000 -7.456) 7.456 22.368 ( 0.000 -0.000 2.270) 2.270 22.387 ( -0.000 0.000 -6.700) 6.700 22.388 ( -0.000 0.000 -10.575) 10.575 22.715 ( 0.000 -0.000 15.764) 15.764 23.018 ( -0.000 0.000 -6.779) 6.779 23.149 ( -0.000 0.000 -10.304) 10.304 23.429 ( 0.000 -0.000 4.996) 4.996 23.652 ( 0.000 -0.000 3.367) 3.367 23.778 ( -0.000 0.000 -19.180) 19.180 23.929 ( 0.000 -0.000 4.057) 4.057 24.044 ( 0.000 -0.000 0.330) 0.330 24.078 ( 0.000 -0.000 22.818) 22.818 24.242 ( -0.000 0.000 -15.861) 15.861 24.308 ( 0.000 -0.000 12.556) 12.556 24.900 ( -0.000 0.000 -3.058) 3.058 25.117 ( 0.000 -0.000 0.754) 0.754 25.705 ( 0.000 -0.000 5.190) 5.190 25.784 ( 0.000 -0.000 3.546) 3.546 25.953 ( -0.000 0.000 -3.887) 3.887 26.774 ( 0.000 -0.000 6.557) 6.557 26.994 ( -0.000 0.000 -4.702) 4.702 28.091 ( -0.000 0.000 -3.409) 3.409 28.344 ( 0.000 -0.000 4.677) 4.677 28.572 ( -0.000 0.000 -7.356) 7.356 28.760 ( -0.000 0.000 -4.240) 4.240 29.367 ( 0.000 -0.000 6.444) 6.444 29.587 ( 0.000 -0.000 0.486) 0.486 29.723 ( -0.000 0.000 -0.590) 0.590 29.881 ( 0.000 -0.000 5.854) 5.854 29.999 ( -0.000 0.000 -12.088) 12.088 30.268 ( -0.000 0.000 -5.358) 5.358 30.816 ( 0.000 -0.000 5.204) 5.204 30.959 ( 0.000 -0.000 0.198) 0.198 31.200 ( -0.000 0.000 -4.849) 4.849 31.201 ( 0.000 -0.000 3.207) 3.207 31.652 ( -0.000 0.000 -1.209) 1.209 31.799 ( 0.000 -0.000 6.128) 6.128 32.510 ( 0.000 -0.000 9.457) 9.457 32.754 ( -0.000 0.000 -8.978) 8.978 34.413 ( -0.000 0.000 -1.812) 1.812 34.814 ( 0.000 -0.000 2.443) 2.443 49.599 ( -0.000 0.000 -1.130) 1.130 50.368 ( -0.000 0.000 -14.845) 14.845 ======================= Grid point 141 (89/105) ======================= q-point: (-0.25 0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( -42.196 0.000 0.903) 42.206 5.223 ( 3.609 0.000 -11.190) 11.758 5.888 ( -56.750 0.000 16.417) 59.077 6.423 ( 22.737 -0.000 0.237) 22.738 7.030 ( -6.309 0.000 -1.254) 6.433 7.467 ( 8.095 -0.000 -9.491) 12.474 7.825 ( 7.543 -0.000 0.296) 7.549 8.313 ( -22.274 0.000 -0.065) 22.274 9.042 ( 11.674 -0.000 -16.953) 20.584 9.179 ( -54.370 0.000 45.061) 70.616 10.145 ( -1.596 0.000 -16.849) 16.924 10.225 ( 20.472 -0.000 -4.987) 21.071 10.374 ( 15.655 -0.000 7.693) 17.444 11.134 ( 3.265 0.000 -11.406) 11.865 11.725 ( 5.223 -0.000 -4.428) 6.847 11.973 ( -24.442 0.000 20.131) 31.664 12.497 ( -8.650 0.000 -3.224) 9.231 12.856 ( -13.522 0.000 -23.554) 27.159 12.895 ( 3.867 -0.000 13.064) 13.624 13.731 ( 6.856 -0.000 -2.932) 7.456 14.223 ( -14.400 0.000 7.285) 16.138 14.371 ( 2.423 -0.000 17.107) 17.278 14.727 ( -26.631 0.000 5.940) 27.285 15.109 ( 10.915 -0.000 -6.024) 12.467 15.663 ( -35.572 0.000 3.974) 35.793 16.186 ( -36.117 0.000 -12.230) 38.132 16.605 ( -1.159 0.000 -11.516) 11.574 16.746 ( 10.692 -0.000 -2.077) 10.891 16.893 ( 21.239 -0.000 -8.030) 22.706 17.199 ( 2.832 -0.000 9.366) 9.785 17.534 ( 2.429 0.000 -5.971) 6.446 17.596 ( 17.343 -0.000 -16.270) 23.780 17.879 ( -1.136 0.000 -18.606) 18.641 17.932 ( 7.417 -0.000 -6.636) 9.952 18.041 ( 7.338 -0.000 -5.227) 9.009 18.180 ( 20.492 -0.000 1.785) 20.570 18.532 ( 8.444 -0.000 -3.124) 9.003 18.558 ( -22.192 0.000 -5.724) 22.918 18.836 ( 18.256 -0.000 13.670) 22.807 18.865 ( -10.934 0.000 2.898) 11.312 19.231 ( 4.591 -0.000 19.604) 20.134 19.258 ( -7.583 0.000 6.779) 10.171 19.636 ( -7.008 0.000 6.882) 9.822 19.820 ( 13.544 -0.000 2.770) 13.825 20.350 ( 4.815 0.000 -11.200) 12.191 20.387 ( -10.651 0.000 10.604) 15.030 20.499 ( -5.589 0.000 7.507) 9.359 20.894 ( 19.752 -0.000 -5.220) 20.430 21.030 ( -4.027 -0.000 23.214) 23.561 21.744 ( 2.181 -0.000 1.638) 2.728 21.862 ( -1.909 -0.000 5.781) 6.088 22.283 ( 8.236 -0.000 -3.249) 8.854 22.300 ( -5.619 0.000 -1.751) 5.886 22.357 ( -3.652 0.000 -2.517) 4.436 22.528 ( 0.809 0.000 -6.969) 7.015 22.697 ( 9.382 -0.000 2.285) 9.657 22.878 ( 2.272 -0.000 -1.929) 2.980 22.907 ( -3.927 0.000 -3.923) 5.551 22.981 ( 4.039 -0.000 -1.034) 4.169 23.174 ( 7.457 -0.000 1.261) 7.563 23.505 ( 1.989 -0.000 1.007) 2.229 23.731 ( 6.084 -0.000 -9.464) 11.251 23.868 ( -2.965 0.000 -5.611) 6.346 23.871 ( -14.112 0.000 1.625) 14.205 24.091 ( 22.086 -0.000 -1.395) 22.130 24.092 ( 5.818 -0.000 -3.087) 6.586 24.582 ( 14.936 -0.000 11.450) 18.820 24.631 ( -7.323 0.000 3.354) 8.054 24.805 ( 5.571 -0.000 -3.519) 6.589 25.592 ( -0.813 -0.000 1.643) 1.833 26.159 ( -10.155 0.000 -0.193) 10.156 26.422 ( -2.014 0.000 -5.124) 5.506 26.526 ( -8.485 0.000 4.132) 9.438 26.808 ( 0.287 -0.000 4.306) 4.315 28.399 ( -2.332 0.000 -2.359) 3.317 28.530 ( 0.928 -0.000 -0.662) 1.139 28.903 ( -8.627 0.000 -0.796) 8.664 29.042 ( -0.934 -0.000 1.655) 1.901 29.216 ( -1.943 0.000 -6.922) 7.190 29.405 ( 5.693 -0.000 -1.482) 5.883 29.633 ( 2.980 -0.000 -1.205) 3.215 29.666 ( -5.320 0.000 8.981) 10.438 30.065 ( 9.884 -0.000 1.321) 9.972 30.209 ( 6.513 -0.000 -1.475) 6.678 30.387 ( 4.785 -0.000 -0.077) 4.786 30.680 ( 6.418 -0.000 -1.899) 6.693 31.263 ( 7.131 -0.000 -2.081) 7.429 31.362 ( -9.021 0.000 1.323) 9.118 31.688 ( -4.457 0.000 -0.712) 4.513 32.126 ( -9.291 0.000 1.883) 9.480 32.470 ( -6.413 0.000 1.685) 6.631 33.211 ( -2.585 0.000 -0.715) 2.682 34.437 ( 2.139 -0.000 -0.748) 2.266 34.783 ( -2.294 0.000 0.319) 2.316 49.689 ( -1.102 0.000 -0.482) 1.202 50.257 ( 16.037 -0.000 -4.073) 16.546 ======================= Grid point 148 (90/105) ======================= q-point: ( 0.54 -0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -31.421 -1.303 0.580) 31.454 3.569 ( -33.875 8.191 60.862) 70.134 4.860 ( -89.799 12.210 60.194) 108.795 5.531 ( -2.023 -27.995 -19.735) 34.311 6.799 ( -2.062 1.343 -2.970) 3.857 7.073 ( 8.275 7.804 0.105) 11.375 7.849 ( 3.441 -4.918 -10.595) 12.177 7.984 ( -2.577 -6.416 -2.801) 7.460 8.566 ( 2.820 1.232 9.110) 9.615 8.872 ( -2.234 12.881 -42.473) 44.440 9.391 ( -5.941 48.783 -8.783) 49.922 10.753 ( 2.102 -8.670 17.011) 19.208 11.480 ( -10.292 -16.596 3.624) 19.862 11.555 ( 10.723 -1.325 11.939) 16.103 11.829 ( 28.858 3.646 5.242) 29.556 12.012 ( -8.844 1.505 13.717) 16.390 12.494 ( 22.486 -1.854 -10.133) 24.733 12.609 ( -4.934 0.732 -3.454) 6.067 12.693 ( 5.603 -6.591 -25.725) 27.140 13.260 ( -19.081 22.995 0.712) 29.889 13.568 ( -22.842 -5.244 5.364) 24.042 13.977 ( -23.795 18.218 -4.468) 30.300 14.629 ( 5.777 -21.775 -3.619) 22.817 14.723 ( 2.890 -19.352 -9.140) 21.596 15.213 ( -17.308 -29.513 -13.781) 36.885 15.420 ( 8.737 19.816 -9.749) 23.750 16.672 ( 3.712 -2.469 -6.389) 7.790 16.972 ( -7.514 -4.336 -13.724) 16.236 17.101 ( -0.933 -1.954 -1.287) 2.519 17.121 ( -0.672 4.395 6.237) 7.659 17.501 ( 0.261 8.702 -0.827) 8.745 17.706 ( -8.545 12.076 0.112) 14.794 17.883 ( 6.513 -4.066 2.955) 8.227 18.055 ( 3.627 4.725 -4.979) 7.763 18.238 ( -2.890 3.082 3.324) 5.376 18.406 ( 2.800 -0.966 -7.667) 8.220 18.587 ( 2.134 -37.842 -3.613) 38.074 18.697 ( -3.402 -7.773 8.935) 12.322 18.859 ( -1.986 9.663 24.511) 26.422 18.978 ( -0.816 15.076 0.022) 15.098 19.231 ( -2.731 12.902 -5.063) 14.127 19.610 ( 9.779 3.674 12.762) 16.492 19.829 ( 15.508 -5.311 -3.960) 16.863 20.164 ( 4.153 -5.624 -8.270) 10.829 20.488 ( 6.684 -12.470 -10.922) 17.873 20.624 ( 11.452 -3.986 16.300) 20.316 20.734 ( 11.519 -2.155 13.980) 18.242 21.012 ( -7.204 0.377 9.369) 11.825 21.091 ( -1.720 -6.410 10.587) 12.495 21.728 ( -1.346 -0.312 10.959) 11.045 21.782 ( -1.108 -1.287 8.001) 8.180 21.950 ( -8.125 16.467 -0.854) 18.382 22.108 ( -7.729 8.107 -1.896) 11.360 22.345 ( 7.585 5.556 -2.366) 9.695 22.568 ( -0.359 -1.084 -5.167) 5.292 22.702 ( 5.816 1.887 -4.147) 7.388 22.802 ( -0.121 -1.085 -1.135) 1.575 23.143 ( -6.370 1.093 8.466) 10.651 23.179 ( -8.025 -0.998 6.295) 10.248 23.239 ( 8.868 4.566 2.219) 10.218 23.412 ( 2.234 -4.619 -6.898) 8.597 23.686 ( 3.611 -2.216 4.753) 6.368 23.755 ( -1.157 2.849 -4.874) 5.762 24.038 ( -13.189 6.539 6.574) 16.122 24.260 ( 12.063 -6.688 -21.930) 25.907 24.505 ( 2.810 -14.304 -3.519) 14.996 24.981 ( 14.651 1.777 -11.205) 18.530 25.151 ( 6.141 -3.619 -4.311) 8.331 25.171 ( 10.846 -0.699 -0.927) 10.908 25.477 ( -2.571 6.338 0.889) 6.897 25.816 ( -7.835 -2.481 0.912) 8.269 26.239 ( -3.247 -0.693 12.352) 12.790 26.281 ( -2.632 0.200 -9.577) 9.934 26.804 ( 0.587 1.088 9.879) 9.956 28.272 ( -3.805 2.785 0.176) 4.719 28.378 ( -4.574 -0.314 -7.634) 8.905 28.718 ( -0.424 3.891 -0.869) 4.009 28.854 ( -2.619 6.524 4.654) 8.431 29.278 ( -0.649 -11.698 -3.089) 12.117 29.566 ( 1.285 -2.857 3.477) 4.680 29.616 ( -0.212 -2.283 4.872) 5.384 29.749 ( 2.107 0.402 -1.190) 2.453 30.356 ( 5.414 3.942 -5.643) 8.757 30.484 ( 3.427 -1.404 -5.365) 6.519 30.615 ( 3.907 3.795 0.309) 5.456 30.760 ( 2.872 9.103 3.146) 10.050 31.153 ( 0.998 -5.886 1.750) 6.221 31.464 ( -0.403 -0.872 -1.027) 1.406 31.529 ( -1.897 -2.074 -1.615) 3.242 31.659 ( -7.897 5.519 3.973) 10.422 32.264 ( -6.346 -4.647 4.766) 9.197 33.061 ( -2.633 1.722 -3.203) 4.490 34.550 ( 0.979 -3.194 -2.774) 4.342 34.686 ( -0.679 2.452 2.115) 3.309 49.660 ( -0.347 -0.293 -0.450) 0.639 50.826 ( 10.369 1.139 -8.784) 13.637 ======================= Grid point 156 (91/105) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.905 ( 34.668 -0.000 0.000) 34.668 5.102 ( -35.977 0.000 -0.000) 35.977 5.955 ( 25.196 -0.000 0.000) 25.196 6.753 ( -35.045 0.000 -0.000) 35.045 7.175 ( -6.026 0.000 -0.000) 6.026 7.227 ( 18.331 -0.000 0.000) 18.331 7.647 ( 10.269 -0.000 0.000) 10.269 8.694 ( 39.268 -0.000 0.000) 39.268 8.788 ( -28.852 0.000 -0.000) 28.852 9.637 ( 21.536 -0.000 0.000) 21.536 9.711 ( -43.258 0.000 -0.000) 43.258 10.328 ( -16.724 0.000 -0.000) 16.724 10.573 ( -1.982 0.000 -0.000) 1.982 11.412 ( -5.889 0.000 -0.000) 5.889 11.512 ( 30.693 -0.000 0.000) 30.693 12.385 ( -31.082 0.000 -0.000) 31.082 12.407 ( 2.093 -0.000 0.000) 2.093 12.427 ( 15.206 -0.000 0.000) 15.206 13.658 ( 2.694 -0.000 0.000) 2.694 13.763 ( 17.623 -0.000 0.000) 17.623 13.785 ( -38.094 0.000 -0.000) 38.094 14.429 ( -14.084 0.000 -0.000) 14.084 15.086 ( -6.739 0.000 -0.000) 6.739 15.337 ( -30.337 0.000 -0.000) 30.337 16.139 ( -14.939 0.000 -0.000) 14.939 16.359 ( 38.754 -0.000 0.000) 38.754 16.486 ( 12.832 -0.000 0.000) 12.832 16.804 ( -1.967 0.000 -0.000) 1.967 16.944 ( 8.369 -0.000 0.000) 8.369 17.072 ( -24.078 0.000 -0.000) 24.078 17.266 ( 20.341 -0.000 0.000) 20.341 17.513 ( 5.383 -0.000 0.000) 5.383 17.518 ( 15.179 -0.000 0.000) 15.179 17.904 ( 6.129 -0.000 0.000) 6.129 18.081 ( 4.236 -0.000 0.000) 4.236 18.098 ( 21.606 -0.000 0.000) 21.606 18.530 ( -17.589 0.000 -0.000) 17.589 18.619 ( 8.082 -0.000 0.000) 8.082 18.867 ( -5.055 0.000 -0.000) 5.055 18.985 ( -17.379 0.000 -0.000) 17.379 19.194 ( -20.941 0.000 -0.000) 20.941 19.441 ( 14.930 -0.000 0.000) 14.930 19.595 ( -0.457 0.000 -0.000) 0.457 19.995 ( -31.137 0.000 -0.000) 31.137 20.123 ( -2.595 0.000 -0.000) 2.595 20.521 ( -3.448 0.000 -0.000) 3.448 20.591 ( -6.964 0.000 -0.000) 6.964 20.633 ( 17.769 -0.000 0.000) 17.769 20.889 ( -6.771 0.000 -0.000) 6.771 21.521 ( 12.130 -0.000 0.000) 12.130 21.861 ( -2.731 0.000 -0.000) 2.731 22.160 ( 7.351 -0.000 0.000) 7.351 22.358 ( 1.565 -0.000 0.000) 1.565 22.403 ( 3.612 -0.000 0.000) 3.612 22.498 ( 6.363 -0.000 0.000) 6.363 22.573 ( 2.691 -0.000 0.000) 2.691 22.839 ( 4.738 -0.000 0.000) 4.738 22.915 ( 2.120 -0.000 0.000) 2.120 22.962 ( 10.063 -0.000 0.000) 10.063 23.074 ( -7.061 0.000 -0.000) 7.061 23.517 ( -4.016 0.000 -0.000) 4.016 23.704 ( 5.123 -0.000 0.000) 5.123 23.764 ( 10.339 -0.000 0.000) 10.339 23.948 ( 5.323 -0.000 0.000) 5.323 24.002 ( -3.824 0.000 -0.000) 3.824 24.175 ( 8.849 -0.000 0.000) 8.849 24.277 ( -18.677 0.000 -0.000) 18.677 24.639 ( 6.880 -0.000 0.000) 6.880 24.801 ( -6.238 0.000 -0.000) 6.238 25.595 ( -1.421 0.000 -0.000) 1.421 26.351 ( -7.599 0.000 -0.000) 7.599 26.474 ( 2.879 -0.000 0.000) 2.879 26.630 ( -5.807 0.000 -0.000) 5.807 26.737 ( 1.834 -0.000 0.000) 1.834 28.420 ( 5.813 -0.000 0.000) 5.813 28.508 ( -3.692 0.000 -0.000) 3.692 29.088 ( -3.794 0.000 -0.000) 3.794 29.092 ( -7.255 0.000 -0.000) 7.255 29.272 ( 7.838 -0.000 0.000) 7.838 29.311 ( -0.585 0.000 -0.000) 0.585 29.607 ( 1.734 -0.000 0.000) 1.734 29.744 ( -9.903 0.000 -0.000) 9.903 29.813 ( 10.846 -0.000 0.000) 10.846 30.092 ( 5.706 -0.000 0.000) 5.706 30.333 ( 1.038 -0.000 0.000) 1.038 30.599 ( 3.838 -0.000 0.000) 3.838 31.146 ( 6.488 -0.000 0.000) 6.488 31.493 ( -4.876 0.000 -0.000) 4.876 31.744 ( -0.531 0.000 -0.000) 0.531 32.264 ( -6.068 0.000 -0.000) 6.068 32.586 ( -6.332 0.000 -0.000) 6.332 33.247 ( -0.480 0.000 -0.000) 0.480 34.402 ( 1.720 -0.000 0.000) 1.720 34.829 ( -2.194 0.000 -0.000) 2.194 49.712 ( -0.875 0.000 -0.000) 0.875 49.992 ( 13.640 -0.000 0.000) 13.640 ======================= Grid point 157 (92/105) ======================= q-point: (-0.28 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -31.141 0.000 1.629) 31.183 4.279 ( -9.077 0.000 -31.209) 32.503 5.269 ( -16.419 -0.000 59.477) 61.702 6.317 ( -49.004 0.000 48.578) 69.001 6.736 ( -1.953 0.000 -4.115) 4.555 7.266 ( 8.128 -0.000 -8.976) 12.109 7.509 ( -14.738 0.000 -40.389) 42.994 7.690 ( -10.301 0.000 11.349) 15.327 8.132 ( 0.712 0.000 -9.363) 9.390 8.819 ( -4.497 -0.000 22.297) 22.746 9.634 ( -4.536 0.000 -25.061) 25.468 10.822 ( -0.339 0.000 0.460) 0.572 11.230 ( 4.110 0.000 -45.346) 45.532 11.604 ( -1.664 0.000 -12.779) 12.887 11.826 ( 8.862 -0.000 1.646) 9.014 12.091 ( 24.283 -0.000 32.133) 40.277 12.309 ( -1.121 0.000 -10.985) 11.042 12.554 ( 4.810 -0.000 18.463) 19.079 12.879 ( 21.740 -0.000 9.557) 23.748 13.371 ( -14.994 0.000 1.544) 15.074 13.695 ( -6.468 0.000 -7.530) 9.926 14.040 ( -27.380 0.000 -7.318) 28.341 14.248 ( -6.196 0.000 -20.943) 21.840 14.590 ( -5.924 -0.000 18.116) 19.060 14.655 ( -37.642 0.000 7.439) 38.370 15.416 ( 4.897 0.000 -13.676) 14.526 16.467 ( 3.786 0.000 -8.000) 8.850 16.715 ( 0.489 0.000 -1.881) 1.944 17.152 ( -4.036 0.000 6.285) 7.469 17.179 ( 3.427 -0.000 -5.444) 6.432 17.531 ( 3.650 -0.000 -1.885) 4.108 17.542 ( 8.465 0.000 -28.053) 29.303 17.873 ( -2.810 -0.000 5.811) 6.455 18.012 ( 2.667 0.000 -7.386) 7.853 18.113 ( 4.868 -0.000 10.956) 11.989 18.256 ( 4.995 -0.000 -4.482) 6.711 18.657 ( -2.703 -0.000 15.699) 15.930 18.736 ( -4.601 0.000 -0.950) 4.698 19.065 ( 2.064 0.000 -6.044) 6.386 19.178 ( 0.224 0.000 -0.894) 0.922 19.555 ( -4.562 -0.000 20.963) 21.454 19.705 ( 9.326 -0.000 0.313) 9.331 19.893 ( -9.398 0.000 -7.933) 12.298 20.044 ( -0.435 0.000 -12.155) 12.163 20.055 ( 13.091 -0.000 17.892) 22.170 20.906 ( 17.583 -0.000 9.843) 20.150 20.966 ( 11.491 -0.000 9.839) 15.128 21.206 ( -1.526 0.000 0.510) 1.609 21.420 ( -4.680 -0.000 24.443) 24.887 21.908 ( 5.171 -0.000 6.346) 8.186 21.984 ( 1.095 -0.000 10.158) 10.217 22.043 ( -10.274 0.000 3.455) 10.839 22.252 ( 5.449 -0.000 2.637) 6.053 22.388 ( 0.379 0.000 -4.217) 4.234 22.415 ( -1.840 0.000 -3.037) 3.551 22.565 ( 3.989 0.000 -10.296) 11.042 22.695 ( -2.966 0.000 -6.491) 7.137 23.161 ( 1.813 0.000 -7.428) 7.646 23.343 ( -1.313 -0.000 5.550) 5.703 23.352 ( -7.642 0.000 0.276) 7.647 23.421 ( 10.477 -0.000 9.035) 13.834 23.710 ( 7.792 -0.000 0.513) 7.809 23.730 ( 6.096 -0.000 0.543) 6.120 23.845 ( 3.261 -0.000 -0.629) 3.321 24.184 ( -0.299 0.000 -10.940) 10.944 24.282 ( -13.847 0.000 8.720) 16.364 24.648 ( 9.286 0.000 -20.420) 22.433 25.010 ( 5.711 -0.000 -7.089) 9.103 25.100 ( 3.830 -0.000 -2.964) 4.843 25.570 ( 0.522 -0.000 2.110) 2.173 25.846 ( -7.941 0.000 3.034) 8.501 26.104 ( -4.326 0.000 -6.326) 7.663 26.532 ( 0.912 -0.000 13.904) 13.934 26.950 ( 3.723 -0.000 2.525) 4.498 28.248 ( -5.294 0.000 -4.380) 6.871 28.307 ( -3.085 0.000 0.970) 3.234 28.712 ( -0.540 0.000 -4.920) 4.950 28.905 ( -3.777 0.000 -6.113) 7.185 29.184 ( 1.111 -0.000 8.648) 8.719 29.548 ( 3.674 -0.000 -1.150) 3.850 29.724 ( 2.037 -0.000 -1.285) 2.408 29.767 ( -2.784 -0.000 9.095) 9.511 30.229 ( 1.926 0.000 -9.662) 9.852 30.355 ( 3.366 -0.000 -5.692) 6.613 30.660 ( 6.337 -0.000 2.151) 6.692 30.913 ( 5.656 -0.000 -1.480) 5.847 31.125 ( -2.904 0.000 4.174) 5.085 31.388 ( -7.635 0.000 -2.542) 8.047 31.525 ( 8.001 -0.000 0.187) 8.003 31.808 ( -8.572 0.000 4.319) 9.598 32.352 ( -3.433 -0.000 7.945) 8.655 32.984 ( -5.233 0.000 -5.522) 7.608 34.457 ( 0.696 0.000 -2.778) 2.864 34.762 ( -0.313 -0.000 2.551) 2.570 49.632 ( -0.560 0.000 -1.358) 1.469 50.600 ( 7.759 -0.000 -13.242) 15.348 ======================= Grid point 162 (93/105) ======================= q-point: ( 0.51 -0.51 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( -42.499 -3.420 -0.000) 42.636 4.216 ( -76.054 5.892 -0.000) 76.282 5.751 ( 1.193 -26.257 -0.000) 26.284 6.275 (-105.435 17.354 -0.000) 106.854 6.799 ( 16.468 0.469 0.000) 16.475 6.922 ( -7.149 1.145 -0.000) 7.240 7.914 ( 3.948 0.830 0.000) 4.035 7.922 ( 16.136 6.172 0.000) 17.276 8.438 ( -6.226 -9.506 -0.000) 11.363 9.012 ( 6.541 54.392 0.000) 54.784 9.988 ( -8.813 3.355 -0.000) 9.430 10.492 ( -1.111 0.811 -0.000) 1.375 10.955 ( 28.439 -0.293 0.000) 28.441 11.404 ( 15.490 -1.545 0.000) 15.567 11.673 ( -7.214 -21.150 -0.000) 22.347 11.924 ( -9.911 -19.342 -0.000) 21.733 12.447 ( -2.074 13.724 0.000) 13.879 12.829 ( -14.201 2.435 -0.000) 14.409 12.874 ( 10.591 -9.488 0.000) 14.220 13.579 ( -10.492 21.036 -0.000) 23.507 13.889 ( -19.313 -9.904 -0.000) 21.704 14.433 ( 0.563 -23.137 -0.000) 23.143 14.592 ( -8.372 12.971 -0.000) 15.438 14.682 ( -12.688 -6.897 -0.000) 14.441 15.229 ( 16.287 20.725 0.000) 26.359 15.787 ( -24.281 -18.022 -0.000) 30.239 16.769 ( -2.064 -2.246 -0.000) 3.051 17.040 ( 1.202 -16.112 -0.000) 16.157 17.100 ( -0.246 6.936 0.000) 6.940 17.128 ( 10.074 12.522 0.000) 16.071 17.705 ( -1.078 -8.127 -0.000) 8.198 17.810 ( -12.637 9.327 -0.000) 15.706 18.078 ( 5.990 7.586 0.000) 9.666 18.173 ( -0.894 16.485 0.000) 16.509 18.346 ( -0.791 -7.897 -0.000) 7.937 18.431 ( -6.359 2.109 -0.000) 6.700 18.557 ( -15.674 -5.036 -0.000) 16.463 18.642 ( -11.279 -1.150 -0.000) 11.338 18.677 ( 10.059 -23.959 0.000) 25.985 18.685 ( 4.640 3.595 0.000) 5.870 19.031 ( 31.549 0.134 0.000) 31.550 19.379 ( -3.721 11.801 0.000) 12.374 19.570 ( 23.287 -16.041 0.000) 28.277 20.024 ( 9.421 3.733 0.000) 10.133 20.053 ( 3.176 -3.969 0.000) 5.083 20.428 ( 8.562 7.059 0.000) 11.097 20.543 ( 3.137 -16.765 -0.000) 17.056 20.954 ( 0.904 -10.362 -0.000) 10.401 21.083 ( -2.354 -2.375 -0.000) 3.344 21.744 ( -2.556 -0.060 -0.000) 2.556 21.746 ( -5.949 3.776 -0.000) 7.046 22.108 ( -5.585 18.025 0.000) 18.871 22.266 ( 2.536 15.492 0.000) 15.698 22.299 ( -7.197 5.121 -0.000) 8.833 22.500 ( 9.751 2.259 0.000) 10.009 22.675 ( 2.913 -1.590 0.000) 3.319 22.884 ( -6.540 -3.700 -0.000) 7.514 22.998 ( 7.659 1.630 0.000) 7.831 23.165 ( 1.782 3.031 0.000) 3.516 23.280 ( 3.225 -2.087 0.000) 3.842 23.473 ( -10.369 -4.949 -0.000) 11.489 23.562 ( -0.453 -2.328 -0.000) 2.372 23.882 ( -1.520 0.776 -0.000) 1.706 24.238 ( -15.143 8.917 -0.000) 17.574 24.326 ( 11.238 -17.736 0.000) 20.997 24.357 ( 11.877 -3.167 0.000) 12.292 24.648 ( 27.116 2.087 0.000) 27.196 24.776 ( 19.594 0.284 0.000) 19.596 25.061 ( 7.769 -6.054 0.000) 9.849 25.491 ( -0.894 5.763 0.000) 5.832 25.994 ( -10.268 -3.700 -0.000) 10.915 26.279 ( -10.600 0.359 -0.000) 10.606 26.500 ( -0.439 0.798 -0.000) 0.911 26.666 ( -4.085 0.171 -0.000) 4.089 28.351 ( -3.510 2.649 -0.000) 4.397 28.621 ( 2.920 -1.675 0.000) 3.366 28.661 ( -10.071 1.064 -0.000) 10.127 28.893 ( -4.196 9.087 -0.000) 10.009 29.387 ( 1.532 -2.434 0.000) 2.876 29.471 ( -5.127 -11.602 -0.000) 12.684 29.548 ( 3.824 -0.392 0.000) 3.844 29.712 ( 2.772 -0.161 0.000) 2.777 30.235 ( 10.875 4.223 0.000) 11.666 30.406 ( 8.128 -2.733 0.000) 8.575 30.514 ( 6.574 -1.475 0.000) 6.738 30.702 ( 1.347 11.778 0.000) 11.855 31.163 ( -4.768 -0.763 -0.000) 4.829 31.408 ( 5.478 1.837 0.000) 5.778 31.651 ( -5.672 -6.319 -0.000) 8.491 31.813 ( -11.051 6.736 -0.000) 12.942 32.381 ( -9.282 -7.333 -0.000) 11.829 33.141 ( -2.569 2.544 -0.000) 3.615 34.542 ( 2.650 -4.109 0.000) 4.889 34.696 ( -2.483 3.037 -0.000) 3.923 49.676 ( -0.742 0.294 -0.000) 0.798 50.628 ( 17.340 2.080 0.000) 17.464 ======================= Grid point 169 (94/105) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.000 24.704 0.000) 24.704 2.255 ( 0.000 21.114 0.000) 21.114 2.649 ( 0.000 13.423 0.000) 13.423 6.254 ( -0.000 -21.564 -0.000) 21.564 6.661 ( 0.000 23.869 0.000) 23.869 7.141 ( -0.000 -2.684 -0.000) 2.684 7.580 ( 0.000 92.219 0.000) 92.219 8.002 ( -0.000 -2.892 -0.000) 2.892 8.287 ( 0.000 0.894 0.000) 0.894 8.705 ( -0.000 -31.896 -0.000) 31.896 9.684 ( -0.000 -9.902 -0.000) 9.902 10.594 ( -0.000 -13.483 -0.000) 13.483 11.261 ( 0.000 20.491 0.000) 20.491 11.755 ( -0.000 -32.355 -0.000) 32.355 11.837 ( 0.000 44.796 0.000) 44.796 11.957 ( -0.000 -13.239 -0.000) 13.239 12.535 ( 0.000 1.855 0.000) 1.855 12.541 ( -0.000 -8.372 -0.000) 8.372 12.990 ( -0.000 -2.508 -0.000) 2.508 13.349 ( 0.000 28.284 0.000) 28.284 13.446 ( -0.000 -25.372 -0.000) 25.372 13.476 ( -0.000 -20.285 -0.000) 20.285 15.101 ( 0.000 8.399 0.000) 8.399 15.183 ( -0.000 -3.616 -0.000) 3.616 15.787 ( -0.000 -34.305 -0.000) 34.305 15.954 ( -0.000 -45.305 -0.000) 45.305 16.616 ( 0.000 17.092 0.000) 17.092 16.992 ( 0.000 2.349 0.000) 2.349 16.994 ( 0.000 1.540 0.000) 1.540 17.060 ( 0.000 26.426 0.000) 26.426 17.302 ( 0.000 16.350 0.000) 16.350 17.455 ( -0.000 -23.319 -0.000) 23.319 17.637 ( 0.000 4.096 0.000) 4.096 17.967 ( 0.000 21.110 0.000) 21.110 18.209 ( 0.000 7.473 0.000) 7.473 18.373 ( -0.000 -22.093 -0.000) 22.093 18.512 ( 0.000 25.855 0.000) 25.855 18.636 ( -0.000 -5.597 -0.000) 5.597 18.701 ( 0.000 10.619 0.000) 10.619 18.814 ( 0.000 25.037 0.000) 25.037 19.504 ( 0.000 2.444 0.000) 2.444 19.598 ( -0.000 -52.090 -0.000) 52.090 20.240 ( -0.000 -10.256 -0.000) 10.256 20.537 ( 0.000 3.820 0.000) 3.820 20.614 ( 0.000 3.905 0.000) 3.905 20.754 ( -0.000 -15.952 -0.000) 15.952 20.944 ( -0.000 -3.666 -0.000) 3.666 20.975 ( 0.000 2.338 0.000) 2.338 21.037 ( -0.000 -16.807 -0.000) 16.807 21.300 ( 0.000 29.855 0.000) 29.855 21.488 ( -0.000 -0.782 -0.000) 0.782 21.696 ( -0.000 -0.838 -0.000) 0.838 22.069 ( -0.000 -9.988 -0.000) 9.988 22.457 ( 0.000 0.910 0.000) 0.910 22.582 ( 0.000 2.777 0.000) 2.777 22.767 ( -0.000 -0.834 -0.000) 0.834 22.793 ( 0.000 3.624 0.000) 3.624 22.865 ( 0.000 1.836 0.000) 1.836 23.109 ( -0.000 -0.069 -0.000) 0.069 23.309 ( 0.000 4.178 0.000) 4.178 23.394 ( 0.000 17.685 0.000) 17.685 23.568 ( -0.000 -2.399 -0.000) 2.399 23.768 ( -0.000 -4.678 -0.000) 4.678 23.892 ( -0.000 -5.141 -0.000) 5.141 24.816 ( -0.000 -10.634 -0.000) 10.634 24.827 ( -0.000 -5.271 -0.000) 5.271 25.177 ( 0.000 16.770 0.000) 16.770 25.272 ( 0.000 0.649 0.000) 0.649 25.386 ( -0.000 -9.945 -0.000) 9.945 25.426 ( -0.000 -6.317 -0.000) 6.317 25.793 ( -0.000 -6.335 -0.000) 6.335 25.996 ( -0.000 -0.254 -0.000) 0.254 26.474 ( 0.000 2.952 0.000) 2.952 26.543 ( 0.000 0.810 0.000) 0.810 28.152 ( 0.000 3.619 0.000) 3.619 28.482 ( -0.000 -1.271 -0.000) 1.271 28.546 ( 0.000 11.675 0.000) 11.675 28.703 ( -0.000 -1.854 -0.000) 1.854 29.444 ( -0.000 -0.989 -0.000) 0.989 29.639 ( -0.000 -13.917 -0.000) 13.917 29.642 ( -0.000 -0.810 -0.000) 0.810 29.771 ( 0.000 0.824 0.000) 0.824 30.290 ( 0.000 19.762 0.000) 19.762 30.428 ( 0.000 6.013 0.000) 6.013 30.711 ( -0.000 -7.310 -0.000) 7.310 30.716 ( -0.000 -1.346 -0.000) 1.346 31.266 ( -0.000 -3.289 -0.000) 3.289 31.335 ( 0.000 9.256 0.000) 9.256 31.492 ( 0.000 4.582 0.000) 4.582 31.618 ( -0.000 -10.924 -0.000) 10.924 32.203 ( -0.000 -3.547 -0.000) 3.547 33.038 ( 0.000 2.707 0.000) 2.707 34.572 ( 0.000 4.454 0.000) 4.454 34.694 ( -0.000 -5.375 -0.000) 5.375 49.659 ( 0.000 0.252 0.000) 0.252 51.052 ( -0.000 -0.614 -0.000) 0.614 ======================= Grid point 174 (95/105) ======================= q-point: (-0.31 0.47 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( -42.203 0.000 0.865) 42.212 4.596 ( -58.322 0.000 28.251) 64.804 5.313 ( -4.813 0.000 -13.340) 14.182 6.794 ( 10.961 -0.000 -1.140) 11.020 6.853 ( -86.981 0.000 29.050) 91.704 6.954 ( 2.603 -0.000 2.015) 3.292 7.822 ( -4.944 0.000 -2.787) 5.675 7.930 ( 2.783 -0.000 0.403) 2.812 8.566 ( -6.711 -0.000 15.331) 16.736 9.118 ( -4.912 0.000 -38.403) 38.716 9.918 ( -5.062 0.000 -8.135) 9.581 10.672 ( 3.604 -0.000 8.400) 9.141 10.938 ( 45.263 -0.000 2.075) 45.311 11.391 ( 12.429 -0.000 -5.900) 13.759 11.603 ( -11.810 -0.000 22.014) 24.982 11.804 ( 9.564 -0.000 3.147) 10.068 12.399 ( 1.161 0.000 -22.306) 22.336 12.717 ( -3.611 0.000 -8.464) 9.202 12.793 ( -15.035 0.000 1.358) 15.096 13.690 ( -12.266 0.000 -4.213) 12.969 13.936 ( -10.169 0.000 2.904) 10.576 14.404 ( -5.771 -0.000 14.916) 15.993 14.440 ( 2.074 -0.000 2.486) 3.237 14.829 ( -40.076 0.000 -1.990) 40.126 15.413 ( 12.452 -0.000 -4.906) 13.383 15.475 ( -33.334 0.000 -10.636) 34.990 16.590 ( 0.231 0.000 -9.338) 9.341 16.878 ( 2.703 -0.000 -2.455) 3.651 17.164 ( 5.510 -0.000 -2.662) 6.120 17.221 ( -1.869 0.000 -6.024) 6.307 17.541 ( -0.926 0.000 -3.859) 3.969 17.779 ( -0.440 0.000 -8.139) 8.151 17.879 ( 12.460 0.000 -21.892) 25.189 18.065 ( 5.375 -0.000 -6.084) 8.118 18.121 ( -16.796 0.000 -3.696) 17.198 18.215 ( 10.302 -0.000 -7.426) 12.700 18.554 ( -11.084 0.000 10.992) 15.610 18.653 ( 2.227 -0.000 4.551) 5.066 18.894 ( 17.948 -0.000 4.893) 18.602 19.064 ( 7.027 -0.000 11.277) 13.287 19.253 ( 11.051 -0.000 22.799) 25.337 19.417 ( 14.454 -0.000 4.198) 15.052 19.490 ( -4.774 0.000 2.675) 5.472 20.112 ( 14.338 -0.000 -3.054) 14.659 20.196 ( -7.767 0.000 1.414) 7.895 20.432 ( 0.234 -0.000 15.462) 15.464 20.515 ( 11.299 -0.000 0.605) 11.315 20.981 ( -0.962 -0.000 18.525) 18.549 21.133 ( 2.858 -0.000 4.625) 5.437 21.754 ( -1.244 0.000 2.054) 2.402 21.821 ( -2.591 -0.000 4.473) 5.169 22.213 ( -1.028 0.000 -1.205) 1.584 22.230 ( -9.390 0.000 -0.890) 9.432 22.455 ( 8.252 -0.000 -5.294) 9.804 22.534 ( -0.235 0.000 -8.015) 8.018 22.700 ( -4.461 0.000 -1.703) 4.775 22.822 ( -4.076 0.000 0.699) 4.136 23.031 ( 12.590 -0.000 2.575) 12.850 23.188 ( 11.847 -0.000 -6.117) 13.333 23.247 ( 0.352 -0.000 3.756) 3.773 23.464 ( -13.335 0.000 5.385) 14.381 23.599 ( -1.712 -0.000 4.168) 4.506 23.809 ( -2.334 0.000 -6.136) 6.565 23.919 ( 10.763 -0.000 -15.561) 18.920 24.240 ( 7.567 -0.000 -4.256) 8.682 24.387 ( -9.264 0.000 3.643) 9.954 24.622 ( 21.030 -0.000 -4.267) 21.459 24.904 ( 16.111 -0.000 6.389) 17.331 24.952 ( 8.807 -0.000 -4.913) 10.084 25.573 ( -1.254 0.000 1.786) 2.182 25.957 ( -9.778 0.000 0.735) 9.806 26.356 ( -8.212 0.000 6.935) 10.748 26.356 ( -4.148 0.000 -8.315) 9.292 26.807 ( -0.052 -0.000 7.059) 7.059 28.351 ( -2.300 0.000 -2.028) 3.066 28.496 ( -5.182 0.000 -5.048) 7.234 28.771 ( -3.677 0.000 2.782) 4.611 29.034 ( -0.011 -0.000 3.163) 3.163 29.147 ( -4.770 0.000 -8.377) 9.640 29.499 ( 3.489 -0.000 -0.084) 3.490 29.598 ( -1.435 -0.000 9.639) 9.745 29.696 ( 3.304 -0.000 -1.224) 3.523 30.252 ( 8.698 -0.000 -2.299) 8.997 30.346 ( 6.920 -0.000 -2.906) 7.506 30.503 ( 6.837 -0.000 0.346) 6.846 30.814 ( 6.921 -0.000 -1.362) 7.054 31.173 ( -9.290 0.000 2.520) 9.626 31.405 ( 7.074 -0.000 -2.073) 7.372 31.574 ( -6.898 0.000 -1.166) 6.996 31.923 ( -10.973 0.000 2.929) 11.358 32.337 ( -6.878 0.000 3.363) 7.657 33.147 ( -3.737 0.000 -1.690) 4.101 34.481 ( 2.222 -0.000 -1.775) 2.844 34.740 ( -1.949 0.000 1.284) 2.334 49.670 ( -0.852 0.000 -0.759) 1.141 50.576 ( 15.604 -0.000 -6.487) 16.899 ======================= Grid point 181 (96/105) ======================= q-point: ( 0.48 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 0.154 0.957) 0.969 3.473 ( 0.000 5.612 100.465) 100.622 3.612 ( 0.000 17.318 52.031) 54.837 5.511 ( -0.000 -28.818 -21.514) 35.963 6.777 ( 0.000 1.473 -2.798) 3.162 7.158 ( 0.000 9.691 -1.015) 9.744 7.909 ( -0.000 -13.250 -11.076) 17.269 7.920 ( -0.000 -2.176 -5.630) 6.036 8.604 ( 0.000 1.374 9.024) 9.128 8.825 ( -0.000 -4.387 -49.896) 50.088 9.373 ( 0.000 73.716 -6.127) 73.970 10.770 ( -0.000 -12.357 19.218) 22.848 11.361 ( -0.000 -16.541 10.516) 19.600 11.579 ( -0.000 -8.782 15.733) 18.018 11.884 ( 0.000 2.097 10.944) 11.144 12.293 ( -0.000 -2.293 -8.036) 8.357 12.654 ( -0.000 -3.108 -15.112) 15.428 12.782 ( 0.000 51.031 3.599) 51.158 12.822 ( -0.000 -3.764 -15.937) 16.376 12.974 ( 0.000 -0.121 1.510) 1.515 13.163 ( -0.000 -16.253 6.284) 17.425 13.735 ( 0.000 17.023 -5.356) 17.846 14.718 ( -0.000 -28.666 -6.685) 29.435 14.721 ( -0.000 -24.783 -12.953) 27.963 15.042 ( -0.000 -25.453 -21.063) 33.038 15.512 ( 0.000 20.380 -12.815) 24.074 16.777 ( -0.000 0.086 -13.885) 13.886 16.814 ( -0.000 -4.001 -0.740) 4.069 17.078 ( -0.000 -8.065 1.037) 8.132 17.120 ( 0.000 4.804 7.093) 8.567 17.525 ( 0.000 15.663 -3.293) 16.005 17.618 ( 0.000 9.462 3.874) 10.224 17.981 ( -0.000 -6.794 -1.388) 6.935 18.021 ( 0.000 5.559 22.548) 23.223 18.230 ( 0.000 6.122 -4.102) 7.369 18.471 ( -0.000 -3.962 -15.080) 15.591 18.614 ( -0.000 -41.546 -3.673) 41.708 18.619 ( -0.000 -7.877 9.771) 12.551 18.857 ( 0.000 7.658 25.257) 26.392 18.946 ( 0.000 23.657 -5.314) 24.247 19.209 ( 0.000 13.671 -5.429) 14.710 19.681 ( 0.000 2.653 11.553) 11.853 20.030 ( -0.000 -1.775 0.161) 1.783 20.210 ( -0.000 -6.445 -17.482) 18.632 20.513 ( -0.000 -13.756 -16.998) 21.866 20.809 ( -0.000 -2.286 12.265) 12.476 20.872 ( -0.000 -4.105 19.046) 19.483 20.892 ( -0.000 -4.370 17.510) 18.047 21.103 ( 0.000 0.430 4.885) 4.903 21.717 ( 0.000 -0.838 16.015) 16.037 21.770 ( 0.000 -1.266 8.493) 8.587 21.821 ( 0.000 3.126 2.458) 3.977 22.031 ( 0.000 19.291 -2.828) 19.497 22.485 ( -0.000 -0.586 1.203) 1.338 22.497 ( 0.000 1.371 -7.070) 7.202 22.807 ( 0.000 1.482 -6.923) 7.080 22.830 ( 0.000 1.119 -4.023) 4.175 22.951 ( 0.000 -2.630 14.745) 14.978 23.132 ( 0.000 -0.171 5.981) 5.983 23.386 ( 0.000 3.337 -1.223) 3.554 23.434 ( -0.000 -1.588 -6.311) 6.508 23.701 ( 0.000 10.515 3.000) 10.935 23.736 ( -0.000 -2.811 5.126) 5.846 23.892 ( 0.000 0.798 2.558) 2.679 24.422 ( -0.000 -4.127 -25.602) 25.933 24.510 ( -0.000 -16.662 -2.674) 16.875 25.142 ( -0.000 1.416 -13.438) 13.513 25.203 ( -0.000 -3.861 -3.993) 5.555 25.277 ( -0.000 -1.482 -7.046) 7.201 25.460 ( 0.000 7.898 3.413) 8.604 25.714 ( -0.000 -2.060 1.142) 2.355 26.213 ( 0.000 -0.730 11.922) 11.944 26.258 ( -0.000 -0.335 -6.399) 6.408 26.814 ( 0.000 1.373 11.227) 11.311 28.222 ( 0.000 2.437 0.431) 2.474 28.337 ( -0.000 0.313 -7.942) 7.948 28.714 ( 0.000 5.040 -2.036) 5.436 28.827 ( 0.000 5.731 5.542) 7.973 29.271 ( -0.000 -12.507 -2.482) 12.751 29.574 ( -0.000 -4.284 9.214) 10.162 29.617 ( -0.000 -0.466 -0.997) 1.100 29.771 ( 0.000 0.504 -1.200) 1.301 30.411 ( 0.000 3.638 -7.073) 7.954 30.513 ( 0.000 1.682 -6.305) 6.525 30.655 ( 0.000 4.878 0.869) 4.954 30.798 ( 0.000 6.117 4.147) 7.390 31.177 ( -0.000 -7.620 1.259) 7.723 31.423 ( -0.000 -6.362 -2.585) 6.867 31.522 ( 0.000 6.597 3.158) 7.313 31.586 ( 0.000 2.556 2.119) 3.320 32.196 ( -0.000 -3.243 5.471) 6.360 33.032 ( 0.000 1.321 -4.011) 4.223 34.559 ( -0.000 -2.665 -3.064) 4.061 34.680 ( 0.000 1.997 2.379) 3.106 49.657 ( -0.000 -0.433 -0.445) 0.621 50.932 ( -0.000 0.434 -9.801) 9.810 ======================= Grid point 189 (97/105) ======================= q-point: (-0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( -42.190 0.000 -0.000) 42.190 5.337 ( 7.351 -0.000 0.000) 7.351 5.726 ( -62.260 0.000 -0.000) 62.260 6.421 ( 21.947 -0.000 0.000) 21.947 7.044 ( -6.605 0.000 -0.000) 6.605 7.588 ( 16.171 -0.000 0.000) 16.171 7.821 ( 7.214 -0.000 0.000) 7.214 8.470 ( -82.532 0.000 -0.000) 82.532 8.499 ( -7.149 0.000 -0.000) 7.149 9.191 ( 17.355 -0.000 0.000) 17.355 10.265 ( 31.591 -0.000 0.000) 31.591 10.312 ( 17.445 -0.000 0.000) 17.445 10.377 ( -15.049 0.000 -0.000) 15.049 11.278 ( -2.778 0.000 -0.000) 2.778 11.729 ( -29.103 0.000 -0.000) 29.103 11.860 ( 3.140 -0.000 0.000) 3.140 12.555 ( 10.722 -0.000 0.000) 10.722 12.609 ( 7.059 -0.000 0.000) 7.059 13.162 ( -24.077 0.000 -0.000) 24.077 13.769 ( 6.613 -0.000 0.000) 6.613 14.132 ( 18.274 -0.000 0.000) 18.274 14.137 ( -15.952 0.000 -0.000) 15.952 14.662 ( -35.038 0.000 -0.000) 35.038 15.178 ( 12.155 -0.000 0.000) 12.155 15.623 ( -34.983 0.000 -0.000) 34.983 16.325 ( -40.738 0.000 -0.000) 40.738 16.750 ( 10.917 -0.000 0.000) 10.917 16.759 ( -2.448 0.000 -0.000) 2.448 16.991 ( 21.825 -0.000 0.000) 21.825 17.072 ( 6.437 -0.000 0.000) 6.437 17.610 ( 3.605 -0.000 0.000) 3.605 17.780 ( 23.704 -0.000 0.000) 23.704 18.023 ( 5.457 -0.000 0.000) 5.457 18.081 ( 38.672 -0.000 0.000) 38.672 18.186 ( 8.959 -0.000 0.000) 8.959 18.200 ( -15.401 0.000 -0.000) 15.401 18.468 ( 13.976 -0.000 0.000) 13.976 18.634 ( -14.467 0.000 -0.000) 14.467 18.729 ( -5.957 0.000 -0.000) 5.957 18.852 ( -14.810 0.000 -0.000) 14.810 18.924 ( 21.438 -0.000 0.000) 21.438 19.269 ( -37.277 0.000 -0.000) 37.277 19.578 ( -4.454 0.000 -0.000) 4.454 19.797 ( 18.299 -0.000 0.000) 18.299 20.055 ( -3.941 0.000 -0.000) 3.941 20.450 ( -7.188 0.000 -0.000) 7.188 20.470 ( 0.091 -0.000 0.000) 0.091 20.809 ( -1.712 0.000 -0.000) 1.712 20.946 ( 12.310 -0.000 0.000) 12.310 21.747 ( 8.620 -0.000 0.000) 8.620 21.800 ( -3.242 0.000 -0.000) 3.242 22.303 ( -5.925 0.000 -0.000) 5.925 22.325 ( 9.466 -0.000 0.000) 9.466 22.387 ( -4.324 0.000 -0.000) 4.324 22.619 ( 1.886 -0.000 0.000) 1.886 22.665 ( 8.043 -0.000 0.000) 8.043 22.894 ( -4.175 0.000 -0.000) 4.175 22.953 ( -4.139 0.000 -0.000) 4.139 22.992 ( 11.428 -0.000 0.000) 11.428 23.155 ( 6.575 -0.000 0.000) 6.575 23.505 ( 1.571 -0.000 0.000) 1.571 23.829 ( -20.798 0.000 -0.000) 20.798 23.877 ( 11.587 -0.000 0.000) 11.587 23.935 ( -2.833 0.000 -0.000) 2.833 24.116 ( 25.190 -0.000 0.000) 25.190 24.126 ( 7.506 -0.000 0.000) 7.506 24.418 ( 15.925 -0.000 0.000) 15.925 24.580 ( -10.070 0.000 -0.000) 10.070 24.844 ( 7.746 -0.000 0.000) 7.746 25.571 ( -1.147 0.000 -0.000) 1.147 26.169 ( -10.506 0.000 -0.000) 10.506 26.481 ( -9.169 0.000 -0.000) 9.169 26.507 ( 0.592 -0.000 0.000) 0.592 26.731 ( -2.139 0.000 -0.000) 2.139 28.437 ( -3.388 0.000 -0.000) 3.388 28.526 ( 4.784 -0.000 0.000) 4.784 28.901 ( -11.322 0.000 -0.000) 11.322 29.034 ( -1.767 0.000 -0.000) 1.767 29.324 ( 1.616 -0.000 0.000) 1.616 29.407 ( 4.830 -0.000 0.000) 4.830 29.550 ( -8.617 0.000 -0.000) 8.617 29.651 ( 2.762 -0.000 0.000) 2.762 30.045 ( 12.136 -0.000 0.000) 12.136 30.224 ( 7.556 -0.000 0.000) 7.556 30.387 ( 4.390 -0.000 0.000) 4.390 30.701 ( 6.169 -0.000 0.000) 6.169 31.286 ( 7.535 -0.000 0.000) 7.535 31.347 ( -9.545 0.000 -0.000) 9.545 31.696 ( -4.227 0.000 -0.000) 4.227 32.105 ( -9.856 0.000 -0.000) 9.856 32.452 ( -7.327 0.000 -0.000) 7.327 33.218 ( -2.255 0.000 -0.000) 2.255 34.445 ( 2.652 -0.000 0.000) 2.652 34.780 ( -2.763 0.000 -0.000) 2.763 49.695 ( -0.893 0.000 -0.000) 0.893 50.301 ( 17.350 -0.000 0.000) 17.350 ======================= Grid point 191 (98/105) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.000 -0.000 0.835) 0.835 4.219 ( -0.000 0.000 -39.127) 39.127 5.085 ( 0.000 -0.000 70.827) 70.827 5.749 ( 0.000 -0.000 71.504) 71.504 6.717 ( -0.000 0.000 -3.340) 3.340 7.224 ( -0.000 0.000 -63.055) 63.055 7.474 ( 0.000 -0.000 9.998) 9.998 7.600 ( 0.000 -0.000 6.788) 6.788 8.138 ( -0.000 0.000 -7.383) 7.383 8.795 ( 0.000 -0.000 14.626) 14.626 9.588 ( -0.000 0.000 -36.126) 36.126 10.800 ( 0.000 -0.000 1.401) 1.401 11.338 ( -0.000 0.000 -68.747) 68.747 11.551 ( 0.000 -0.000 15.987) 15.987 11.842 ( 0.000 -0.000 10.085) 10.085 12.146 ( -0.000 0.000 -8.746) 8.746 12.410 ( 0.000 -0.000 26.396) 26.396 12.870 ( 0.000 -0.000 4.226) 4.226 13.087 ( 0.000 -0.000 10.384) 10.384 13.316 ( 0.000 -0.000 18.444) 18.444 13.636 ( -0.000 0.000 -8.873) 8.873 13.653 ( -0.000 0.000 -3.875) 3.875 14.159 ( 0.000 -0.000 6.295) 6.295 14.198 ( -0.000 0.000 -32.447) 32.447 14.527 ( 0.000 -0.000 18.024) 18.024 15.464 ( -0.000 0.000 -17.067) 17.067 16.511 ( -0.000 0.000 -7.513) 7.513 16.716 ( 0.000 -0.000 1.453) 1.453 17.110 ( 0.000 -0.000 4.704) 4.704 17.204 ( -0.000 0.000 -4.000) 4.000 17.572 ( -0.000 0.000 -1.290) 1.290 17.649 ( -0.000 0.000 -30.521) 30.521 17.838 ( 0.000 -0.000 6.400) 6.400 18.039 ( -0.000 0.000 -7.724) 7.724 18.177 ( 0.000 -0.000 9.251) 9.251 18.306 ( -0.000 0.000 -4.562) 4.562 18.632 ( 0.000 -0.000 28.161) 28.161 18.657 ( -0.000 0.000 -1.304) 1.304 19.092 ( -0.000 0.000 -1.388) 1.388 19.147 ( -0.000 0.000 -10.159) 10.159 19.525 ( 0.000 -0.000 24.306) 24.306 19.794 ( -0.000 0.000 -9.608) 9.608 19.920 ( -0.000 0.000 -15.704) 15.704 19.932 ( -0.000 0.000 -4.797) 4.797 20.175 ( 0.000 -0.000 16.254) 16.254 21.068 ( 0.000 -0.000 11.883) 11.883 21.176 ( 0.000 -0.000 2.979) 2.979 21.197 ( 0.000 -0.000 5.323) 5.323 21.317 ( 0.000 -0.000 25.969) 25.969 21.903 ( 0.000 -0.000 7.241) 7.241 21.961 ( 0.000 -0.000 7.107) 7.107 21.999 ( 0.000 -0.000 12.951) 12.951 22.359 ( 0.000 -0.000 6.435) 6.435 22.370 ( -0.000 0.000 -6.709) 6.709 22.385 ( -0.000 0.000 -3.431) 3.431 22.626 ( -0.000 0.000 -11.270) 11.270 22.669 ( -0.000 0.000 -9.195) 9.195 23.187 ( -0.000 0.000 -9.246) 9.246 23.230 ( 0.000 -0.000 10.302) 10.302 23.317 ( 0.000 -0.000 7.088) 7.088 23.520 ( 0.000 -0.000 6.299) 6.299 23.824 ( 0.000 -0.000 5.277) 5.277 23.890 ( -0.000 0.000 -13.199) 13.199 23.893 ( 0.000 -0.000 6.194) 6.194 24.045 ( 0.000 -0.000 9.362) 9.362 24.156 ( -0.000 0.000 -13.215) 13.215 24.758 ( -0.000 0.000 -24.021) 24.021 25.054 ( -0.000 0.000 -7.783) 7.783 25.133 ( -0.000 0.000 -3.714) 3.714 25.609 ( 0.000 -0.000 4.103) 4.103 25.731 ( 0.000 -0.000 1.852) 1.852 26.062 ( -0.000 0.000 -6.935) 6.935 26.549 ( 0.000 -0.000 14.626) 14.626 26.996 ( 0.000 -0.000 4.339) 4.339 28.179 ( -0.000 0.000 -5.116) 5.116 28.283 ( 0.000 -0.000 1.275) 1.275 28.709 ( -0.000 0.000 -5.181) 5.181 28.865 ( -0.000 0.000 -5.906) 5.906 29.195 ( 0.000 -0.000 9.154) 9.154 29.592 ( -0.000 0.000 -0.838) 0.838 29.731 ( 0.000 -0.000 8.505) 8.505 29.745 ( -0.000 0.000 -1.461) 1.461 30.247 ( -0.000 0.000 -11.229) 11.229 30.388 ( -0.000 0.000 -6.002) 6.002 30.729 ( 0.000 -0.000 2.935) 2.935 30.974 ( -0.000 0.000 -1.380) 1.380 31.109 ( 0.000 -0.000 5.413) 5.413 31.293 ( -0.000 0.000 -4.041) 4.041 31.650 ( 0.000 -0.000 1.280) 1.280 31.678 ( 0.000 -0.000 5.265) 5.265 32.316 ( 0.000 -0.000 8.828) 8.828 32.926 ( -0.000 0.000 -7.223) 7.223 34.464 ( -0.000 0.000 -2.970) 2.970 34.759 ( 0.000 -0.000 2.749) 2.749 49.627 ( -0.000 0.000 -1.397) 1.397 50.680 ( -0.000 0.000 -14.425) 14.425 ======================= Grid point 196 (99/105) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -31.739 -1.565 -0.000) 31.778 2.811 ( -62.016 9.254 -0.000) 62.703 4.164 ( -98.313 16.417 -0.000) 99.675 5.754 ( -0.291 -26.328 -0.000) 26.330 6.837 ( -2.641 2.556 -0.000) 3.675 7.057 ( 9.353 1.841 0.000) 9.532 7.956 ( 0.638 -0.862 0.000) 1.073 8.177 ( 9.118 2.703 0.000) 9.510 8.337 ( -3.540 -11.710 -0.000) 12.233 9.248 ( 14.685 76.633 0.000) 78.027 9.700 ( -14.454 -4.723 -0.000) 15.206 10.429 ( -3.825 -4.899 -0.000) 6.216 11.384 ( -8.193 -17.108 -0.000) 18.969 11.605 ( -9.544 -1.414 -0.000) 9.648 11.621 ( 16.441 1.659 0.000) 16.525 11.859 ( 20.903 -5.900 0.000) 21.720 12.583 ( 17.952 0.770 0.000) 17.969 12.608 ( -6.145 1.495 -0.000) 6.324 13.042 ( 5.521 -8.914 0.000) 10.485 13.257 ( -22.968 30.982 -0.000) 38.567 13.501 ( -20.811 -11.157 -0.000) 23.613 14.024 ( -23.098 18.302 -0.000) 29.470 14.651 ( 15.839 -26.924 0.000) 31.237 14.823 ( 2.949 -31.034 -0.000) 31.174 15.434 ( -9.839 -16.699 -0.000) 19.382 15.526 ( 12.972 17.349 0.000) 21.663 16.753 ( 1.537 0.372 0.000) 1.582 17.030 ( -4.488 5.022 -0.000) 6.735 17.047 ( -0.007 -17.202 -0.000) 17.202 17.354 ( 12.395 15.694 0.000) 19.999 17.408 ( -23.122 -2.365 -0.000) 23.243 17.691 ( -6.589 12.872 -0.000) 14.461 17.935 ( -12.973 13.113 -0.000) 18.446 18.062 ( -8.998 -10.825 -0.000) 14.076 18.249 ( 2.884 9.953 0.000) 10.362 18.345 ( -1.237 5.482 0.000) 5.620 18.492 ( 1.956 -11.800 -0.000) 11.961 18.627 ( 0.741 -27.278 -0.000) 27.289 18.769 ( 3.423 0.219 0.000) 3.430 18.904 ( 10.095 11.370 0.000) 15.204 19.307 ( -3.161 15.717 0.000) 16.032 19.471 ( 10.715 3.186 0.000) 11.178 19.933 ( 12.524 -9.195 0.000) 15.537 20.225 ( 11.864 -2.106 0.000) 12.049 20.363 ( 24.803 -8.152 0.000) 26.109 20.594 ( 7.277 3.466 0.000) 8.061 20.603 ( 2.101 -18.698 -0.000) 18.816 20.943 ( -10.645 -1.558 -0.000) 10.759 20.986 ( 2.345 -7.719 -0.000) 8.068 21.564 ( -9.488 0.177 -0.000) 9.490 21.703 ( -1.586 -0.255 -0.000) 1.607 21.957 ( -10.520 12.169 -0.000) 16.086 22.133 ( -6.973 12.052 -0.000) 13.924 22.374 ( 6.854 8.163 0.000) 10.659 22.667 ( 6.190 1.790 0.000) 6.444 22.739 ( -7.831 -2.139 -0.000) 8.118 22.756 ( 6.008 -1.004 0.000) 6.091 23.050 ( -12.433 0.311 -0.000) 12.437 23.141 ( -4.726 -1.039 -0.000) 4.839 23.204 ( 12.546 5.361 0.000) 13.643 23.541 ( -1.320 -2.027 -0.000) 2.419 23.583 ( 7.992 -5.176 0.000) 9.522 23.864 ( -0.420 0.276 -0.000) 0.502 23.916 ( -16.919 9.840 -0.000) 19.572 24.485 ( 5.041 -18.151 -0.000) 18.838 24.607 ( 12.282 -2.548 0.000) 12.544 25.100 ( 17.269 2.860 0.000) 17.504 25.149 ( 15.515 -0.880 0.000) 15.539 25.199 ( 6.729 -4.689 0.000) 8.202 25.462 ( -2.240 5.920 0.000) 6.330 25.804 ( -8.771 -4.374 -0.000) 9.801 26.085 ( -8.320 0.283 -0.000) 8.325 26.504 ( 0.809 1.369 0.000) 1.590 26.589 ( -3.204 0.410 -0.000) 3.230 28.271 ( -4.420 3.134 -0.000) 5.418 28.509 ( -4.805 -0.313 -0.000) 4.815 28.660 ( 1.147 -1.493 0.000) 1.883 28.818 ( -3.101 12.594 0.000) 12.970 29.388 ( -2.897 -14.706 -0.000) 14.989 29.410 ( 0.766 -1.713 0.000) 1.877 29.609 ( 2.063 -0.473 0.000) 2.116 29.763 ( 2.086 0.449 0.000) 2.134 30.416 ( 6.987 3.925 0.000) 8.014 30.545 ( 5.412 -3.827 0.000) 6.628 30.642 ( 5.770 -0.694 0.000) 5.812 30.692 ( -1.598 16.714 0.000) 16.790 31.134 ( 1.418 -6.107 -0.000) 6.270 31.477 ( 0.132 -0.435 -0.000) 0.455 31.558 ( -1.948 -3.489 -0.000) 3.996 31.602 ( -9.678 6.175 -0.000) 11.480 32.212 ( -7.061 -4.697 -0.000) 8.480 33.095 ( -1.874 1.699 -0.000) 2.530 34.588 ( 1.878 -3.659 0.000) 4.112 34.655 ( -1.545 2.761 -0.000) 3.164 49.665 ( -0.346 0.155 -0.000) 0.379 50.923 ( 11.460 0.572 0.000) 11.475 ======================= Grid point 208 (100/105) ======================= q-point: (-0.36 0.53 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -30.489 0.000 0.679) 30.496 3.635 ( -32.293 -0.000 58.792) 67.077 4.969 ( -85.434 0.000 49.260) 98.618 5.258 ( -7.212 0.000 -12.644) 14.556 6.810 ( -1.949 0.000 -3.429) 3.944 7.165 ( 10.887 -0.000 6.502) 12.680 7.780 ( -1.762 0.000 -16.554) 16.648 7.933 ( -2.006 0.000 -2.543) 3.239 8.571 ( 3.169 -0.000 11.253) 11.691 8.909 ( -11.622 0.000 -49.863) 51.199 10.030 ( 12.719 -0.000 -13.984) 18.903 10.667 ( -1.729 -0.000 14.333) 14.437 11.343 ( -9.362 0.000 0.250) 9.365 11.410 ( -3.012 -0.000 23.354) 23.547 11.879 ( 39.581 -0.000 0.190) 39.582 12.058 ( -3.665 -0.000 26.726) 26.977 12.497 ( 13.084 -0.000 -16.203) 20.826 12.557 ( 1.612 0.000 -30.600) 30.643 12.712 ( 4.968 -0.000 5.709) 7.568 13.364 ( -19.353 0.000 -0.533) 19.360 13.835 ( -2.254 0.000 -4.825) 5.325 14.079 ( -32.721 0.000 4.216) 32.992 14.335 ( -16.997 0.000 0.506) 17.005 14.393 ( 2.248 -0.000 2.419) 3.302 14.999 ( -10.636 0.000 -26.430) 28.490 15.644 ( 9.007 -0.000 -7.577) 11.770 16.631 ( 4.115 -0.000 -6.836) 7.979 16.871 ( -3.238 0.000 -7.842) 8.485 17.105 ( -7.524 0.000 -7.657) 10.735 17.180 ( -1.579 -0.000 5.424) 5.649 17.581 ( 4.298 -0.000 0.140) 4.301 17.793 ( -2.958 0.000 -1.479) 3.307 17.913 ( -0.589 -0.000 7.271) 7.294 18.102 ( 8.232 0.000 -14.734) 16.878 18.153 ( 5.282 0.000 -11.327) 12.498 18.290 ( -13.503 0.000 15.213) 20.341 18.383 ( 5.917 0.000 -10.942) 12.439 18.611 ( -5.289 0.000 7.480) 9.161 18.962 ( -2.677 -0.000 30.098) 30.217 19.171 ( 3.723 -0.000 -0.689) 3.786 19.357 ( -0.801 0.000 -6.968) 7.014 19.650 ( 8.665 -0.000 13.318) 15.889 19.766 ( 19.457 -0.000 -5.547) 20.233 20.120 ( -0.351 0.000 -7.226) 7.234 20.330 ( 6.805 -0.000 -11.633) 13.477 20.578 ( 14.025 -0.000 21.719) 25.853 20.722 ( 7.752 -0.000 10.519) 13.067 21.001 ( 3.973 -0.000 11.141) 11.828 21.037 ( -9.741 0.000 11.760) 15.271 21.717 ( -1.494 -0.000 10.725) 10.829 21.773 ( -1.783 -0.000 7.214) 7.431 21.990 ( -14.357 0.000 1.540) 14.439 22.258 ( 3.794 -0.000 -1.417) 4.050 22.510 ( -2.431 0.000 -5.264) 5.799 22.520 ( -0.940 0.000 -7.362) 7.421 22.725 ( 6.982 -0.000 -4.096) 8.095 22.782 ( 0.708 -0.000 -0.136) 0.720 23.130 ( -14.921 0.000 8.929) 17.388 23.183 ( -2.966 -0.000 6.463) 7.111 23.311 ( 11.915 -0.000 2.957) 12.276 23.357 ( 2.950 0.000 -8.410) 8.912 23.663 ( 4.469 -0.000 5.528) 7.108 23.783 ( -0.211 0.000 -4.767) 4.771 24.120 ( -14.798 0.000 7.029) 16.383 24.154 ( 11.980 -0.000 -16.133) 20.095 24.356 ( 3.780 0.000 -10.173) 10.852 24.998 ( 13.986 -0.000 -11.808) 18.305 25.119 ( 6.872 -0.000 -3.292) 7.620 25.168 ( 9.894 -0.000 -1.530) 10.011 25.538 ( -1.783 0.000 1.113) 2.102 25.791 ( -7.202 0.000 2.364) 7.580 26.233 ( -3.688 -0.000 12.845) 13.364 26.283 ( -2.727 0.000 -11.103) 11.434 26.815 ( 0.830 -0.000 10.030) 10.064 28.300 ( -3.599 0.000 -0.121) 3.601 28.375 ( -4.549 0.000 -7.524) 8.793 28.744 ( -0.092 -0.000 3.077) 3.078 29.037 ( 0.213 -0.000 4.005) 4.011 29.051 ( -4.256 0.000 -7.798) 8.884 29.534 ( 0.474 -0.000 7.425) 7.440 29.601 ( 0.998 -0.000 1.637) 1.917 29.753 ( 2.214 -0.000 -1.241) 2.538 30.391 ( 5.144 -0.000 -5.609) 7.611 30.462 ( 4.378 -0.000 -4.144) 6.028 30.635 ( 5.778 -0.000 0.342) 5.788 30.941 ( 5.590 -0.000 -1.063) 5.690 31.029 ( -4.758 0.000 4.384) 6.469 31.436 ( -6.429 0.000 -1.822) 6.682 31.527 ( 4.937 -0.000 -0.647) 4.979 31.719 ( -8.924 0.000 4.002) 9.780 32.215 ( -5.019 0.000 4.853) 6.981 33.077 ( -2.987 0.000 -3.184) 4.366 34.517 ( 1.313 0.000 -2.785) 3.079 34.711 ( -0.928 -0.000 2.264) 2.447 49.657 ( -0.471 0.000 -0.879) 0.998 50.834 ( 9.849 -0.000 -8.493) 13.005 ======================= Grid point 223 (101/105) ======================= q-point: (-0.39 0.39 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -42.146 0.000 -0.000) 42.146 4.264 ( -74.423 0.000 -0.000) 74.423 5.486 ( 1.044 -0.000 0.000) 1.044 6.446 (-109.951 0.000 -0.000) 109.951 6.808 ( 17.186 -0.000 0.000) 17.186 6.930 ( -4.822 0.000 -0.000) 4.822 7.923 ( 3.117 -0.000 0.000) 3.117 7.973 ( 14.150 -0.000 0.000) 14.150 8.356 ( -7.467 0.000 -0.000) 7.467 9.551 ( 21.004 -0.000 0.000) 21.004 10.023 ( -20.031 0.000 -0.000) 20.031 10.545 ( -0.957 0.000 -0.000) 0.957 10.956 ( 43.921 -0.000 0.000) 43.921 11.324 ( -13.286 0.000 -0.000) 13.286 11.470 ( 17.525 -0.000 0.000) 17.525 11.735 ( -10.974 0.000 -0.000) 10.974 12.668 ( -4.118 0.000 -0.000) 4.118 12.789 ( 9.982 -0.000 0.000) 9.982 12.812 ( -12.360 0.000 -0.000) 12.360 13.764 ( -20.876 0.000 -0.000) 20.876 13.863 ( 2.846 -0.000 0.000) 2.846 14.207 ( -5.498 0.000 -0.000) 5.498 14.382 ( 2.513 -0.000 0.000) 2.513 14.866 ( -37.728 0.000 -0.000) 37.728 15.463 ( 15.148 -0.000 0.000) 15.148 15.624 ( -28.005 0.000 -0.000) 28.005 16.718 ( -1.226 0.000 -0.000) 1.226 16.864 ( 1.754 -0.000 0.000) 1.754 17.169 ( -1.234 0.000 -0.000) 1.234 17.251 ( 11.436 -0.000 0.000) 11.436 17.617 ( -4.342 0.000 -0.000) 4.342 17.946 ( -9.667 0.000 -0.000) 9.667 18.110 ( 3.753 -0.000 0.000) 3.753 18.146 ( 13.611 -0.000 0.000) 13.611 18.422 ( 8.228 -0.000 0.000) 8.228 18.423 ( -13.277 0.000 -0.000) 13.277 18.459 ( -3.976 0.000 -0.000) 3.976 18.531 ( -35.517 0.000 -0.000) 35.517 18.647 ( 5.295 -0.000 0.000) 5.295 18.737 ( 11.334 -0.000 0.000) 11.334 19.026 ( 36.272 -0.000 0.000) 36.272 19.399 ( 25.353 -0.000 0.000) 25.353 19.505 ( -3.106 0.000 -0.000) 3.106 20.018 ( 2.645 -0.000 0.000) 2.645 20.120 ( 14.553 -0.000 0.000) 14.553 20.319 ( -5.910 0.000 -0.000) 5.910 20.535 ( 5.642 -0.000 0.000) 5.642 20.810 ( 1.768 -0.000 0.000) 1.768 21.062 ( -1.033 0.000 -0.000) 1.033 21.741 ( -2.625 0.000 -0.000) 2.625 21.775 ( -6.957 0.000 -0.000) 6.957 22.227 ( 0.382 -0.000 0.000) 0.382 22.241 ( -10.583 0.000 -0.000) 10.583 22.528 ( 10.994 -0.000 0.000) 10.994 22.651 ( 1.556 -0.000 0.000) 1.556 22.692 ( -4.810 0.000 -0.000) 4.810 22.784 ( -6.201 0.000 -0.000) 6.201 23.020 ( 10.650 -0.000 0.000) 10.650 23.200 ( -1.327 0.000 -0.000) 1.327 23.254 ( 10.292 -0.000 0.000) 10.292 23.425 ( -15.482 0.000 -0.000) 15.482 23.527 ( 0.156 -0.000 0.000) 0.156 23.889 ( -1.720 0.000 -0.000) 1.720 24.107 ( 10.535 -0.000 0.000) 10.535 24.328 ( 12.303 -0.000 0.000) 12.303 24.334 ( -14.695 0.000 -0.000) 14.695 24.667 ( 28.001 -0.000 0.000) 28.001 24.782 ( 20.058 -0.000 0.000) 20.058 25.006 ( 8.234 -0.000 0.000) 8.234 25.547 ( -1.314 0.000 -0.000) 1.314 25.956 ( -10.730 0.000 -0.000) 10.730 26.283 ( -10.550 0.000 -0.000) 10.550 26.508 ( -0.070 0.000 -0.000) 0.070 26.667 ( -3.964 0.000 -0.000) 3.964 28.375 ( -3.120 0.000 -0.000) 3.120 28.604 ( 3.033 -0.000 0.000) 3.033 28.674 ( -11.002 0.000 -0.000) 11.002 29.013 ( -0.500 0.000 -0.000) 0.500 29.326 ( -8.758 0.000 -0.000) 8.758 29.362 ( 1.984 -0.000 0.000) 1.984 29.545 ( 3.877 -0.000 0.000) 3.877 29.711 ( 3.226 -0.000 0.000) 3.226 30.274 ( 10.782 -0.000 0.000) 10.782 30.377 ( 7.674 -0.000 0.000) 7.674 30.500 ( 6.815 -0.000 0.000) 6.815 30.829 ( 6.595 -0.000 0.000) 6.595 31.145 ( -10.231 0.000 -0.000) 10.231 31.430 ( 6.826 -0.000 0.000) 6.826 31.587 ( -6.601 0.000 -0.000) 6.601 31.889 ( -11.765 0.000 -0.000) 11.765 32.301 ( -7.806 0.000 -0.000) 7.806 33.165 ( -3.012 0.000 -0.000) 3.012 34.502 ( 2.951 -0.000 0.000) 2.951 34.725 ( -2.643 0.000 -0.000) 2.643 49.678 ( -0.750 0.000 -0.000) 0.750 50.646 ( 16.904 -0.000 0.000) 16.904 ======================= Grid point 230 (102/105) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 0.000 12.507 0.000) 12.507 2.406 ( 0.000 1.700 0.000) 1.700 3.022 ( 0.000 18.991 0.000) 18.991 5.750 ( -0.000 -26.636 -0.000) 26.636 6.811 ( 0.000 2.704 0.000) 2.704 7.152 ( 0.000 2.583 0.000) 2.583 7.958 ( -0.000 -1.727 -0.000) 1.727 8.267 ( 0.000 1.345 0.000) 1.345 8.303 ( -0.000 -12.664 -0.000) 12.664 9.435 ( 0.000 90.471 0.000) 90.471 9.545 ( -0.000 -5.017 -0.000) 5.017 10.380 ( -0.000 -8.891 -0.000) 8.891 11.262 ( -0.000 -19.267 -0.000) 19.267 11.477 ( -0.000 -3.298 -0.000) 3.298 11.644 ( -0.000 -15.686 -0.000) 15.686 12.483 ( -0.000 -0.325 -0.000) 0.325 12.552 ( 0.000 1.450 0.000) 1.450 12.741 ( 0.000 51.711 0.000) 51.711 12.963 ( -0.000 -0.679 -0.000) 0.679 13.114 ( -0.000 -11.181 -0.000) 11.181 13.124 ( -0.000 -16.270 -0.000) 16.270 13.792 ( 0.000 17.781 0.000) 17.781 14.824 ( -0.000 -43.872 -0.000) 43.872 14.840 ( -0.000 -25.550 -0.000) 25.550 15.362 ( -0.000 -8.551 -0.000) 8.551 15.675 ( 0.000 12.455 0.000) 12.455 16.830 ( 0.000 6.773 0.000) 6.773 17.016 ( 0.000 0.181 0.000) 0.181 17.021 ( 0.000 1.113 0.000) 1.113 17.047 ( -0.000 -17.861 -0.000) 17.861 17.554 ( 0.000 24.334 0.000) 24.334 17.609 ( 0.000 15.295 0.000) 15.295 17.723 ( 0.000 3.759 0.000) 3.759 18.006 ( -0.000 -15.358 -0.000) 15.358 18.268 ( 0.000 10.259 0.000) 10.259 18.344 ( 0.000 7.784 0.000) 7.784 18.514 ( -0.000 -6.438 -0.000) 6.438 18.632 ( -0.000 -41.205 -0.000) 41.205 18.806 ( -0.000 -1.415 -0.000) 1.415 19.010 ( 0.000 24.970 0.000) 24.970 19.272 ( 0.000 17.041 0.000) 17.041 19.552 ( 0.000 2.239 0.000) 2.239 20.076 ( -0.000 -2.668 -0.000) 2.668 20.421 ( -0.000 -18.767 -0.000) 18.767 20.591 ( 0.000 1.208 0.000) 1.208 20.642 ( 0.000 0.051 0.000) 0.051 20.682 ( -0.000 -16.808 -0.000) 16.808 20.792 ( -0.000 -9.038 -0.000) 9.038 21.041 ( 0.000 3.655 0.000) 3.655 21.463 ( -0.000 -1.580 -0.000) 1.580 21.686 ( -0.000 -0.374 -0.000) 0.374 21.794 ( 0.000 0.335 0.000) 0.335 22.064 ( 0.000 21.548 0.000) 21.548 22.480 ( 0.000 2.187 0.000) 2.187 22.624 ( 0.000 1.659 0.000) 1.659 22.738 ( -0.000 -1.772 -0.000) 1.772 22.859 ( 0.000 3.436 0.000) 3.436 22.890 ( 0.000 0.848 0.000) 0.848 23.075 ( -0.000 -3.608 -0.000) 3.608 23.402 ( 0.000 5.876 0.000) 5.876 23.529 ( -0.000 -1.681 -0.000) 1.681 23.662 ( -0.000 -4.197 -0.000) 4.197 23.668 ( 0.000 11.025 0.000) 11.025 23.861 ( -0.000 -0.213 -0.000) 0.213 24.533 ( -0.000 -17.874 -0.000) 17.874 24.750 ( -0.000 -2.833 -0.000) 2.833 25.243 ( -0.000 -4.404 -0.000) 4.404 25.286 ( 0.000 0.679 0.000) 0.679 25.362 ( -0.000 -1.857 -0.000) 1.857 25.420 ( 0.000 9.045 0.000) 9.045 25.689 ( -0.000 -4.374 -0.000) 4.374 25.994 ( -0.000 -0.018 -0.000) 0.018 26.517 ( 0.000 1.609 0.000) 1.609 26.555 ( 0.000 0.522 0.000) 0.522 28.217 ( 0.000 2.923 0.000) 2.923 28.466 ( -0.000 -0.496 -0.000) 0.496 28.670 ( -0.000 -1.126 -0.000) 1.126 28.785 ( 0.000 13.483 0.000) 13.483 29.360 ( -0.000 -15.604 -0.000) 15.604 29.417 ( -0.000 -1.413 -0.000) 1.413 29.629 ( -0.000 -0.514 -0.000) 0.514 29.784 ( 0.000 0.555 0.000) 0.555 30.488 ( 0.000 3.589 0.000) 3.589 30.598 ( -0.000 -3.525 -0.000) 3.525 30.675 ( 0.000 16.557 0.000) 16.557 30.706 ( -0.000 -0.044 -0.000) 0.044 31.166 ( -0.000 -7.582 -0.000) 7.582 31.451 ( -0.000 -6.599 -0.000) 6.599 31.488 ( 0.000 6.641 0.000) 6.641 31.560 ( 0.000 2.616 0.000) 2.616 32.137 ( -0.000 -3.239 -0.000) 3.239 33.075 ( 0.000 1.318 0.000) 1.318 34.608 ( -0.000 -3.519 -0.000) 3.519 34.640 ( 0.000 2.661 0.000) 2.661 49.662 ( 0.000 0.051 0.000) 0.051 51.041 ( -0.000 -0.472 -0.000) 0.472 ======================= Grid point 244 (103/105) ======================= q-point: (-0.42 0.58 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 -0.000 0.557) 0.557 3.513 ( 0.000 -0.000 94.333) 94.333 3.782 ( 0.000 -0.000 50.361) 50.361 5.218 ( -0.000 0.000 -21.535) 21.535 6.789 ( -0.000 0.000 -3.404) 3.404 7.281 ( 0.000 -0.000 8.029) 8.029 7.760 ( -0.000 0.000 -18.404) 18.404 7.899 ( -0.000 0.000 -6.345) 6.345 8.611 ( 0.000 -0.000 10.916) 10.916 8.784 ( -0.000 0.000 -49.018) 49.018 10.212 ( -0.000 0.000 -28.386) 28.386 10.645 ( 0.000 -0.000 15.696) 15.696 11.209 ( 0.000 -0.000 13.357) 13.357 11.375 ( 0.000 -0.000 23.908) 23.908 11.909 ( 0.000 -0.000 23.941) 23.941 12.295 ( -0.000 0.000 -7.090) 7.090 12.604 ( -0.000 0.000 -37.443) 37.443 12.893 ( -0.000 0.000 -7.061) 7.061 12.919 ( 0.000 -0.000 18.813) 18.813 12.973 ( 0.000 -0.000 2.008) 2.008 13.610 ( 0.000 -0.000 4.723) 4.723 13.815 ( -0.000 0.000 -7.302) 7.302 14.098 ( -0.000 0.000 -0.995) 0.995 14.425 ( -0.000 0.000 -7.289) 7.289 14.934 ( -0.000 0.000 -31.927) 31.927 15.736 ( -0.000 0.000 -8.825) 8.825 16.734 ( -0.000 0.000 -3.937) 3.937 16.770 ( -0.000 0.000 -16.907) 16.907 17.023 ( 0.000 -0.000 4.575) 4.575 17.158 ( 0.000 -0.000 8.240) 8.240 17.639 ( -0.000 0.000 -5.771) 5.771 17.732 ( 0.000 -0.000 3.075) 3.075 17.997 ( 0.000 -0.000 7.410) 7.410 18.089 ( 0.000 -0.000 22.376) 22.376 18.156 ( -0.000 0.000 -4.000) 4.000 18.261 ( -0.000 0.000 -19.068) 19.068 18.445 ( -0.000 0.000 -13.823) 13.823 18.523 ( 0.000 -0.000 7.984) 7.984 18.927 ( 0.000 -0.000 32.525) 32.525 19.208 ( -0.000 0.000 -7.139) 7.139 19.351 ( -0.000 0.000 -8.314) 8.314 19.705 ( 0.000 -0.000 11.340) 11.340 20.027 ( -0.000 0.000 -4.797) 4.797 20.123 ( -0.000 0.000 -5.804) 5.804 20.367 ( -0.000 0.000 -23.674) 23.674 20.747 ( 0.000 -0.000 24.369) 24.369 20.789 ( 0.000 -0.000 12.328) 12.328 20.911 ( 0.000 -0.000 20.446) 20.446 21.111 ( 0.000 -0.000 2.948) 2.948 21.708 ( 0.000 -0.000 16.610) 16.610 21.753 ( 0.000 -0.000 7.560) 7.560 21.785 ( 0.000 -0.000 3.853) 3.853 22.304 ( 0.000 -0.000 0.550) 0.550 22.476 ( -0.000 0.000 -4.604) 4.604 22.509 ( -0.000 0.000 -6.913) 6.913 22.822 ( -0.000 0.000 -6.993) 6.993 22.839 ( -0.000 0.000 -6.102) 6.102 22.922 ( 0.000 -0.000 14.027) 14.027 23.127 ( 0.000 -0.000 8.990) 8.990 23.380 ( -0.000 0.000 -8.680) 8.680 23.475 ( -0.000 0.000 -0.808) 0.808 23.711 ( 0.000 -0.000 5.391) 5.391 23.803 ( 0.000 -0.000 2.716) 2.716 23.910 ( 0.000 -0.000 4.434) 4.434 24.302 ( -0.000 0.000 -2.276) 2.276 24.383 ( -0.000 0.000 -26.229) 26.229 25.156 ( -0.000 0.000 -13.250) 13.250 25.171 ( -0.000 0.000 -3.459) 3.459 25.264 ( -0.000 0.000 -6.924) 6.924 25.536 ( 0.000 -0.000 2.772) 2.772 25.694 ( 0.000 -0.000 2.211) 2.211 26.204 ( 0.000 -0.000 16.754) 16.754 26.257 ( -0.000 0.000 -12.058) 12.058 26.827 ( 0.000 -0.000 11.413) 11.413 28.246 ( -0.000 0.000 -0.273) 0.273 28.340 ( -0.000 0.000 -7.221) 7.221 28.745 ( 0.000 -0.000 2.834) 2.834 29.006 ( -0.000 0.000 -7.386) 7.386 29.040 ( 0.000 -0.000 4.282) 4.282 29.537 ( 0.000 -0.000 9.555) 9.555 29.613 ( -0.000 0.000 -0.956) 0.956 29.776 ( -0.000 0.000 -1.247) 1.247 30.443 ( -0.000 0.000 -7.087) 7.087 30.505 ( -0.000 0.000 -4.774) 4.774 30.697 ( 0.000 -0.000 0.164) 0.164 30.988 ( 0.000 -0.000 5.748) 5.748 31.005 ( -0.000 0.000 -1.329) 1.329 31.362 ( -0.000 0.000 -2.408) 2.408 31.589 ( 0.000 -0.000 3.118) 3.118 31.611 ( 0.000 -0.000 2.062) 2.062 32.162 ( 0.000 -0.000 5.510) 5.510 33.045 ( -0.000 0.000 -4.012) 4.012 34.530 ( -0.000 0.000 -3.176) 3.176 34.702 ( 0.000 -0.000 2.654) 2.654 49.652 ( -0.000 0.000 -0.912) 0.912 50.935 ( -0.000 0.000 -9.294) 9.294 ======================= Grid point 259 (104/105) ======================= q-point: (-0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -30.423 0.000 -0.000) 30.423 2.894 ( -59.996 0.000 -0.000) 59.996 4.325 ( -96.693 0.000 -0.000) 96.693 5.482 ( -0.687 0.000 -0.000) 0.687 6.858 ( -2.440 0.000 -0.000) 2.440 7.081 ( 10.103 -0.000 0.000) 10.103 7.949 ( -0.162 0.000 -0.000) 0.162 8.200 ( 8.091 -0.000 0.000) 8.091 8.235 ( -4.382 0.000 -0.000) 4.382 9.656 ( -15.110 0.000 -0.000) 15.110 10.026 ( 25.706 -0.000 0.000) 25.706 10.479 ( -1.364 0.000 -0.000) 1.364 11.154 ( -4.950 0.000 -0.000) 4.950 11.525 ( -19.382 0.000 -0.000) 19.382 11.551 ( -6.613 0.000 -0.000) 6.613 11.878 ( 46.140 -0.000 0.000) 46.140 12.592 ( 8.417 -0.000 0.000) 8.417 12.653 ( -4.462 0.000 -0.000) 4.462 12.952 ( 6.020 -0.000 0.000) 6.020 13.373 ( -20.369 0.000 -0.000) 20.369 13.893 ( 0.607 -0.000 0.000) 0.607 14.008 ( -32.077 0.000 -0.000) 32.077 14.346 ( -19.500 0.000 -0.000) 19.500 14.378 ( 16.062 -0.000 0.000) 16.062 15.330 ( -3.243 0.000 -0.000) 3.243 15.722 ( 10.198 -0.000 0.000) 10.198 16.741 ( 4.531 -0.000 0.000) 4.531 16.871 ( -0.256 0.000 -0.000) 0.256 17.076 ( -5.638 0.000 -0.000) 5.638 17.379 ( -19.712 0.000 -0.000) 19.712 17.500 ( 13.690 -0.000 0.000) 13.690 17.828 ( -3.644 0.000 -0.000) 3.644 17.988 ( -16.467 0.000 -0.000) 16.467 18.109 ( -16.574 0.000 -0.000) 16.574 18.171 ( 2.356 -0.000 0.000) 2.356 18.328 ( 5.442 -0.000 0.000) 5.442 18.428 ( -0.332 0.000 -0.000) 0.332 18.453 ( -1.077 0.000 -0.000) 1.077 18.711 ( 1.860 -0.000 0.000) 1.860 19.096 ( 18.219 -0.000 0.000) 18.219 19.461 ( -1.353 0.000 -0.000) 1.353 19.504 ( 9.775 -0.000 0.000) 9.775 19.868 ( 20.889 -0.000 0.000) 20.889 20.226 ( -3.299 0.000 -0.000) 3.299 20.264 ( 18.990 -0.000 0.000) 18.990 20.381 ( 12.606 -0.000 0.000) 12.606 20.634 ( 2.837 -0.000 0.000) 2.837 20.900 ( 8.773 -0.000 0.000) 8.773 20.927 ( -11.467 0.000 -0.000) 11.467 21.565 ( -10.948 0.000 -0.000) 10.948 21.699 ( -1.607 0.000 -0.000) 1.607 21.975 ( -15.844 0.000 -0.000) 15.844 22.275 ( 2.602 -0.000 0.000) 2.602 22.585 ( -4.726 0.000 -0.000) 4.726 22.678 ( -3.943 0.000 -0.000) 3.943 22.686 ( 2.080 -0.000 0.000) 2.080 22.745 ( 10.633 -0.000 0.000) 10.633 23.049 ( -13.146 0.000 -0.000) 13.146 23.125 ( -5.805 0.000 -0.000) 5.805 23.276 ( 14.306 -0.000 0.000) 14.306 23.514 ( -1.060 0.000 -0.000) 1.060 23.539 ( 8.826 -0.000 0.000) 8.826 23.866 ( -0.686 0.000 -0.000) 0.686 24.018 ( -16.687 0.000 -0.000) 16.687 24.265 ( 5.336 -0.000 0.000) 5.336 24.583 ( 12.279 -0.000 0.000) 12.279 25.124 ( 16.858 -0.000 0.000) 16.858 25.148 ( 5.558 -0.000 0.000) 5.558 25.153 ( 16.299 -0.000 0.000) 16.299 25.520 ( -1.291 0.000 -0.000) 1.291 25.761 ( -8.866 0.000 -0.000) 8.866 26.088 ( -8.473 0.000 -0.000) 8.473 26.517 ( 1.006 -0.000 0.000) 1.006 26.593 ( -3.102 0.000 -0.000) 3.102 28.302 ( -4.370 0.000 -0.000) 4.370 28.507 ( -5.216 0.000 -0.000) 5.216 28.646 ( 1.321 -0.000 0.000) 1.321 29.009 ( -0.017 0.000 -0.000) 0.017 29.176 ( -5.829 0.000 -0.000) 5.829 29.393 ( 1.043 -0.000 0.000) 1.043 29.604 ( 2.025 -0.000 0.000) 2.025 29.767 ( 2.194 -0.000 0.000) 2.194 30.451 ( 6.765 -0.000 0.000) 6.765 30.508 ( 5.071 -0.000 0.000) 5.071 30.636 ( 6.261 -0.000 0.000) 6.261 30.953 ( 5.679 -0.000 0.000) 5.679 30.976 ( -6.297 0.000 -0.000) 6.297 31.456 ( -6.001 0.000 -0.000) 6.001 31.542 ( 4.211 -0.000 0.000) 4.211 31.667 ( -9.865 0.000 -0.000) 9.865 32.163 ( -5.707 0.000 -0.000) 5.707 33.110 ( -2.221 0.000 -0.000) 2.221 34.553 ( 2.026 -0.000 0.000) 2.026 34.682 ( -1.634 0.000 -0.000) 1.634 49.666 ( -0.432 0.000 -0.000) 0.432 50.927 ( 10.703 -0.000 0.000) 10.703 ======================= Grid point 294 (105/105) ======================= q-point: ( 0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -0.000 -0.000 -0.000) 0.000 2.417 ( -0.000 -0.000 -0.000) 0.000 3.210 ( -0.000 -0.000 -0.000) 0.000 5.474 ( -0.000 -0.000 -0.000) 0.000 6.834 ( -0.000 -0.000 -0.000) 0.000 7.184 ( -0.000 -0.000 -0.000) 0.000 7.941 ( -0.000 -0.000 -0.000) 0.000 8.191 ( -0.000 -0.000 -0.000) 0.000 8.280 ( -0.000 -0.000 -0.000) 0.000 9.498 ( -0.000 -0.000 -0.000) 0.000 10.292 ( -0.000 -0.000 -0.000) 0.000 10.641 ( -0.000 -0.000 -0.000) 0.000 11.079 ( -0.000 -0.000 -0.000) 0.000 11.108 ( -0.000 -0.000 -0.000) 0.000 11.486 ( 0.000 0.000 0.000) 0.000 12.484 ( -0.000 -0.000 -0.000) 0.000 12.613 ( -0.000 -0.000 -0.000) 0.000 12.935 ( 0.000 0.000 0.000) 0.000 12.958 ( -0.000 -0.000 -0.000) 0.000 13.013 ( -0.000 -0.000 -0.000) 0.000 13.552 ( 0.000 0.000 0.000) 0.000 13.898 ( -0.000 -0.000 -0.000) 0.000 14.117 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 15.325 ( -0.000 -0.000 -0.000) 0.000 15.828 ( -0.000 -0.000 -0.000) 0.000 16.867 ( -0.000 -0.000 -0.000) 0.000 16.892 ( -0.000 -0.000 -0.000) 0.000 17.012 ( -0.000 -0.000 -0.000) 0.000 17.031 ( -0.000 -0.000 -0.000) 0.000 17.760 ( -0.000 -0.000 -0.000) 0.000 17.775 ( -0.000 -0.000 -0.000) 0.000 17.819 ( -0.000 -0.000 -0.000) 0.000 17.864 ( 0.000 0.000 0.000) 0.000 18.196 ( -0.000 -0.000 0.000) 0.000 18.379 ( -0.000 -0.000 -0.000) 0.000 18.426 ( 0.000 0.000 0.000) 0.000 18.439 ( -0.000 -0.000 -0.000) 0.000 18.729 ( -0.000 -0.000 -0.000) 0.000 19.295 ( -0.000 -0.000 -0.000) 0.000 19.448 ( -0.000 -0.000 -0.000) 0.000 19.575 ( -0.000 -0.000 -0.000) 0.000 20.113 ( -0.000 -0.000 -0.000) 0.000 20.193 ( -0.000 -0.000 -0.000) 0.000 20.468 ( 0.000 0.000 0.000) 0.000 20.596 ( -0.000 -0.000 -0.000) 0.000 20.640 ( -0.000 -0.000 -0.000) 0.000 20.708 ( -0.000 -0.000 -0.000) 0.000 21.079 ( -0.000 -0.000 -0.000) 0.000 21.445 ( -0.000 -0.000 -0.000) 0.000 21.682 ( -0.000 -0.000 -0.000) 0.000 21.745 ( 0.000 0.000 0.000) 0.000 22.301 ( -0.000 -0.000 -0.000) 0.000 22.535 ( -0.000 -0.000 -0.000) 0.000 22.640 ( -0.000 -0.000 -0.000) 0.000 22.718 ( -0.000 -0.000 -0.000) 0.000 22.897 ( -0.000 -0.000 -0.000) 0.000 22.904 ( -0.000 -0.000 -0.000) 0.000 23.020 ( -0.000 -0.000 -0.000) 0.000 23.494 ( -0.000 -0.000 -0.000) 0.000 23.501 ( 0.000 0.000 0.000) 0.000 23.627 ( -0.000 -0.000 -0.000) 0.000 23.775 ( -0.000 -0.000 -0.000) 0.000 23.860 ( -0.000 -0.000 -0.000) 0.000 24.316 ( -0.000 -0.000 -0.000) 0.000 24.724 ( -0.000 -0.000 -0.000) 0.000 25.205 ( -0.000 -0.000 -0.000) 0.000 25.293 ( -0.000 -0.000 -0.000) 0.000 25.346 ( -0.000 -0.000 -0.000) 0.000 25.505 ( -0.000 -0.000 -0.000) 0.000 25.646 ( -0.000 -0.000 -0.000) 0.000 25.994 ( -0.000 -0.000 -0.000) 0.000 26.532 ( -0.000 -0.000 -0.000) 0.000 26.560 ( -0.000 -0.000 -0.000) 0.000 28.246 ( -0.000 -0.000 -0.000) 0.000 28.462 ( -0.000 -0.000 -0.000) 0.000 28.658 ( -0.000 -0.000 -0.000) 0.000 29.009 ( -0.000 -0.000 -0.000) 0.000 29.116 ( 0.000 0.000 0.000) 0.000 29.403 ( -0.000 -0.000 -0.000) 0.000 29.624 ( -0.000 -0.000 -0.000) 0.000 29.790 ( -0.000 -0.000 -0.000) 0.000 30.520 ( -0.000 -0.000 -0.000) 0.000 30.560 ( -0.000 -0.000 -0.000) 0.000 30.707 ( -0.000 -0.000 -0.000) 0.000 30.913 ( -0.000 -0.000 -0.000) 0.000 31.020 ( 0.000 0.000 0.000) 0.000 31.388 ( -0.000 -0.000 -0.000) 0.000 31.555 ( -0.000 -0.000 -0.000) 0.000 31.585 ( -0.000 -0.000 -0.000) 0.000 32.102 ( -0.000 -0.000 -0.000) 0.000 33.087 ( -0.000 -0.000 -0.000) 0.000 34.574 ( -0.000 -0.000 -0.000) 0.000 34.665 ( -0.000 -0.000 -0.000) 0.000 49.662 ( -0.000 -0.000 -0.000) 0.000 51.036 ( -0.000 -0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/51840 10.0 802.955 5830.022 487.248 0.000 0.000 0.000 3/51840 20.0 596.242 472.097 429.176 -0.000 0.000 0.000 3/51840 30.0 364.670 213.844 232.682 -0.000 0.000 0.000 3/51840 40.0 179.635 148.782 143.745 -0.000 0.000 0.000 3/51840 50.0 111.239 104.673 97.927 -0.000 0.000 0.000 3/51840 60.0 80.103 77.321 73.276 -0.000 0.000 0.000 3/51840 70.0 62.843 60.298 58.789 -0.000 0.000 0.000 3/51840 80.0 52.016 49.167 49.476 -0.000 0.000 0.000 3/51840 90.0 44.642 41.499 43.013 -0.000 0.000 0.000 3/51840 100.0 39.320 35.977 38.248 -0.000 0.000 0.000 3/51840 110.0 35.304 31.855 34.563 -0.000 0.000 0.000 3/51840 120.0 32.166 28.683 31.607 -0.000 0.000 0.000 3/51840 130.0 29.642 26.179 29.169 -0.000 0.000 0.000 3/51840 140.0 27.562 24.158 27.113 -0.000 0.000 0.000 3/51840 150.0 25.812 22.495 25.347 -0.000 0.000 0.000 3/51840 160.0 24.314 21.100 23.810 -0.000 0.000 0.000 3/51840 170.0 23.011 19.913 22.456 -0.000 0.000 0.000 3/51840 180.0 21.863 18.886 21.253 -0.000 0.000 0.000 3/51840 190.0 20.840 17.988 20.175 -0.000 0.000 0.000 3/51840 200.0 19.921 17.192 19.203 -0.000 0.000 0.000 3/51840 210.0 19.088 16.481 18.322 -0.000 0.000 0.000 3/51840 220.0 18.329 15.838 17.519 -0.000 0.000 0.000 3/51840 230.0 17.631 15.254 16.784 -0.000 0.000 0.000 3/51840 240.0 16.988 14.719 16.109 -0.000 0.000 0.000 3/51840 250.0 16.393 14.226 15.487 -0.000 0.000 0.000 3/51840 260.0 15.839 13.770 14.911 -0.000 0.000 0.000 3/51840 270.0 15.323 13.345 14.377 -0.000 0.000 0.000 3/51840 280.0 14.841 12.949 13.881 -0.000 0.000 0.000 3/51840 290.0 14.389 12.577 13.418 -0.000 0.000 0.000 3/51840 300.0 13.963 12.228 12.985 -0.000 0.000 0.000 3/51840 310.0 13.563 11.900 12.580 -0.000 0.000 0.000 3/51840 320.0 13.186 11.589 12.200 -0.000 0.000 0.000 3/51840 330.0 12.829 11.295 11.843 -0.000 0.000 0.000 3/51840 340.0 12.491 11.017 11.506 -0.000 0.000 0.000 3/51840 350.0 12.171 10.752 11.188 -0.000 0.000 0.000 3/51840 360.0 11.866 10.500 10.888 -0.000 0.000 0.000 3/51840 370.0 11.577 10.261 10.604 -0.000 0.000 0.000 3/51840 380.0 11.302 10.032 10.335 -0.000 0.000 0.000 3/51840 390.0 11.040 9.813 10.079 -0.000 0.000 0.000 3/51840 400.0 10.790 9.604 9.836 -0.000 0.000 0.000 3/51840 410.0 10.551 9.404 9.605 -0.000 0.000 0.000 3/51840 420.0 10.322 9.212 9.385 -0.000 0.000 0.000 3/51840 430.0 10.103 9.028 9.175 -0.000 0.000 0.000 3/51840 440.0 9.894 8.851 8.974 -0.000 0.000 0.000 3/51840 450.0 9.693 8.682 8.782 -0.000 0.000 0.000 3/51840 460.0 9.500 8.518 8.599 -0.000 0.000 0.000 3/51840 470.0 9.315 8.361 8.423 -0.000 0.000 0.000 3/51840 480.0 9.137 8.209 8.254 -0.000 0.000 0.000 3/51840 490.0 8.966 8.063 8.093 -0.000 0.000 0.000 3/51840 500.0 8.801 7.923 7.937 -0.000 0.000 0.000 3/51840 510.0 8.642 7.787 7.788 -0.000 0.000 0.000 3/51840 520.0 8.489 7.655 7.644 -0.000 0.000 0.000 3/51840 530.0 8.341 7.528 7.506 -0.000 0.000 0.000 3/51840 540.0 8.199 7.406 7.372 -0.000 0.000 0.000 3/51840 550.0 8.061 7.287 7.244 -0.000 0.000 0.000 3/51840 560.0 7.928 7.172 7.120 -0.000 0.000 0.000 3/51840 570.0 7.799 7.061 7.000 -0.000 0.000 0.000 3/51840 580.0 7.675 6.953 6.885 -0.000 0.000 0.000 3/51840 590.0 7.554 6.848 6.773 -0.000 0.000 0.000 3/51840 600.0 7.437 6.746 6.665 -0.000 0.000 0.000 3/51840 610.0 7.324 6.648 6.560 -0.000 0.000 0.000 3/51840 620.0 7.214 6.552 6.459 -0.000 0.000 0.000 3/51840 630.0 7.108 6.459 6.361 -0.000 0.000 0.000 3/51840 640.0 7.005 6.369 6.265 -0.000 0.000 0.000 3/51840 650.0 6.904 6.281 6.173 -0.000 0.000 0.000 3/51840 660.0 6.807 6.196 6.084 -0.000 0.000 0.000 3/51840 670.0 6.712 6.113 5.997 -0.000 0.000 0.000 3/51840 680.0 6.620 6.032 5.912 -0.000 0.000 0.000 3/51840 690.0 6.531 5.953 5.830 -0.000 0.000 0.000 3/51840 700.0 6.444 5.877 5.751 -0.000 0.000 0.000 3/51840 710.0 6.359 5.802 5.673 -0.000 0.000 0.000 3/51840 720.0 6.276 5.729 5.598 -0.000 0.000 0.000 3/51840 730.0 6.196 5.658 5.524 -0.000 0.000 0.000 3/51840 740.0 6.117 5.589 5.453 -0.000 0.000 0.000 3/51840 750.0 6.041 5.521 5.383 -0.000 0.000 0.000 3/51840 760.0 5.967 5.455 5.316 -0.000 0.000 0.000 3/51840 770.0 5.894 5.391 5.250 -0.000 0.000 0.000 3/51840 780.0 5.823 5.328 5.185 -0.000 0.000 0.000 3/51840 790.0 5.754 5.267 5.122 -0.000 0.000 0.000 3/51840 800.0 5.687 5.207 5.061 -0.000 0.000 0.000 3/51840 810.0 5.621 5.148 5.001 -0.000 0.000 0.000 3/51840 820.0 5.556 5.091 4.943 -0.000 0.000 0.000 3/51840 830.0 5.493 5.035 4.886 -0.000 0.000 0.000 3/51840 840.0 5.432 4.980 4.830 -0.000 0.000 0.000 3/51840 850.0 5.372 4.926 4.776 -0.000 0.000 0.000 3/51840 860.0 5.313 4.874 4.723 -0.000 0.000 0.000 3/51840 870.0 5.256 4.822 4.671 -0.000 0.000 0.000 3/51840 880.0 5.199 4.772 4.620 -0.000 0.000 0.000 3/51840 890.0 5.144 4.723 4.570 -0.000 0.000 0.000 3/51840 900.0 5.090 4.675 4.522 -0.000 0.000 0.000 3/51840 910.0 5.038 4.627 4.474 -0.000 0.000 0.000 3/51840 920.0 4.986 4.581 4.427 -0.000 0.000 0.000 3/51840 930.0 4.936 4.536 4.382 -0.000 0.000 0.000 3/51840 940.0 4.886 4.491 4.337 -0.000 0.000 0.000 3/51840 950.0 4.837 4.448 4.293 -0.000 0.000 0.000 3/51840 960.0 4.790 4.405 4.251 -0.000 0.000 0.000 3/51840 970.0 4.743 4.363 4.209 -0.000 0.000 0.000 3/51840 980.0 4.697 4.322 4.167 -0.000 0.000 0.000 3/51840 990.0 4.653 4.282 4.127 -0.000 0.000 0.000 3/51840 1000.0 4.609 4.242 4.088 -0.000 0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m13180.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:06:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|